data_19274 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19274 _Entry.Title ; Solution structure of the Dictyostelium discodieum Myosin Light Chain, MlcC ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-05-28 _Entry.Accession_date 2013-05-28 _Entry.Last_release_date 2014-12-22 _Entry.Original_release_date 2014-12-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _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.Entry_ID 1 Janine Liburd . D. . 19274 2 Emily Miller . . . 19274 3 David Langelaan . . . 19274 4 Seth Chitayat . . . 19274 5 Scott Crawley . W. . 19274 6 Graham Cote . P. . 19274 7 Steven Smith . P. . 19274 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19274 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'helical bundle' . 19274 'myosin light chain' . 19274 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19274 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 320 19274 '15N chemical shifts' 81 19274 '1H chemical shifts' 509 19274 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 . . 2014-12-22 2013-05-28 original author . 19274 stop_ save_ ############### # Citations # ############### save_MlcC _Citation.Sf_category citations _Citation.Sf_framecode MlcC _Citation.Entry_ID 19274 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution Structure of the Dictyostelium discodieum Myosin Light Chain, MlcC' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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.Entry_ID _Citation_author.Citation_ID 1 Janine Liburd . D. . 19274 1 2 Emily Miller . . . 19274 1 3 David Langelaan . . . 19274 1 4 Seth Chitayat . . . 19274 1 5 Scott Crawley . W. . 19274 1 6 Graham Cote . P. . 19274 1 7 Steven Smith . P. . 19274 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19274 _Assembly.ID 1 _Assembly.Name 'Dictyostelium discodieum Myosin Light Chain, MlcC' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'Dictyostelium discodieum Myosin Light Chain, MlcC' 1 $entity A . yes native no no . . . 19274 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19274 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; GSHMNHINTKAQVIEAFKVF DRDGNGYVTVDYLRKVLNEL GDMMPADEIEEMIYEADPQN SGYVQYETFVGMLFLWD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 77 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8918.021 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no GB EAL62662 . "calcium-binding EF-hand domain-containing protein [Dictyostelium discoideum AX4]" . . . . . 96.10 74 100.00 100.00 2.34e-46 . . . . 19274 1 2 no REF XP_636165 . "calcium-binding EF-hand domain-containing protein [Dictyostelium discoideum AX4]" . . . . . 96.10 74 100.00 100.00 2.34e-46 . . . . 19274 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 . GLY . 19274 1 2 . SER . 19274 1 3 . HIS . 19274 1 4 . MET . 19274 1 5 . ASN . 19274 1 6 . HIS . 19274 1 7 . ILE . 19274 1 8 . ASN . 19274 1 9 . THR . 19274 1 10 . LYS . 19274 1 11 . ALA . 19274 1 12 . GLN . 19274 1 13 . VAL . 19274 1 14 . ILE . 19274 1 15 . GLU . 19274 1 16 . ALA . 19274 1 17 . PHE . 19274 1 18 . LYS . 19274 1 19 . VAL . 19274 1 20 . PHE . 19274 1 21 . ASP . 19274 1 22 . ARG . 19274 1 23 . ASP . 19274 1 24 . GLY . 19274 1 25 . ASN . 19274 1 26 . GLY . 19274 1 27 . TYR . 19274 1 28 . VAL . 19274 1 29 . THR . 19274 1 30 . VAL . 19274 1 31 . ASP . 19274 1 32 . TYR . 19274 1 33 . LEU . 19274 1 34 . ARG . 19274 1 35 . LYS . 19274 1 36 . VAL . 19274 1 37 . LEU . 19274 1 38 . ASN . 19274 1 39 . GLU . 19274 1 40 . LEU . 19274 1 41 . GLY . 19274 1 42 . ASP . 19274 1 43 . MET . 19274 1 44 . MET . 19274 1 45 . PRO . 19274 1 46 . ALA . 19274 1 47 . ASP . 19274 1 48 . GLU . 19274 1 49 . ILE . 19274 1 50 . GLU . 19274 1 51 . GLU . 19274 1 52 . MET . 19274 1 53 . ILE . 19274 1 54 . TYR . 19274 1 55 . GLU . 19274 1 56 . ALA . 19274 1 57 . ASP . 19274 1 58 . PRO . 19274 1 59 . GLN . 19274 1 60 . ASN . 19274 1 61 . SER . 19274 1 62 . GLY . 19274 1 63 . TYR . 19274 1 64 . VAL . 19274 1 65 . GLN . 19274 1 66 . TYR . 19274 1 67 . GLU . 19274 1 68 . THR . 19274 1 69 . PHE . 19274 1 70 . VAL . 19274 1 71 . GLY . 19274 1 72 . MET . 19274 1 73 . LEU . 19274 1 74 . PHE . 19274 1 75 . LEU . 19274 1 76 . TRP . 19274 1 77 . ASP . 19274 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 19274 1 . SER 2 2 19274 1 . HIS 3 3 19274 1 . MET 4 4 19274 1 . ASN 5 5 19274 1 . HIS 6 6 19274 1 . ILE 7 7 19274 1 . ASN 8 8 19274 1 . THR 9 9 19274 1 . LYS 10 10 19274 1 . ALA 11 11 19274 1 . GLN 12 12 19274 1 . VAL 13 13 19274 1 . ILE 14 14 19274 1 . GLU 15 15 19274 1 . ALA 16 16 19274 1 . PHE 17 17 19274 1 . LYS 18 18 19274 1 . VAL 19 19 19274 1 . PHE 20 20 19274 1 . ASP 21 21 19274 1 . ARG 22 22 19274 1 . ASP 23 23 19274 1 . GLY 24 24 19274 1 . ASN 25 25 19274 1 . GLY 26 26 19274 1 . TYR 27 27 19274 1 . VAL 28 28 19274 1 . THR 29 29 19274 1 . VAL 30 30 19274 1 . ASP 31 31 19274 1 . TYR 32 32 19274 1 . LEU 33 33 19274 1 . ARG 34 34 19274 1 . LYS 35 35 19274 1 . VAL 36 36 19274 1 . LEU 37 37 19274 1 . ASN 38 38 19274 1 . GLU 39 39 19274 1 . LEU 40 40 19274 1 . GLY 41 41 19274 1 . ASP 42 42 19274 1 . MET 43 43 19274 1 . MET 44 44 19274 1 . PRO 45 45 19274 1 . ALA 46 46 19274 1 . ASP 47 47 19274 1 . GLU 48 48 19274 1 . ILE 49 49 19274 1 . GLU 50 50 19274 1 . GLU 51 51 19274 1 . MET 52 52 19274 1 . ILE 53 53 19274 1 . TYR 54 54 19274 1 . GLU 55 55 19274 1 . ALA 56 56 19274 1 . ASP 57 57 19274 1 . PRO 58 58 19274 1 . GLN 59 59 19274 1 . ASN 60 60 19274 1 . SER 61 61 19274 1 . GLY 62 62 19274 1 . TYR 63 63 19274 1 . VAL 64 64 19274 1 . GLN 65 65 19274 1 . TYR 66 66 19274 1 . GLU 67 67 19274 1 . THR 68 68 19274 1 . PHE 69 69 19274 1 . VAL 70 70 19274 1 . GLY 71 71 19274 1 . MET 72 72 19274 1 . LEU 73 73 19274 1 . PHE 74 74 19274 1 . LEU 75 75 19274 1 . TRP 76 76 19274 1 . ASP 77 77 19274 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 19274 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 19274 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 19274 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28a . . . . . . 19274 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19274 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity 'natural abundance' . . 1 $entity . . 1 . . mM . . . . 19274 1 2 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 19274 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19274 1 4 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 19274 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19274 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19274 _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 pH 6.8 . pH 19274 1 pressure 1 . atm 19274 1 temperature 303 . K 19274 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19274 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19274 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19274 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19274 _Software.ID 2 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19274 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19274 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 19274 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 19274 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19274 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19274 _Software.ID 4 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19274 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19274 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19274 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19274 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 19274 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 500 . . . 19274 1 2 spectrometer_2 Varian INOVA . 800 . . . 19274 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 19274 _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 . . . . . . . . . . . . . . . . . . . . . 19274 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19274 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19274 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19274 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19274 1 6 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19274 1 7 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19274 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19274 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19274 1 10 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19274 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19274 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external direct 1.0000000 . . . . . . . . . 19274 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0000000 . . . . . . . . . 19274 1 N 15 DSS 'methyl protons' . . . . ppm 0 external direct 1.0000000 . . . . . . . . . 19274 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19274 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19274 1 2 '3D CBCA(CO)NH' . . . 19274 1 3 '3D HNCO' . . . 19274 1 4 '3D HNCACB' . . . 19274 1 5 '3D 1H-15N NOESY' . . . 19274 1 6 '3D 1H-13C NOESY aliphatic' . . . 19274 1 7 '3D 1H-13C NOESY aromatic' . . . 19274 1 8 '3D HCCH-TOCSY' . . . 19274 1 9 '3D H(CCO)NH' . . . 19274 1 10 '3D C(CO)NH' . . . 19274 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 3 3 HIS HB2 H 1 3.150 0.000 . 2 . . . A 3 HIS HB2 . 19274 1 2 . 1 1 3 3 HIS HB3 H 1 2.890 0.000 . 2 . . . A 3 HIS HB3 . 19274 1 3 . 1 1 3 3 HIS CA C 13 55.070 0.000 . 1 . . . A 3 HIS CA . 19274 1 4 . 1 1 3 3 HIS CB C 13 31.760 0.000 . 1 . . . A 3 HIS CB . 19274 1 5 . 1 1 4 4 MET H H 1 8.380 0.000 . 1 . . . A 4 MET H . 19274 1 6 . 1 1 4 4 MET HA H 1 4.390 0.000 . 1 . . . A 4 MET HA . 19274 1 7 . 1 1 4 4 MET HB2 H 1 2.010 0.000 . 2 . . . A 4 MET HB2 . 19274 1 8 . 1 1 4 4 MET HB3 H 1 2.010 0.000 . 2 . . . A 4 MET HB3 . 19274 1 9 . 1 1 4 4 MET HG2 H 1 2.280 0.000 . 2 . . . A 4 MET HG2 . 19274 1 10 . 1 1 4 4 MET HG3 H 1 2.110 0.000 . 2 . . . A 4 MET HG3 . 19274 1 11 . 1 1 4 4 MET CA C 13 55.160 0.000 . 1 . . . A 4 MET CA . 19274 1 12 . 1 1 4 4 MET CB C 13 32.400 0.000 . 1 . . . A 4 MET CB . 19274 1 13 . 1 1 4 4 MET CG C 13 31.630 0.000 . 1 . . . A 4 MET CG . 19274 1 14 . 1 1 4 4 MET N N 15 120.140 0.000 . 1 . . . A 4 MET N . 19274 1 15 . 1 1 5 5 ASN H H 1 8.360 0.000 . 1 . . . A 5 ASN H . 19274 1 16 . 1 1 5 5 ASN HD21 H 1 6.940 0.000 . 2 . . . A 5 ASN HD21 . 19274 1 17 . 1 1 5 5 ASN HD22 H 1 7.600 0.000 . 2 . . . A 5 ASN HD22 . 19274 1 18 . 1 1 5 5 ASN CA C 13 53.670 0.000 . 1 . . . A 5 ASN CA . 19274 1 19 . 1 1 5 5 ASN CB C 13 38.690 0.000 . 1 . . . A 5 ASN CB . 19274 1 20 . 1 1 5 5 ASN N N 15 119.370 0.000 . 1 . . . A 5 ASN N . 19274 1 21 . 1 1 5 5 ASN ND2 N 15 112.710 0.000 . 1 . . . A 5 ASN ND2 . 19274 1 22 . 1 1 6 6 HIS HA H 1 4.700 0.000 . 1 . . . A 6 HIS HA . 19274 1 23 . 1 1 6 6 HIS HB2 H 1 3.190 0.000 . 2 . . . A 6 HIS HB2 . 19274 1 24 . 1 1 6 6 HIS HB3 H 1 3.190 0.000 . 2 . . . A 6 HIS HB3 . 19274 1 25 . 1 1 6 6 HIS C C 13 174.900 0.000 . 1 . . . A 6 HIS C . 19274 1 26 . 1 1 6 6 HIS CA C 13 56.100 0.000 . 1 . . . A 6 HIS CA . 19274 1 27 . 1 1 6 6 HIS CB C 13 29.920 0.000 . 1 . . . A 6 HIS CB . 19274 1 28 . 1 1 7 7 ILE H H 1 8.090 0.000 . 1 . . . A 7 ILE H . 19274 1 29 . 1 1 7 7 ILE HA H 1 4.080 0.000 . 1 . . . A 7 ILE HA . 19274 1 30 . 1 1 7 7 ILE HB H 1 1.840 0.000 . 1 . . . A 7 ILE HB . 19274 1 31 . 1 1 7 7 ILE HG12 H 1 1.430 0.000 . 2 . . . A 7 ILE HG12 . 19274 1 32 . 1 1 7 7 ILE HG13 H 1 1.100 0.000 . 2 . . . A 7 ILE HG13 . 19274 1 33 . 1 1 7 7 ILE HG21 H 1 0.870 0.000 . 1 . . . A 7 ILE HG21 . 19274 1 34 . 1 1 7 7 ILE HG22 H 1 0.870 0.000 . 1 . . . A 7 ILE HG22 . 19274 1 35 . 1 1 7 7 ILE HG23 H 1 0.870 0.000 . 1 . . . A 7 ILE HG23 . 19274 1 36 . 1 1 7 7 ILE HD11 H 1 0.830 0.000 . 1 . . . A 7 ILE HD11 . 19274 1 37 . 1 1 7 7 ILE HD12 H 1 0.830 0.000 . 1 . . . A 7 ILE HD12 . 19274 1 38 . 1 1 7 7 ILE HD13 H 1 0.830 0.000 . 1 . . . A 7 ILE HD13 . 19274 1 39 . 1 1 7 7 ILE C C 13 175.940 0.000 . 1 . . . A 7 ILE C . 19274 1 40 . 1 1 7 7 ILE CA C 13 61.711 0.000 . 1 . . . A 7 ILE CA . 19274 1 41 . 1 1 7 7 ILE CB C 13 38.560 0.000 . 1 . . . A 7 ILE CB . 19274 1 42 . 1 1 7 7 ILE CG1 C 13 27.380 0.000 . 1 . . . A 7 ILE CG1 . 19274 1 43 . 1 1 7 7 ILE CG2 C 13 17.720 0.000 . 1 . . . A 7 ILE CG2 . 19274 1 44 . 1 1 7 7 ILE CD1 C 13 13.210 0.000 . 1 . . . A 7 ILE CD1 . 19274 1 45 . 1 1 7 7 ILE N N 15 121.430 0.000 . 1 . . . A 7 ILE N . 19274 1 46 . 1 1 8 8 ASN H H 1 8.520 0.000 . 1 . . . A 8 ASN H . 19274 1 47 . 1 1 8 8 ASN HA H 1 4.880 0.000 . 1 . . . A 8 ASN HA . 19274 1 48 . 1 1 8 8 ASN HB2 H 1 2.820 0.000 . 2 . . . A 8 ASN HB2 . 19274 1 49 . 1 1 8 8 ASN HB3 H 1 2.820 0.000 . 2 . . . A 8 ASN HB3 . 19274 1 50 . 1 1 8 8 ASN HD21 H 1 6.930 0.000 . 2 . . . A 8 ASN HD21 . 19274 1 51 . 1 1 8 8 ASN HD22 H 1 7.590 0.000 . 2 . . . A 8 ASN HD22 . 19274 1 52 . 1 1 8 8 ASN C C 13 175.360 0.000 . 1 . . . A 8 ASN C . 19274 1 53 . 1 1 8 8 ASN CA C 13 53.630 0.000 . 1 . . . A 8 ASN CA . 19274 1 54 . 1 1 8 8 ASN CB C 13 39.590 0.000 . 1 . . . A 8 ASN CB . 19274 1 55 . 1 1 8 8 ASN N N 15 121.280 0.000 . 1 . . . A 8 ASN N . 19274 1 56 . 1 1 8 8 ASN ND2 N 15 112.230 0.000 . 1 . . . A 8 ASN ND2 . 19274 1 57 . 1 1 9 9 THR H H 1 8.020 0.000 . 1 . . . A 9 THR H . 19274 1 58 . 1 1 9 9 THR HA H 1 4.370 0.000 . 1 . . . A 9 THR HA . 19274 1 59 . 1 1 9 9 THR HB H 1 4.400 0.000 . 1 . . . A 9 THR HB . 19274 1 60 . 1 1 9 9 THR HG21 H 1 1.270 0.000 . 1 . . . A 9 THR HG21 . 19274 1 61 . 1 1 9 9 THR HG22 H 1 1.270 0.000 . 1 . . . A 9 THR HG22 . 19274 1 62 . 1 1 9 9 THR HG23 H 1 1.270 0.000 . 1 . . . A 9 THR HG23 . 19274 1 63 . 1 1 9 9 THR C C 13 174.690 0.000 . 1 . . . A 9 THR C . 19274 1 64 . 1 1 9 9 THR CA C 13 62.100 0.000 . 1 . . . A 9 THR CA . 19274 1 65 . 1 1 9 9 THR CB C 13 71.021 0.000 . 1 . . . A 9 THR CB . 19274 1 66 . 1 1 9 9 THR CG2 C 13 22.140 0.000 . 1 . . . A 9 THR CG2 . 19274 1 67 . 1 1 9 9 THR N N 15 112.710 0.000 . 1 . . . A 9 THR N . 19274 1 68 . 1 1 10 10 LYS H H 1 8.390 0.000 . 1 . . . A 10 LYS H . 19274 1 69 . 1 1 10 10 LYS HA H 1 3.260 0.000 . 1 . . . A 10 LYS HA . 19274 1 70 . 1 1 10 10 LYS HB2 H 1 1.550 0.000 . 2 . . . A 10 LYS HB2 . 19274 1 71 . 1 1 10 10 LYS HB3 H 1 1.250 0.000 . 2 . . . A 10 LYS HB3 . 19274 1 72 . 1 1 10 10 LYS HG2 H 1 1.130 0.000 . 2 . . . A 10 LYS HG2 . 19274 1 73 . 1 1 10 10 LYS HG3 H 1 1.000 0.000 . 2 . . . A 10 LYS HG3 . 19274 1 74 . 1 1 10 10 LYS HD2 H 1 1.570 0.000 . 2 . . . A 10 LYS HD2 . 19274 1 75 . 1 1 10 10 LYS HD3 H 1 1.570 0.000 . 2 . . . A 10 LYS HD3 . 19274 1 76 . 1 1 10 10 LYS HE2 H 1 2.860 0.000 . 2 . . . A 10 LYS HE2 . 19274 1 77 . 1 1 10 10 LYS HE3 H 1 2.860 0.000 . 2 . . . A 10 LYS HE3 . 19274 1 78 . 1 1 10 10 LYS C C 13 177.710 0.000 . 1 . . . A 10 LYS C . 19274 1 79 . 1 1 10 10 LYS CA C 13 60.200 0.000 . 1 . . . A 10 LYS CA . 19274 1 80 . 1 1 10 10 LYS CB C 13 32.070 0.000 . 1 . . . A 10 LYS CB . 19274 1 81 . 1 1 10 10 LYS CG C 13 25.380 0.000 . 1 . . . A 10 LYS CG . 19274 1 82 . 1 1 10 10 LYS CD C 13 29.700 0.000 . 1 . . . A 10 LYS CD . 19274 1 83 . 1 1 10 10 LYS CE C 13 42.180 0.000 . 1 . . . A 10 LYS CE . 19274 1 84 . 1 1 10 10 LYS N N 15 122.130 0.000 . 1 . . . A 10 LYS N . 19274 1 85 . 1 1 11 11 ALA H H 1 8.120 0.000 . 1 . . . A 11 ALA H . 19274 1 86 . 1 1 11 11 ALA HA H 1 4.040 0.000 . 1 . . . A 11 ALA HA . 19274 1 87 . 1 1 11 11 ALA HB1 H 1 1.420 0.000 . 1 . . . A 11 ALA HB1 . 19274 1 88 . 1 1 11 11 ALA HB2 H 1 1.420 0.000 . 1 . . . A 11 ALA HB2 . 19274 1 89 . 1 1 11 11 ALA HB3 H 1 1.420 0.000 . 1 . . . A 11 ALA HB3 . 19274 1 90 . 1 1 11 11 ALA C C 13 180.540 0.000 . 1 . . . A 11 ALA C . 19274 1 91 . 1 1 11 11 ALA CA C 13 54.991 0.000 . 1 . . . A 11 ALA CA . 19274 1 92 . 1 1 11 11 ALA CB C 13 18.050 0.000 . 1 . . . A 11 ALA CB . 19274 1 93 . 1 1 11 11 ALA N N 15 118.760 0.000 . 1 . . . A 11 ALA N . 19274 1 94 . 1 1 12 12 GLN H H 1 7.700 0.000 . 1 . . . A 12 GLN H . 19274 1 95 . 1 1 12 12 GLN HA H 1 4.040 0.000 . 1 . . . A 12 GLN HA . 19274 1 96 . 1 1 12 12 GLN HB2 H 1 2.290 0.000 . 2 . . . A 12 GLN HB2 . 19274 1 97 . 1 1 12 12 GLN HB3 H 1 2.090 0.000 . 2 . . . A 12 GLN HB3 . 19274 1 98 . 1 1 12 12 GLN HG2 H 1 2.420 0.000 . 2 . . . A 12 GLN HG2 . 19274 1 99 . 1 1 12 12 GLN HG3 H 1 2.420 0.000 . 2 . . . A 12 GLN HG3 . 19274 1 100 . 1 1 12 12 GLN HE21 H 1 6.870 0.000 . 2 . . . A 12 GLN HE21 . 19274 1 101 . 1 1 12 12 GLN HE22 H 1 7.530 0.000 . 2 . . . A 12 GLN HE22 . 19274 1 102 . 1 1 12 12 GLN C C 13 178.940 0.000 . 1 . . . A 12 GLN C . 19274 1 103 . 1 1 12 12 GLN CA C 13 58.561 0.000 . 1 . . . A 12 GLN CA . 19274 1 104 . 1 1 12 12 GLN CB C 13 29.120 0.000 . 1 . . . A 12 GLN CB . 19274 1 105 . 1 1 12 12 GLN CG C 13 34.590 0.000 . 1 . . . A 12 GLN CG . 19274 1 106 . 1 1 12 12 GLN N N 15 116.840 0.000 . 1 . . . A 12 GLN N . 19274 1 107 . 1 1 12 12 GLN NE2 N 15 111.600 0.000 . 1 . . . A 12 GLN NE2 . 19274 1 108 . 1 1 13 13 VAL H H 1 7.990 0.000 . 1 . . . A 13 VAL H . 19274 1 109 . 1 1 13 13 VAL HA H 1 3.460 0.000 . 1 . . . A 13 VAL HA . 19274 1 110 . 1 1 13 13 VAL HB H 1 2.160 0.000 . 1 . . . A 13 VAL HB . 19274 1 111 . 1 1 13 13 VAL HG11 H 1 0.870 0.000 . 2 . . . A 13 VAL HG11 . 19274 1 112 . 1 1 13 13 VAL HG12 H 1 0.870 0.000 . 2 . . . A 13 VAL HG12 . 19274 1 113 . 1 1 13 13 VAL HG13 H 1 0.870 0.000 . 2 . . . A 13 VAL HG13 . 19274 1 114 . 1 1 13 13 VAL HG21 H 1 0.950 0.000 . 2 . . . A 13 VAL HG21 . 19274 1 115 . 1 1 13 13 VAL HG22 H 1 0.950 0.000 . 2 . . . A 13 VAL HG22 . 19274 1 116 . 1 1 13 13 VAL HG23 H 1 0.950 0.000 . 2 . . . A 13 VAL HG23 . 19274 1 117 . 1 1 13 13 VAL C C 13 176.920 0.000 . 1 . . . A 13 VAL C . 19274 1 118 . 1 1 13 13 VAL CA C 13 66.491 0.000 . 1 . . . A 13 VAL CA . 19274 1 119 . 1 1 13 13 VAL CB C 13 31.310 0.000 . 1 . . . A 13 VAL CB . 19274 1 120 . 1 1 13 13 VAL CG1 C 13 23.000 0.000 . 1 . . . A 13 VAL CG1 . 19274 1 121 . 1 1 13 13 VAL CG2 C 13 23.520 0.000 . 1 . . . A 13 VAL CG2 . 19274 1 122 . 1 1 13 13 VAL N N 15 121.610 0.000 . 1 . . . A 13 VAL N . 19274 1 123 . 1 1 14 14 ILE H H 1 8.220 0.000 . 1 . . . A 14 ILE H . 19274 1 124 . 1 1 14 14 ILE HA H 1 3.800 0.000 . 1 . . . A 14 ILE HA . 19274 1 125 . 1 1 14 14 ILE HB H 1 2.100 0.000 . 1 . . . A 14 ILE HB . 19274 1 126 . 1 1 14 14 ILE HG12 H 1 1.890 0.000 . 2 . . . A 14 ILE HG12 . 19274 1 127 . 1 1 14 14 ILE HG13 H 1 1.340 0.000 . 2 . . . A 14 ILE HG13 . 19274 1 128 . 1 1 14 14 ILE HG21 H 1 1.120 0.000 . 1 . . . A 14 ILE HG21 . 19274 1 129 . 1 1 14 14 ILE HG22 H 1 1.120 0.000 . 1 . . . A 14 ILE HG22 . 19274 1 130 . 1 1 14 14 ILE HG23 H 1 1.120 0.000 . 1 . . . A 14 ILE HG23 . 19274 1 131 . 1 1 14 14 ILE HD11 H 1 1.000 0.000 . 1 . . . A 14 ILE HD11 . 19274 1 132 . 1 1 14 14 ILE HD12 H 1 1.000 0.000 . 1 . . . A 14 ILE HD12 . 19274 1 133 . 1 1 14 14 ILE HD13 H 1 1.000 0.000 . 1 . . . A 14 ILE HD13 . 19274 1 134 . 1 1 14 14 ILE C C 13 178.130 0.000 . 1 . . . A 14 ILE C . 19274 1 135 . 1 1 14 14 ILE CA C 13 65.410 0.000 . 1 . . . A 14 ILE CA . 19274 1 136 . 1 1 14 14 ILE CB C 13 37.170 0.000 . 1 . . . A 14 ILE CB . 19274 1 137 . 1 1 14 14 ILE CG1 C 13 29.910 0.000 . 1 . . . A 14 ILE CG1 . 19274 1 138 . 1 1 14 14 ILE CG2 C 13 17.720 0.000 . 1 . . . A 14 ILE CG2 . 19274 1 139 . 1 1 14 14 ILE CD1 C 13 12.480 0.000 . 1 . . . A 14 ILE CD1 . 19274 1 140 . 1 1 14 14 ILE N N 15 118.850 0.000 . 1 . . . A 14 ILE N . 19274 1 141 . 1 1 15 15 GLU H H 1 7.940 0.000 . 1 . . . A 15 GLU H . 19274 1 142 . 1 1 15 15 GLU HA H 1 3.960 0.000 . 1 . . . A 15 GLU HA . 19274 1 143 . 1 1 15 15 GLU HB2 H 1 2.090 0.000 . 2 . . . A 15 GLU HB2 . 19274 1 144 . 1 1 15 15 GLU HB3 H 1 2.090 0.000 . 2 . . . A 15 GLU HB3 . 19274 1 145 . 1 1 15 15 GLU HG2 H 1 2.370 0.000 . 2 . . . A 15 GLU HG2 . 19274 1 146 . 1 1 15 15 GLU HG3 H 1 2.370 0.000 . 2 . . . A 15 GLU HG3 . 19274 1 147 . 1 1 15 15 GLU C C 13 178.310 0.000 . 1 . . . A 15 GLU C . 19274 1 148 . 1 1 15 15 GLU CA C 13 59.340 0.000 . 1 . . . A 15 GLU CA . 19274 1 149 . 1 1 15 15 GLU CB C 13 29.260 0.000 . 1 . . . A 15 GLU CB . 19274 1 150 . 1 1 15 15 GLU CG C 13 36.120 0.000 . 1 . . . A 15 GLU CG . 19274 1 151 . 1 1 15 15 GLU N N 15 118.090 0.000 . 1 . . . A 15 GLU N . 19274 1 152 . 1 1 16 16 ALA H H 1 7.560 0.000 . 1 . . . A 16 ALA H . 19274 1 153 . 1 1 16 16 ALA HA H 1 4.130 0.000 . 1 . . . A 16 ALA HA . 19274 1 154 . 1 1 16 16 ALA HB1 H 1 1.360 0.000 . 1 . . . A 16 ALA HB1 . 19274 1 155 . 1 1 16 16 ALA HB2 H 1 1.360 0.000 . 1 . . . A 16 ALA HB2 . 19274 1 156 . 1 1 16 16 ALA HB3 H 1 1.360 0.000 . 1 . . . A 16 ALA HB3 . 19274 1 157 . 1 1 16 16 ALA C C 13 180.840 0.000 . 1 . . . A 16 ALA C . 19274 1 158 . 1 1 16 16 ALA CA C 13 54.801 0.000 . 1 . . . A 16 ALA CA . 19274 1 159 . 1 1 16 16 ALA CB C 13 17.790 0.000 . 1 . . . A 16 ALA CB . 19274 1 160 . 1 1 16 16 ALA N N 15 120.860 0.000 . 1 . . . A 16 ALA N . 19274 1 161 . 1 1 17 17 PHE H H 1 7.730 0.000 . 1 . . . A 17 PHE H . 19274 1 162 . 1 1 17 17 PHE HA H 1 4.390 0.000 . 1 . . . A 17 PHE HA . 19274 1 163 . 1 1 17 17 PHE HB2 H 1 2.570 0.000 . 2 . . . A 17 PHE HB2 . 19274 1 164 . 1 1 17 17 PHE HB3 H 1 1.850 0.000 . 2 . . . A 17 PHE HB3 . 19274 1 165 . 1 1 17 17 PHE HD1 H 1 7.070 0.000 . 1 . . . A 17 PHE HD1 . 19274 1 166 . 1 1 17 17 PHE HD2 H 1 7.070 0.000 . 1 . . . A 17 PHE HD2 . 19274 1 167 . 1 1 17 17 PHE HE1 H 1 6.700 0.000 . 1 . . . A 17 PHE HE1 . 19274 1 168 . 1 1 17 17 PHE HE2 H 1 6.700 0.000 . 1 . . . A 17 PHE HE2 . 19274 1 169 . 1 1 17 17 PHE HZ H 1 6.930 0.000 . 1 . . . A 17 PHE HZ . 19274 1 170 . 1 1 17 17 PHE C C 13 177.550 0.000 . 1 . . . A 17 PHE C . 19274 1 171 . 1 1 17 17 PHE CA C 13 59.931 0.000 . 1 . . . A 17 PHE CA . 19274 1 172 . 1 1 17 17 PHE CB C 13 37.890 0.000 . 1 . . . A 17 PHE CB . 19274 1 173 . 1 1 17 17 PHE CD1 C 13 130.050 0.000 . 1 . . . A 17 PHE CD1 . 19274 1 174 . 1 1 17 17 PHE CD2 C 13 130.050 0.000 . 1 . . . A 17 PHE CD2 . 19274 1 175 . 1 1 17 17 PHE CE1 C 13 133.010 0.000 . 1 . . . A 17 PHE CE1 . 19274 1 176 . 1 1 17 17 PHE CE2 C 13 133.010 0.000 . 1 . . . A 17 PHE CE2 . 19274 1 177 . 1 1 17 17 PHE CZ C 13 127.250 0.000 . 1 . . . A 17 PHE CZ . 19274 1 178 . 1 1 17 17 PHE N N 15 116.830 0.000 . 1 . . . A 17 PHE N . 19274 1 179 . 1 1 18 18 LYS H H 1 8.290 0.000 . 1 . . . A 18 LYS H . 19274 1 180 . 1 1 18 18 LYS HA H 1 3.970 0.000 . 1 . . . A 18 LYS HA . 19274 1 181 . 1 1 18 18 LYS HB2 H 1 1.910 0.000 . 2 . . . A 18 LYS HB2 . 19274 1 182 . 1 1 18 18 LYS HB3 H 1 1.910 0.000 . 2 . . . A 18 LYS HB3 . 19274 1 183 . 1 1 18 18 LYS HG2 H 1 1.790 0.000 . 2 . . . A 18 LYS HG2 . 19274 1 184 . 1 1 18 18 LYS HG3 H 1 1.650 0.000 . 2 . . . A 18 LYS HG3 . 19274 1 185 . 1 1 18 18 LYS HD2 H 1 1.770 0.000 . 2 . . . A 18 LYS HD2 . 19274 1 186 . 1 1 18 18 LYS HD3 H 1 1.770 0.000 . 2 . . . A 18 LYS HD3 . 19274 1 187 . 1 1 18 18 LYS HE2 H 1 3.020 0.000 . 2 . . . A 18 LYS HE2 . 19274 1 188 . 1 1 18 18 LYS HE3 H 1 3.020 0.000 . 2 . . . A 18 LYS HE3 . 19274 1 189 . 1 1 18 18 LYS C C 13 178.860 0.000 . 1 . . . A 18 LYS C . 19274 1 190 . 1 1 18 18 LYS CA C 13 59.631 0.000 . 1 . . . A 18 LYS CA . 19274 1 191 . 1 1 18 18 LYS CB C 13 32.460 0.000 . 1 . . . A 18 LYS CB . 19274 1 192 . 1 1 18 18 LYS CG C 13 25.650 0.000 . 1 . . . A 18 LYS CG . 19274 1 193 . 1 1 18 18 LYS CD C 13 29.500 0.000 . 1 . . . A 18 LYS CD . 19274 1 194 . 1 1 18 18 LYS CE C 13 42.210 0.000 . 1 . . . A 18 LYS CE . 19274 1 195 . 1 1 18 18 LYS N N 15 119.360 0.000 . 1 . . . A 18 LYS N . 19274 1 196 . 1 1 19 19 VAL H H 1 7.400 0.000 . 1 . . . A 19 VAL H . 19274 1 197 . 1 1 19 19 VAL HA H 1 3.650 0.000 . 1 . . . A 19 VAL HA . 19274 1 198 . 1 1 19 19 VAL HB H 1 1.880 0.000 . 1 . . . A 19 VAL HB . 19274 1 199 . 1 1 19 19 VAL HG11 H 1 0.660 0.000 . 2 . . . A 19 VAL HG11 . 19274 1 200 . 1 1 19 19 VAL HG12 H 1 0.660 0.000 . 2 . . . A 19 VAL HG12 . 19274 1 201 . 1 1 19 19 VAL HG13 H 1 0.660 0.000 . 2 . . . A 19 VAL HG13 . 19274 1 202 . 1 1 19 19 VAL HG21 H 1 0.910 0.000 . 2 . . . A 19 VAL HG21 . 19274 1 203 . 1 1 19 19 VAL HG22 H 1 0.910 0.000 . 2 . . . A 19 VAL HG22 . 19274 1 204 . 1 1 19 19 VAL HG23 H 1 0.910 0.000 . 2 . . . A 19 VAL HG23 . 19274 1 205 . 1 1 19 19 VAL C C 13 177.020 0.000 . 1 . . . A 19 VAL C . 19274 1 206 . 1 1 19 19 VAL CA C 13 65.051 0.000 . 1 . . . A 19 VAL CA . 19274 1 207 . 1 1 19 19 VAL CB C 13 31.990 0.000 . 1 . . . A 19 VAL CB . 19274 1 208 . 1 1 19 19 VAL CG1 C 13 20.890 0.000 . 1 . . . A 19 VAL CG1 . 19274 1 209 . 1 1 19 19 VAL CG2 C 13 22.110 0.000 . 1 . . . A 19 VAL CG2 . 19274 1 210 . 1 1 19 19 VAL N N 15 116.479 0.000 . 1 . . . A 19 VAL N . 19274 1 211 . 1 1 20 20 PHE H H 1 7.260 0.000 . 1 . . . A 20 PHE H . 19274 1 212 . 1 1 20 20 PHE HA H 1 4.330 0.000 . 1 . . . A 20 PHE HA . 19274 1 213 . 1 1 20 20 PHE HB2 H 1 3.130 0.000 . 2 . . . A 20 PHE HB2 . 19274 1 214 . 1 1 20 20 PHE HB3 H 1 2.590 0.000 . 2 . . . A 20 PHE HB3 . 19274 1 215 . 1 1 20 20 PHE HD1 H 1 6.805 0.000 . 1 . . . A 20 PHE HD1 . 19274 1 216 . 1 1 20 20 PHE HD2 H 1 6.805 0.000 . 1 . . . A 20 PHE HD2 . 19274 1 217 . 1 1 20 20 PHE C C 13 175.750 0.000 . 1 . . . A 20 PHE C . 19274 1 218 . 1 1 20 20 PHE CA C 13 58.791 0.000 . 1 . . . A 20 PHE CA . 19274 1 219 . 1 1 20 20 PHE CB C 13 39.980 0.000 . 1 . . . A 20 PHE CB . 19274 1 220 . 1 1 20 20 PHE CD1 C 13 130.740 0.000 . 1 . . . A 20 PHE CD1 . 19274 1 221 . 1 1 20 20 PHE CD2 C 13 130.740 0.000 . 1 . . . A 20 PHE CD2 . 19274 1 222 . 1 1 20 20 PHE N N 15 118.120 0.000 . 1 . . . A 20 PHE N . 19274 1 223 . 1 1 21 21 ASP H H 1 7.910 0.000 . 1 . . . A 21 ASP H . 19274 1 224 . 1 1 21 21 ASP HA H 1 5.130 0.000 . 1 . . . A 21 ASP HA . 19274 1 225 . 1 1 21 21 ASP HB2 H 1 3.210 0.000 . 2 . . . A 21 ASP HB2 . 19274 1 226 . 1 1 21 21 ASP HB3 H 1 2.800 0.000 . 2 . . . A 21 ASP HB3 . 19274 1 227 . 1 1 21 21 ASP C C 13 176.520 0.000 . 1 . . . A 21 ASP C . 19274 1 228 . 1 1 21 21 ASP CA C 13 52.540 0.000 . 1 . . . A 21 ASP CA . 19274 1 229 . 1 1 21 21 ASP CB C 13 39.980 0.000 . 1 . . . A 21 ASP CB . 19274 1 230 . 1 1 21 21 ASP N N 15 120.640 0.000 . 1 . . . A 21 ASP N . 19274 1 231 . 1 1 22 22 ARG H H 1 8.120 0.000 . 1 . . . A 22 ARG H . 19274 1 232 . 1 1 22 22 ARG HA H 1 4.130 0.000 . 1 . . . A 22 ARG HA . 19274 1 233 . 1 1 22 22 ARG HB2 H 1 1.920 0.000 . 2 . . . A 22 ARG HB2 . 19274 1 234 . 1 1 22 22 ARG HB3 H 1 1.920 0.000 . 2 . . . A 22 ARG HB3 . 19274 1 235 . 1 1 22 22 ARG HG2 H 1 1.750 0.000 . 2 . . . A 22 ARG HG2 . 19274 1 236 . 1 1 22 22 ARG HG3 H 1 1.750 0.000 . 2 . . . A 22 ARG HG3 . 19274 1 237 . 1 1 22 22 ARG HD2 H 1 3.280 0.000 . 2 . . . A 22 ARG HD2 . 19274 1 238 . 1 1 22 22 ARG HD3 H 1 3.280 0.000 . 2 . . . A 22 ARG HD3 . 19274 1 239 . 1 1 22 22 ARG C C 13 177.980 0.000 . 1 . . . A 22 ARG C . 19274 1 240 . 1 1 22 22 ARG CA C 13 58.431 0.000 . 1 . . . A 22 ARG CA . 19274 1 241 . 1 1 22 22 ARG CB C 13 30.390 0.000 . 1 . . . A 22 ARG CB . 19274 1 242 . 1 1 22 22 ARG CG C 13 26.900 0.000 . 1 . . . A 22 ARG CG . 19274 1 243 . 1 1 22 22 ARG CD C 13 43.210 0.000 . 1 . . . A 22 ARG CD . 19274 1 244 . 1 1 22 22 ARG N N 15 124.740 0.000 . 1 . . . A 22 ARG N . 19274 1 245 . 1 1 23 23 ASP H H 1 8.670 0.000 . 1 . . . A 23 ASP H . 19274 1 246 . 1 1 23 23 ASP HA H 1 4.750 0.000 . 1 . . . A 23 ASP HA . 19274 1 247 . 1 1 23 23 ASP HB2 H 1 2.820 0.000 . 2 . . . A 23 ASP HB2 . 19274 1 248 . 1 1 23 23 ASP HB3 H 1 2.690 0.000 . 2 . . . A 23 ASP HB3 . 19274 1 249 . 1 1 23 23 ASP C C 13 176.750 0.000 . 1 . . . A 23 ASP C . 19274 1 250 . 1 1 23 23 ASP CA C 13 54.721 0.000 . 1 . . . A 23 ASP CA . 19274 1 251 . 1 1 23 23 ASP CB C 13 41.220 0.000 . 1 . . . A 23 ASP CB . 19274 1 252 . 1 1 23 23 ASP N N 15 116.400 0.000 . 1 . . . A 23 ASP N . 19274 1 253 . 1 1 24 24 GLY H H 1 8.000 0.000 . 1 . . . A 24 GLY H . 19274 1 254 . 1 1 24 24 GLY HA2 H 1 3.900 0.000 . 2 . . . A 24 GLY HA2 . 19274 1 255 . 1 1 24 24 GLY HA3 H 1 3.970 0.000 . 2 . . . A 24 GLY HA3 . 19274 1 256 . 1 1 24 24 GLY C C 13 175.410 0.000 . 1 . . . A 24 GLY C . 19274 1 257 . 1 1 24 24 GLY CA C 13 47.064 0.000 . 1 . . . A 24 GLY CA . 19274 1 258 . 1 1 24 24 GLY N N 15 110.310 0.000 . 1 . . . A 24 GLY N . 19274 1 259 . 1 1 25 25 ASN H H 1 9.250 0.000 . 1 . . . A 25 ASN H . 19274 1 260 . 1 1 25 25 ASN HA H 1 4.860 0.000 . 1 . . . A 25 ASN HA . 19274 1 261 . 1 1 25 25 ASN HB2 H 1 3.110 0.000 . 2 . . . A 25 ASN HB2 . 19274 1 262 . 1 1 25 25 ASN HB3 H 1 2.810 0.000 . 2 . . . A 25 ASN HB3 . 19274 1 263 . 1 1 25 25 ASN HD21 H 1 6.990 0.000 . 2 . . . A 25 ASN HD21 . 19274 1 264 . 1 1 25 25 ASN HD22 H 1 7.590 0.000 . 2 . . . A 25 ASN HD22 . 19274 1 265 . 1 1 25 25 ASN C C 13 176.610 0.000 . 1 . . . A 25 ASN C . 19274 1 266 . 1 1 25 25 ASN CA C 13 53.150 0.000 . 1 . . . A 25 ASN CA . 19274 1 267 . 1 1 25 25 ASN CB C 13 39.430 0.000 . 1 . . . A 25 ASN CB . 19274 1 268 . 1 1 25 25 ASN N N 15 118.870 0.000 . 1 . . . A 25 ASN N . 19274 1 269 . 1 1 25 25 ASN ND2 N 15 111.830 0.000 . 1 . . . A 25 ASN ND2 . 19274 1 270 . 1 1 26 26 GLY H H 1 10.110 0.000 . 1 . . . A 26 GLY H . 19274 1 271 . 1 1 26 26 GLY HA2 H 1 3.220 0.000 . 2 . . . A 26 GLY HA2 . 19274 1 272 . 1 1 26 26 GLY HA3 H 1 3.950 0.000 . 2 . . . A 26 GLY HA3 . 19274 1 273 . 1 1 26 26 GLY C C 13 173.300 0.000 . 1 . . . A 26 GLY C . 19274 1 274 . 1 1 26 26 GLY CA C 13 45.590 0.000 . 1 . . . A 26 GLY CA . 19274 1 275 . 1 1 26 26 GLY N N 15 110.130 0.000 . 1 . . . A 26 GLY N . 19274 1 276 . 1 1 27 27 TYR H H 1 8.010 0.000 . 1 . . . A 27 TYR H . 19274 1 277 . 1 1 27 27 TYR HA H 1 5.650 0.000 . 1 . . . A 27 TYR HA . 19274 1 278 . 1 1 27 27 TYR HB2 H 1 2.990 0.000 . 2 . . . A 27 TYR HB2 . 19274 1 279 . 1 1 27 27 TYR HB3 H 1 2.830 0.000 . 2 . . . A 27 TYR HB3 . 19274 1 280 . 1 1 27 27 TYR HD1 H 1 6.805 0.000 . 1 . . . A 27 TYR HD1 . 19274 1 281 . 1 1 27 27 TYR HD2 H 1 6.805 0.000 . 1 . . . A 27 TYR HD2 . 19274 1 282 . 1 1 27 27 TYR HE1 H 1 6.770 0.000 . 1 . . . A 27 TYR HE1 . 19274 1 283 . 1 1 27 27 TYR HE2 H 1 6.770 0.000 . 1 . . . A 27 TYR HE2 . 19274 1 284 . 1 1 27 27 TYR C C 13 176.130 0.000 . 1 . . . A 27 TYR C . 19274 1 285 . 1 1 27 27 TYR CA C 13 57.291 0.000 . 1 . . . A 27 TYR CA . 19274 1 286 . 1 1 27 27 TYR CB C 13 41.490 0.000 . 1 . . . A 27 TYR CB . 19274 1 287 . 1 1 27 27 TYR CD1 C 13 132.120 0.000 . 1 . . . A 27 TYR CD1 . 19274 1 288 . 1 1 27 27 TYR CD2 C 13 132.120 0.000 . 1 . . . A 27 TYR CD2 . 19274 1 289 . 1 1 27 27 TYR CE1 C 13 117.400 0.000 . 1 . . . A 27 TYR CE1 . 19274 1 290 . 1 1 27 27 TYR CE2 C 13 117.400 0.000 . 1 . . . A 27 TYR CE2 . 19274 1 291 . 1 1 27 27 TYR N N 15 118.030 0.000 . 1 . . . A 27 TYR N . 19274 1 292 . 1 1 28 28 VAL H H 1 8.810 0.000 . 1 . . . A 28 VAL H . 19274 1 293 . 1 1 28 28 VAL HA H 1 5.140 0.000 . 1 . . . A 28 VAL HA . 19274 1 294 . 1 1 28 28 VAL HB H 1 2.210 0.000 . 1 . . . A 28 VAL HB . 19274 1 295 . 1 1 28 28 VAL HG11 H 1 0.840 0.000 . 2 . . . A 28 VAL HG11 . 19274 1 296 . 1 1 28 28 VAL HG12 H 1 0.840 0.000 . 2 . . . A 28 VAL HG12 . 19274 1 297 . 1 1 28 28 VAL HG13 H 1 0.840 0.000 . 2 . . . A 28 VAL HG13 . 19274 1 298 . 1 1 28 28 VAL HG21 H 1 1.010 0.000 . 2 . . . A 28 VAL HG21 . 19274 1 299 . 1 1 28 28 VAL HG22 H 1 1.010 0.000 . 2 . . . A 28 VAL HG22 . 19274 1 300 . 1 1 28 28 VAL HG23 H 1 1.010 0.000 . 2 . . . A 28 VAL HG23 . 19274 1 301 . 1 1 28 28 VAL C C 13 175.330 0.000 . 1 . . . A 28 VAL C . 19274 1 302 . 1 1 28 28 VAL CA C 13 59.091 0.000 . 1 . . . A 28 VAL CA . 19274 1 303 . 1 1 28 28 VAL CB C 13 36.340 0.000 . 1 . . . A 28 VAL CB . 19274 1 304 . 1 1 28 28 VAL CG1 C 13 19.569 0.000 . 1 . . . A 28 VAL CG1 . 19274 1 305 . 1 1 28 28 VAL CG2 C 13 22.680 0.000 . 1 . . . A 28 VAL CG2 . 19274 1 306 . 1 1 28 28 VAL N N 15 111.260 0.000 . 1 . . . A 28 VAL N . 19274 1 307 . 1 1 29 29 THR H H 1 7.450 0.000 . 1 . . . A 29 THR H . 19274 1 308 . 1 1 29 29 THR HA H 1 4.680 0.000 . 1 . . . A 29 THR HA . 19274 1 309 . 1 1 29 29 THR HB H 1 4.570 0.000 . 1 . . . A 29 THR HB . 19274 1 310 . 1 1 29 29 THR HG21 H 1 1.330 0.000 . 1 . . . A 29 THR HG21 . 19274 1 311 . 1 1 29 29 THR HG22 H 1 1.330 0.000 . 1 . . . A 29 THR HG22 . 19274 1 312 . 1 1 29 29 THR HG23 H 1 1.330 0.000 . 1 . . . A 29 THR HG23 . 19274 1 313 . 1 1 29 29 THR C C 13 176.260 0.000 . 1 . . . A 29 THR C . 19274 1 314 . 1 1 29 29 THR CA C 13 60.761 0.000 . 1 . . . A 29 THR CA . 19274 1 315 . 1 1 29 29 THR CB C 13 69.981 0.000 . 1 . . . A 29 THR CB . 19274 1 316 . 1 1 29 29 THR CG2 C 13 23.210 0.000 . 1 . . . A 29 THR CG2 . 19274 1 317 . 1 1 29 29 THR N N 15 111.560 0.000 . 1 . . . A 29 THR N . 19274 1 318 . 1 1 30 30 VAL H H 1 7.990 0.000 . 1 . . . A 30 VAL H . 19274 1 319 . 1 1 30 30 VAL HA H 1 3.560 0.000 . 1 . . . A 30 VAL HA . 19274 1 320 . 1 1 30 30 VAL HB H 1 1.920 0.000 . 1 . . . A 30 VAL HB . 19274 1 321 . 1 1 30 30 VAL HG11 H 1 0.890 0.000 . 2 . . . A 30 VAL HG11 . 19274 1 322 . 1 1 30 30 VAL HG12 H 1 0.890 0.000 . 2 . . . A 30 VAL HG12 . 19274 1 323 . 1 1 30 30 VAL HG13 H 1 0.890 0.000 . 2 . . . A 30 VAL HG13 . 19274 1 324 . 1 1 30 30 VAL HG21 H 1 0.890 0.000 . 2 . . . A 30 VAL HG21 . 19274 1 325 . 1 1 30 30 VAL HG22 H 1 0.890 0.000 . 2 . . . A 30 VAL HG22 . 19274 1 326 . 1 1 30 30 VAL HG23 H 1 0.890 0.000 . 2 . . . A 30 VAL HG23 . 19274 1 327 . 1 1 30 30 VAL C C 13 177.080 0.000 . 1 . . . A 30 VAL C . 19274 1 328 . 1 1 30 30 VAL CA C 13 65.941 0.000 . 1 . . . A 30 VAL CA . 19274 1 329 . 1 1 30 30 VAL CB C 13 31.400 0.000 . 1 . . . A 30 VAL CB . 19274 1 330 . 1 1 30 30 VAL CG1 C 13 21.950 0.000 . 1 . . . A 30 VAL CG1 . 19274 1 331 . 1 1 30 30 VAL CG2 C 13 21.950 0.000 . 1 . . . A 30 VAL CG2 . 19274 1 332 . 1 1 30 30 VAL N N 15 119.990 0.000 . 1 . . . A 30 VAL N . 19274 1 333 . 1 1 31 31 ASP H H 1 8.060 0.000 . 1 . . . A 31 ASP H . 19274 1 334 . 1 1 31 31 ASP HA H 1 4.320 0.000 . 1 . . . A 31 ASP HA . 19274 1 335 . 1 1 31 31 ASP HB2 H 1 2.460 0.000 . 2 . . . A 31 ASP HB2 . 19274 1 336 . 1 1 31 31 ASP HB3 H 1 2.460 0.000 . 2 . . . A 31 ASP HB3 . 19274 1 337 . 1 1 31 31 ASP C C 13 178.650 0.000 . 1 . . . A 31 ASP C . 19274 1 338 . 1 1 31 31 ASP CA C 13 57.411 0.000 . 1 . . . A 31 ASP CA . 19274 1 339 . 1 1 31 31 ASP CB C 13 40.710 0.000 . 1 . . . A 31 ASP CB . 19274 1 340 . 1 1 31 31 ASP N N 15 117.730 0.000 . 1 . . . A 31 ASP N . 19274 1 341 . 1 1 32 32 TYR H H 1 7.760 0.000 . 1 . . . A 32 TYR H . 19274 1 342 . 1 1 32 32 TYR HA H 1 4.200 0.000 . 1 . . . A 32 TYR HA . 19274 1 343 . 1 1 32 32 TYR HB2 H 1 2.860 0.000 . 2 . . . A 32 TYR HB2 . 19274 1 344 . 1 1 32 32 TYR HB3 H 1 2.440 0.000 . 2 . . . A 32 TYR HB3 . 19274 1 345 . 1 1 32 32 TYR HD1 H 1 6.760 0.000 . 1 . . . A 32 TYR HD1 . 19274 1 346 . 1 1 32 32 TYR HD2 H 1 6.760 0.000 . 1 . . . A 32 TYR HD2 . 19274 1 347 . 1 1 32 32 TYR HE1 H 1 6.700 0.000 . 1 . . . A 32 TYR HE1 . 19274 1 348 . 1 1 32 32 TYR HE2 H 1 6.700 0.000 . 1 . . . A 32 TYR HE2 . 19274 1 349 . 1 1 32 32 TYR C C 13 177.040 0.000 . 1 . . . A 32 TYR C . 19274 1 350 . 1 1 32 32 TYR CA C 13 61.171 0.000 . 1 . . . A 32 TYR CA . 19274 1 351 . 1 1 32 32 TYR CB C 13 37.840 0.000 . 1 . . . A 32 TYR CB . 19274 1 352 . 1 1 32 32 TYR CD1 C 13 131.260 0.000 . 1 . . . A 32 TYR CD1 . 19274 1 353 . 1 1 32 32 TYR CD2 C 13 131.260 0.000 . 1 . . . A 32 TYR CD2 . 19274 1 354 . 1 1 32 32 TYR CE1 C 13 117.200 0.000 . 1 . . . A 32 TYR CE1 . 19274 1 355 . 1 1 32 32 TYR CE2 C 13 117.200 0.000 . 1 . . . A 32 TYR CE2 . 19274 1 356 . 1 1 32 32 TYR N N 15 121.060 0.000 . 1 . . . A 32 TYR N . 19274 1 357 . 1 1 33 33 LEU H H 1 8.170 0.000 . 1 . . . A 33 LEU H . 19274 1 358 . 1 1 33 33 LEU HA H 1 3.950 0.000 . 1 . . . A 33 LEU HA . 19274 1 359 . 1 1 33 33 LEU HB2 H 1 1.960 0.000 . 2 . . . A 33 LEU HB2 . 19274 1 360 . 1 1 33 33 LEU HB3 H 1 1.280 0.000 . 2 . . . A 33 LEU HB3 . 19274 1 361 . 1 1 33 33 LEU HG H 1 1.280 0.000 . 1 . . . A 33 LEU HG . 19274 1 362 . 1 1 33 33 LEU HD11 H 1 0.230 0.000 . 2 . . . A 33 LEU HD11 . 19274 1 363 . 1 1 33 33 LEU HD12 H 1 0.230 0.000 . 2 . . . A 33 LEU HD12 . 19274 1 364 . 1 1 33 33 LEU HD13 H 1 0.230 0.000 . 2 . . . A 33 LEU HD13 . 19274 1 365 . 1 1 33 33 LEU HD21 H 1 0.230 0.000 . 2 . . . A 33 LEU HD21 . 19274 1 366 . 1 1 33 33 LEU HD22 H 1 0.230 0.000 . 2 . . . A 33 LEU HD22 . 19274 1 367 . 1 1 33 33 LEU HD23 H 1 0.230 0.000 . 2 . . . A 33 LEU HD23 . 19274 1 368 . 1 1 33 33 LEU C C 13 178.060 0.000 . 1 . . . A 33 LEU C . 19274 1 369 . 1 1 33 33 LEU CA C 13 58.780 0.000 . 1 . . . A 33 LEU CA . 19274 1 370 . 1 1 33 33 LEU CB C 13 42.140 0.000 . 1 . . . A 33 LEU CB . 19274 1 371 . 1 1 33 33 LEU CG C 13 26.400 0.000 . 1 . . . A 33 LEU CG . 19274 1 372 . 1 1 33 33 LEU CD1 C 13 26.140 0.000 . 1 . . . A 33 LEU CD1 . 19274 1 373 . 1 1 33 33 LEU CD2 C 13 24.330 0.000 . 1 . . . A 33 LEU CD2 . 19274 1 374 . 1 1 33 33 LEU N N 15 120.480 0.000 . 1 . . . A 33 LEU N . 19274 1 375 . 1 1 34 34 ARG H H 1 8.260 0.000 . 1 . . . A 34 ARG H . 19274 1 376 . 1 1 34 34 ARG HA H 1 3.690 0.000 . 1 . . . A 34 ARG HA . 19274 1 377 . 1 1 34 34 ARG HB2 H 1 1.770 0.000 . 2 . . . A 34 ARG HB2 . 19274 1 378 . 1 1 34 34 ARG HB3 H 1 1.770 0.000 . 2 . . . A 34 ARG HB3 . 19274 1 379 . 1 1 34 34 ARG HG2 H 1 1.730 0.000 . 2 . . . A 34 ARG HG2 . 19274 1 380 . 1 1 34 34 ARG HG3 H 1 1.430 0.000 . 2 . . . A 34 ARG HG3 . 19274 1 381 . 1 1 34 34 ARG HD2 H 1 3.140 0.000 . 2 . . . A 34 ARG HD2 . 19274 1 382 . 1 1 34 34 ARG HD3 H 1 3.140 0.000 . 2 . . . A 34 ARG HD3 . 19274 1 383 . 1 1 34 34 ARG HE H 1 8.140 0.000 . 1 . . . A 34 ARG HE . 19274 1 384 . 1 1 34 34 ARG C C 13 178.210 0.000 . 1 . . . A 34 ARG C . 19274 1 385 . 1 1 34 34 ARG CA C 13 60.381 0.000 . 1 . . . A 34 ARG CA . 19274 1 386 . 1 1 34 34 ARG CB C 13 30.330 0.000 . 1 . . . A 34 ARG CB . 19274 1 387 . 1 1 34 34 ARG CG C 13 29.280 0.000 . 1 . . . A 34 ARG CG . 19274 1 388 . 1 1 34 34 ARG CD C 13 43.130 0.000 . 1 . . . A 34 ARG CD . 19274 1 389 . 1 1 34 34 ARG N N 15 115.900 0.000 . 1 . . . A 34 ARG N . 19274 1 390 . 1 1 34 34 ARG NE N 15 110.440 0.000 . 1 . . . A 34 ARG NE . 19274 1 391 . 1 1 35 35 LYS H H 1 7.460 0.000 . 1 . . . A 35 LYS H . 19274 1 392 . 1 1 35 35 LYS HA H 1 3.960 0.000 . 1 . . . A 35 LYS HA . 19274 1 393 . 1 1 35 35 LYS HB2 H 1 1.880 0.000 . 2 . . . A 35 LYS HB2 . 19274 1 394 . 1 1 35 35 LYS HB3 H 1 1.880 0.000 . 2 . . . A 35 LYS HB3 . 19274 1 395 . 1 1 35 35 LYS HG2 H 1 1.510 0.000 . 2 . . . A 35 LYS HG2 . 19274 1 396 . 1 1 35 35 LYS HG3 H 1 1.290 0.000 . 2 . . . A 35 LYS HG3 . 19274 1 397 . 1 1 35 35 LYS HD2 H 1 1.570 0.000 . 2 . . . A 35 LYS HD2 . 19274 1 398 . 1 1 35 35 LYS HD3 H 1 1.570 0.000 . 2 . . . A 35 LYS HD3 . 19274 1 399 . 1 1 35 35 LYS HE2 H 1 3.020 0.000 . 2 . . . A 35 LYS HE2 . 19274 1 400 . 1 1 35 35 LYS HE3 H 1 3.020 0.000 . 2 . . . A 35 LYS HE3 . 19274 1 401 . 1 1 35 35 LYS CA C 13 59.851 0.000 . 1 . . . A 35 LYS CA . 19274 1 402 . 1 1 35 35 LYS CB C 13 32.610 0.000 . 1 . . . A 35 LYS CB . 19274 1 403 . 1 1 35 35 LYS CG C 13 24.890 0.000 . 1 . . . A 35 LYS CG . 19274 1 404 . 1 1 35 35 LYS CD C 13 29.640 0.000 . 1 . . . A 35 LYS CD . 19274 1 405 . 1 1 35 35 LYS CE C 13 42.260 0.000 . 1 . . . A 35 LYS CE . 19274 1 406 . 1 1 35 35 LYS N N 15 119.800 0.000 . 1 . . . A 35 LYS N . 19274 1 407 . 1 1 36 36 VAL H H 1 8.020 0.000 . 1 . . . A 36 VAL H . 19274 1 408 . 1 1 36 36 VAL HA H 1 3.500 0.000 . 1 . . . A 36 VAL HA . 19274 1 409 . 1 1 36 36 VAL HB H 1 1.850 0.000 . 1 . . . A 36 VAL HB . 19274 1 410 . 1 1 36 36 VAL HG11 H 1 0.320 0.000 . 2 . . . A 36 VAL HG11 . 19274 1 411 . 1 1 36 36 VAL HG12 H 1 0.320 0.000 . 2 . . . A 36 VAL HG12 . 19274 1 412 . 1 1 36 36 VAL HG13 H 1 0.320 0.000 . 2 . . . A 36 VAL HG13 . 19274 1 413 . 1 1 36 36 VAL HG21 H 1 0.540 0.000 . 2 . . . A 36 VAL HG21 . 19274 1 414 . 1 1 36 36 VAL HG22 H 1 0.540 0.000 . 2 . . . A 36 VAL HG22 . 19274 1 415 . 1 1 36 36 VAL HG23 H 1 0.540 0.000 . 2 . . . A 36 VAL HG23 . 19274 1 416 . 1 1 36 36 VAL C C 13 178.790 0.000 . 1 . . . A 36 VAL C . 19274 1 417 . 1 1 36 36 VAL CA C 13 66.191 0.000 . 1 . . . A 36 VAL CA . 19274 1 418 . 1 1 36 36 VAL CB C 13 31.820 0.000 . 1 . . . A 36 VAL CB . 19274 1 419 . 1 1 36 36 VAL CG1 C 13 20.890 0.000 . 1 . . . A 36 VAL CG1 . 19274 1 420 . 1 1 36 36 VAL CG2 C 13 22.950 0.000 . 1 . . . A 36 VAL CG2 . 19274 1 421 . 1 1 36 36 VAL N N 15 119.380 0.000 . 1 . . . A 36 VAL N . 19274 1 422 . 1 1 37 37 LEU H H 1 8.250 0.000 . 1 . . . A 37 LEU H . 19274 1 423 . 1 1 37 37 LEU HA H 1 4.060 0.000 . 1 . . . A 37 LEU HA . 19274 1 424 . 1 1 37 37 LEU HB2 H 1 1.950 0.000 . 2 . . . A 37 LEU HB2 . 19274 1 425 . 1 1 37 37 LEU HB3 H 1 1.520 0.000 . 2 . . . A 37 LEU HB3 . 19274 1 426 . 1 1 37 37 LEU HG H 1 2.100 0.000 . 1 . . . A 37 LEU HG . 19274 1 427 . 1 1 37 37 LEU HD11 H 1 0.970 0.000 . 2 . . . A 37 LEU HD11 . 19274 1 428 . 1 1 37 37 LEU HD12 H 1 0.970 0.000 . 2 . . . A 37 LEU HD12 . 19274 1 429 . 1 1 37 37 LEU HD13 H 1 0.970 0.000 . 2 . . . A 37 LEU HD13 . 19274 1 430 . 1 1 37 37 LEU HD21 H 1 1.010 0.000 . 2 . . . A 37 LEU HD21 . 19274 1 431 . 1 1 37 37 LEU HD22 H 1 1.010 0.000 . 2 . . . A 37 LEU HD22 . 19274 1 432 . 1 1 37 37 LEU HD23 H 1 1.010 0.000 . 2 . . . A 37 LEU HD23 . 19274 1 433 . 1 1 37 37 LEU C C 13 179.560 0.000 . 1 . . . A 37 LEU C . 19274 1 434 . 1 1 37 37 LEU CA C 13 57.991 0.000 . 1 . . . A 37 LEU CA . 19274 1 435 . 1 1 37 37 LEU CB C 13 41.010 0.000 . 1 . . . A 37 LEU CB . 19274 1 436 . 1 1 37 37 LEU CG C 13 27.190 0.000 . 1 . . . A 37 LEU CG . 19274 1 437 . 1 1 37 37 LEU CD1 C 13 26.660 0.000 . 1 . . . A 37 LEU CD1 . 19274 1 438 . 1 1 37 37 LEU CD2 C 13 22.360 0.000 . 1 . . . A 37 LEU CD2 . 19274 1 439 . 1 1 37 37 LEU N N 15 116.970 0.000 . 1 . . . A 37 LEU N . 19274 1 440 . 1 1 38 38 ASN H H 1 8.120 0.000 . 1 . . . A 38 ASN H . 19274 1 441 . 1 1 38 38 ASN HA H 1 4.580 0.000 . 1 . . . A 38 ASN HA . 19274 1 442 . 1 1 38 38 ASN HB2 H 1 2.960 0.000 . 2 . . . A 38 ASN HB2 . 19274 1 443 . 1 1 38 38 ASN HB3 H 1 2.820 0.000 . 2 . . . A 38 ASN HB3 . 19274 1 444 . 1 1 38 38 ASN HD21 H 1 6.980 0.000 . 2 . . . A 38 ASN HD21 . 19274 1 445 . 1 1 38 38 ASN HD22 H 1 7.610 0.000 . 2 . . . A 38 ASN HD22 . 19274 1 446 . 1 1 38 38 ASN C C 13 177.520 0.000 . 1 . . . A 38 ASN C . 19274 1 447 . 1 1 38 38 ASN CA C 13 55.950 0.000 . 1 . . . A 38 ASN CA . 19274 1 448 . 1 1 38 38 ASN CB C 13 39.090 0.000 . 1 . . . A 38 ASN CB . 19274 1 449 . 1 1 38 38 ASN N N 15 116.710 0.000 . 1 . . . A 38 ASN N . 19274 1 450 . 1 1 38 38 ASN ND2 N 15 112.210 0.000 . 1 . . . A 38 ASN ND2 . 19274 1 451 . 1 1 39 39 GLU H H 1 7.800 0.000 . 1 . . . A 39 GLU H . 19274 1 452 . 1 1 39 39 GLU HA H 1 4.250 0.000 . 1 . . . A 39 GLU HA . 19274 1 453 . 1 1 39 39 GLU HB2 H 1 2.170 0.000 . 2 . . . A 39 GLU HB2 . 19274 1 454 . 1 1 39 39 GLU HB3 H 1 2.170 0.000 . 2 . . . A 39 GLU HB3 . 19274 1 455 . 1 1 39 39 GLU HG2 H 1 2.540 0.000 . 2 . . . A 39 GLU HG2 . 19274 1 456 . 1 1 39 39 GLU HG3 H 1 2.320 0.000 . 2 . . . A 39 GLU HG3 . 19274 1 457 . 1 1 39 39 GLU C C 13 177.680 0.000 . 1 . . . A 39 GLU C . 19274 1 458 . 1 1 39 39 GLU CA C 13 57.801 0.000 . 1 . . . A 39 GLU CA . 19274 1 459 . 1 1 39 39 GLU CB C 13 29.570 0.000 . 1 . . . A 39 GLU CB . 19274 1 460 . 1 1 39 39 GLU CG C 13 36.560 0.000 . 1 . . . A 39 GLU CG . 19274 1 461 . 1 1 39 39 GLU N N 15 118.700 0.000 . 1 . . . A 39 GLU N . 19274 1 462 . 1 1 40 40 LEU H H 1 7.710 0.000 . 1 . . . A 40 LEU H . 19274 1 463 . 1 1 40 40 LEU HA H 1 4.370 0.000 . 1 . . . A 40 LEU HA . 19274 1 464 . 1 1 40 40 LEU HB2 H 1 1.930 0.000 . 2 . . . A 40 LEU HB2 . 19274 1 465 . 1 1 40 40 LEU HB3 H 1 1.670 0.000 . 2 . . . A 40 LEU HB3 . 19274 1 466 . 1 1 40 40 LEU HG H 1 1.930 0.000 . 1 . . . A 40 LEU HG . 19274 1 467 . 1 1 40 40 LEU HD11 H 1 0.921 0.000 . 2 . . . A 40 LEU HD11 . 19274 1 468 . 1 1 40 40 LEU HD12 H 1 0.921 0.000 . 2 . . . A 40 LEU HD12 . 19274 1 469 . 1 1 40 40 LEU HD13 H 1 0.921 0.000 . 2 . . . A 40 LEU HD13 . 19274 1 470 . 1 1 40 40 LEU HD21 H 1 0.839 0.000 . 2 . . . A 40 LEU HD21 . 19274 1 471 . 1 1 40 40 LEU HD22 H 1 0.839 0.000 . 2 . . . A 40 LEU HD22 . 19274 1 472 . 1 1 40 40 LEU HD23 H 1 0.839 0.000 . 2 . . . A 40 LEU HD23 . 19274 1 473 . 1 1 40 40 LEU C C 13 177.940 0.000 . 1 . . . A 40 LEU C . 19274 1 474 . 1 1 40 40 LEU CA C 13 55.751 0.000 . 1 . . . A 40 LEU CA . 19274 1 475 . 1 1 40 40 LEU CB C 13 42.130 0.000 . 1 . . . A 40 LEU CB . 19274 1 476 . 1 1 40 40 LEU CG C 13 26.900 0.000 . 1 . . . A 40 LEU CG . 19274 1 477 . 1 1 40 40 LEU CD1 C 13 26.400 0.000 . 1 . . . A 40 LEU CD1 . 19274 1 478 . 1 1 40 40 LEU CD2 C 13 23.000 0.000 . 1 . . . A 40 LEU CD2 . 19274 1 479 . 1 1 40 40 LEU N N 15 118.760 0.000 . 1 . . . A 40 LEU N . 19274 1 480 . 1 1 41 41 GLY H H 1 7.780 0.000 . 1 . . . A 41 GLY H . 19274 1 481 . 1 1 41 41 GLY HA2 H 1 3.924 0.000 . 2 . . . A 41 GLY HA2 . 19274 1 482 . 1 1 41 41 GLY HA3 H 1 3.924 0.000 . 2 . . . A 41 GLY HA3 . 19274 1 483 . 1 1 41 41 GLY CA C 13 46.100 0.000 . 1 . . . A 41 GLY CA . 19274 1 484 . 1 1 41 41 GLY N N 15 106.700 0.000 . 1 . . . A 41 GLY N . 19274 1 485 . 1 1 42 42 ASP H H 1 8.440 0.000 . 1 . . . A 42 ASP H . 19274 1 486 . 1 1 42 42 ASP HA H 1 4.560 0.000 . 1 . . . A 42 ASP HA . 19274 1 487 . 1 1 42 42 ASP HB2 H 1 2.730 0.000 . 2 . . . A 42 ASP HB2 . 19274 1 488 . 1 1 42 42 ASP HB3 H 1 2.730 0.000 . 2 . . . A 42 ASP HB3 . 19274 1 489 . 1 1 42 42 ASP C C 13 176.280 0.000 . 1 . . . A 42 ASP C . 19274 1 490 . 1 1 42 42 ASP CA C 13 54.891 0.000 . 1 . . . A 42 ASP CA . 19274 1 491 . 1 1 42 42 ASP CB C 13 40.410 0.000 . 1 . . . A 42 ASP CB . 19274 1 492 . 1 1 42 42 ASP N N 15 120.920 0.000 . 1 . . . A 42 ASP N . 19274 1 493 . 1 1 43 43 MET H H 1 8.180 0.000 . 1 . . . A 43 MET H . 19274 1 494 . 1 1 43 43 MET HA H 1 4.380 0.000 . 1 . . . A 43 MET HA . 19274 1 495 . 1 1 43 43 MET HB2 H 1 2.090 0.000 . 2 . . . A 43 MET HB2 . 19274 1 496 . 1 1 43 43 MET HB3 H 1 2.090 0.000 . 2 . . . A 43 MET HB3 . 19274 1 497 . 1 1 43 43 MET HG2 H 1 2.630 0.000 . 2 . . . A 43 MET HG2 . 19274 1 498 . 1 1 43 43 MET HG3 H 1 2.530 0.000 . 2 . . . A 43 MET HG3 . 19274 1 499 . 1 1 43 43 MET C C 13 175.810 0.000 . 1 . . . A 43 MET C . 19274 1 500 . 1 1 43 43 MET CA C 13 56.801 0.000 . 1 . . . A 43 MET CA . 19274 1 501 . 1 1 43 43 MET CB C 13 33.140 0.000 . 1 . . . A 43 MET CB . 19274 1 502 . 1 1 43 43 MET CG C 13 32.180 0.000 . 1 . . . A 43 MET CG . 19274 1 503 . 1 1 43 43 MET N N 15 118.550 0.000 . 1 . . . A 43 MET N . 19274 1 504 . 1 1 44 44 MET H H 1 7.920 0.000 . 1 . . . A 44 MET H . 19274 1 505 . 1 1 44 44 MET HA H 1 4.870 0.000 . 1 . . . A 44 MET HA . 19274 1 506 . 1 1 44 44 MET HB2 H 1 2.010 0.000 . 2 . . . A 44 MET HB2 . 19274 1 507 . 1 1 44 44 MET HB3 H 1 1.940 0.000 . 2 . . . A 44 MET HB3 . 19274 1 508 . 1 1 44 44 MET CA C 13 53.170 0.000 . 1 . . . A 44 MET CA . 19274 1 509 . 1 1 44 44 MET CB C 13 33.870 0.000 . 1 . . . A 44 MET CB . 19274 1 510 . 1 1 44 44 MET N N 15 119.050 0.000 . 1 . . . A 44 MET N . 19274 1 511 . 1 1 45 45 PRO HA H 1 4.530 0.000 . 1 . . . A 45 PRO HA . 19274 1 512 . 1 1 45 45 PRO HB2 H 1 2.070 0.000 . 2 . . . A 45 PRO HB2 . 19274 1 513 . 1 1 45 45 PRO HB3 H 1 2.430 0.000 . 2 . . . A 45 PRO HB3 . 19274 1 514 . 1 1 45 45 PRO HG2 H 1 2.130 0.000 . 2 . . . A 45 PRO HG2 . 19274 1 515 . 1 1 45 45 PRO HG3 H 1 2.030 0.000 . 2 . . . A 45 PRO HG3 . 19274 1 516 . 1 1 45 45 PRO HD2 H 1 3.870 0.000 . 2 . . . A 45 PRO HD2 . 19274 1 517 . 1 1 45 45 PRO HD3 H 1 3.650 0.000 . 2 . . . A 45 PRO HD3 . 19274 1 518 . 1 1 45 45 PRO C C 13 177.450 0.000 . 1 . . . A 45 PRO C . 19274 1 519 . 1 1 45 45 PRO CA C 13 62.751 0.000 . 1 . . . A 45 PRO CA . 19274 1 520 . 1 1 45 45 PRO CB C 13 32.340 0.000 . 1 . . . A 45 PRO CB . 19274 1 521 . 1 1 45 45 PRO CG C 13 28.020 0.000 . 1 . . . A 45 PRO CG . 19274 1 522 . 1 1 45 45 PRO CD C 13 50.900 0.000 . 1 . . . A 45 PRO CD . 19274 1 523 . 1 1 46 46 ALA H H 1 8.660 0.000 . 1 . . . A 46 ALA H . 19274 1 524 . 1 1 46 46 ALA HA H 1 4.090 0.000 . 1 . . . A 46 ALA HA . 19274 1 525 . 1 1 46 46 ALA HB1 H 1 1.530 0.000 . 1 . . . A 46 ALA HB1 . 19274 1 526 . 1 1 46 46 ALA HB2 H 1 1.530 0.000 . 1 . . . A 46 ALA HB2 . 19274 1 527 . 1 1 46 46 ALA HB3 H 1 1.530 0.000 . 1 . . . A 46 ALA HB3 . 19274 1 528 . 1 1 46 46 ALA CA C 13 55.531 0.000 . 1 . . . A 46 ALA CA . 19274 1 529 . 1 1 46 46 ALA CB C 13 18.870 0.000 . 1 . . . A 46 ALA CB . 19274 1 530 . 1 1 46 46 ALA N N 15 126.480 0.000 . 1 . . . A 46 ALA N . 19274 1 531 . 1 1 47 47 ASP H H 1 8.840 0.000 . 1 . . . A 47 ASP H . 19274 1 532 . 1 1 47 47 ASP HA H 1 4.400 0.000 . 1 . . . A 47 ASP HA . 19274 1 533 . 1 1 47 47 ASP HB2 H 1 2.770 0.000 . 2 . . . A 47 ASP HB2 . 19274 1 534 . 1 1 47 47 ASP HB3 H 1 2.670 0.000 . 2 . . . A 47 ASP HB3 . 19274 1 535 . 1 1 47 47 ASP C C 13 179.710 0.000 . 1 . . . A 47 ASP C . 19274 1 536 . 1 1 47 47 ASP CA C 13 56.701 0.000 . 1 . . . A 47 ASP CA . 19274 1 537 . 1 1 47 47 ASP CB C 13 39.690 0.000 . 1 . . . A 47 ASP CB . 19274 1 538 . 1 1 47 47 ASP N N 15 115.320 0.000 . 1 . . . A 47 ASP N . 19274 1 539 . 1 1 48 48 GLU H H 1 7.580 0.000 . 1 . . . A 48 GLU H . 19274 1 540 . 1 1 48 48 GLU HA H 1 4.270 0.000 . 1 . . . A 48 GLU HA . 19274 1 541 . 1 1 48 48 GLU HB2 H 1 2.140 0.000 . 2 . . . A 48 GLU HB2 . 19274 1 542 . 1 1 48 48 GLU HB3 H 1 2.140 0.000 . 2 . . . A 48 GLU HB3 . 19274 1 543 . 1 1 48 48 GLU HG2 H 1 2.370 0.000 . 2 . . . A 48 GLU HG2 . 19274 1 544 . 1 1 48 48 GLU HG3 H 1 2.370 0.000 . 2 . . . A 48 GLU HG3 . 19274 1 545 . 1 1 48 48 GLU C C 13 178.700 0.000 . 1 . . . A 48 GLU C . 19274 1 546 . 1 1 48 48 GLU CA C 13 58.521 0.000 . 1 . . . A 48 GLU CA . 19274 1 547 . 1 1 48 48 GLU CB C 13 29.900 0.000 . 1 . . . A 48 GLU CB . 19274 1 548 . 1 1 48 48 GLU CG C 13 36.440 0.000 . 1 . . . A 48 GLU CG . 19274 1 549 . 1 1 48 48 GLU N N 15 120.590 0.000 . 1 . . . A 48 GLU N . 19274 1 550 . 1 1 49 49 ILE H H 1 7.690 0.000 . 1 . . . A 49 ILE H . 19274 1 551 . 1 1 49 49 ILE HA H 1 3.780 0.000 . 1 . . . A 49 ILE HA . 19274 1 552 . 1 1 49 49 ILE HB H 1 2.090 0.000 . 1 . . . A 49 ILE HB . 19274 1 553 . 1 1 49 49 ILE HG12 H 1 1.680 0.000 . 2 . . . A 49 ILE HG12 . 19274 1 554 . 1 1 49 49 ILE HG13 H 1 1.150 0.000 . 2 . . . A 49 ILE HG13 . 19274 1 555 . 1 1 49 49 ILE HG21 H 1 0.940 0.000 . 1 . . . A 49 ILE HG21 . 19274 1 556 . 1 1 49 49 ILE HG22 H 1 0.940 0.000 . 1 . . . A 49 ILE HG22 . 19274 1 557 . 1 1 49 49 ILE HG23 H 1 0.940 0.000 . 1 . . . A 49 ILE HG23 . 19274 1 558 . 1 1 49 49 ILE HD11 H 1 0.918 0.000 . 1 . . . A 49 ILE HD11 . 19274 1 559 . 1 1 49 49 ILE HD12 H 1 0.918 0.000 . 1 . . . A 49 ILE HD12 . 19274 1 560 . 1 1 49 49 ILE HD13 H 1 0.918 0.000 . 1 . . . A 49 ILE HD13 . 19274 1 561 . 1 1 49 49 ILE C C 13 177.640 0.000 . 1 . . . A 49 ILE C . 19274 1 562 . 1 1 49 49 ILE CA C 13 65.131 0.000 . 1 . . . A 49 ILE CA . 19274 1 563 . 1 1 49 49 ILE CB C 13 37.700 0.000 . 1 . . . A 49 ILE CB . 19274 1 564 . 1 1 49 49 ILE CG1 C 13 29.140 0.000 . 1 . . . A 49 ILE CG1 . 19274 1 565 . 1 1 49 49 ILE CG2 C 13 16.667 0.000 . 1 . . . A 49 ILE CG2 . 19274 1 566 . 1 1 49 49 ILE CD1 C 13 13.090 0.000 . 1 . . . A 49 ILE CD1 . 19274 1 567 . 1 1 49 49 ILE N N 15 119.990 0.000 . 1 . . . A 49 ILE N . 19274 1 568 . 1 1 50 50 GLU H H 1 8.040 0.000 . 1 . . . A 50 GLU H . 19274 1 569 . 1 1 50 50 GLU HA H 1 3.970 0.000 . 1 . . . A 50 GLU HA . 19274 1 570 . 1 1 50 50 GLU HB2 H 1 2.090 0.000 . 2 . . . A 50 GLU HB2 . 19274 1 571 . 1 1 50 50 GLU HB3 H 1 2.090 0.000 . 2 . . . A 50 GLU HB3 . 19274 1 572 . 1 1 50 50 GLU HG2 H 1 2.430 0.000 . 2 . . . A 50 GLU HG2 . 19274 1 573 . 1 1 50 50 GLU HG3 H 1 2.430 0.000 . 2 . . . A 50 GLU HG3 . 19274 1 574 . 1 1 50 50 GLU C C 13 179.400 0.000 . 1 . . . A 50 GLU C . 19274 1 575 . 1 1 50 50 GLU CA C 13 59.181 0.000 . 1 . . . A 50 GLU CA . 19274 1 576 . 1 1 50 50 GLU CB C 13 28.650 0.000 . 1 . . . A 50 GLU CB . 19274 1 577 . 1 1 50 50 GLU CG C 13 35.690 0.000 . 1 . . . A 50 GLU CG . 19274 1 578 . 1 1 50 50 GLU N N 15 117.290 0.000 . 1 . . . A 50 GLU N . 19274 1 579 . 1 1 51 51 GLU H H 1 7.750 0.000 . 1 . . . A 51 GLU H . 19274 1 580 . 1 1 51 51 GLU HA H 1 4.220 0.000 . 1 . . . A 51 GLU HA . 19274 1 581 . 1 1 51 51 GLU HB2 H 1 2.210 0.000 . 2 . . . A 51 GLU HB2 . 19274 1 582 . 1 1 51 51 GLU HB3 H 1 2.210 0.000 . 2 . . . A 51 GLU HB3 . 19274 1 583 . 1 1 51 51 GLU HG2 H 1 2.430 0.000 . 2 . . . A 51 GLU HG2 . 19274 1 584 . 1 1 51 51 GLU HG3 H 1 2.430 0.000 . 2 . . . A 51 GLU HG3 . 19274 1 585 . 1 1 51 51 GLU C C 13 179.810 0.000 . 1 . . . A 51 GLU C . 19274 1 586 . 1 1 51 51 GLU CA C 13 59.451 0.000 . 1 . . . A 51 GLU CA . 19274 1 587 . 1 1 51 51 GLU CB C 13 29.310 0.000 . 1 . . . A 51 GLU CB . 19274 1 588 . 1 1 51 51 GLU CG C 13 35.740 0.000 . 1 . . . A 51 GLU CG . 19274 1 589 . 1 1 51 51 GLU N N 15 119.160 0.000 . 1 . . . A 51 GLU N . 19274 1 590 . 1 1 52 52 MET H H 1 7.998 0.000 . 1 . . . A 52 MET H . 19274 1 591 . 1 1 52 52 MET HA H 1 4.200 0.000 . 1 . . . A 52 MET HA . 19274 1 592 . 1 1 52 52 MET HB2 H 1 2.360 0.000 . 2 . . . A 52 MET HB2 . 19274 1 593 . 1 1 52 52 MET HB3 H 1 2.050 0.000 . 2 . . . A 52 MET HB3 . 19274 1 594 . 1 1 52 52 MET HG2 H 1 2.750 0.000 . 2 . . . A 52 MET HG2 . 19274 1 595 . 1 1 52 52 MET HG3 H 1 2.500 0.000 . 2 . . . A 52 MET HG3 . 19274 1 596 . 1 1 52 52 MET CA C 13 59.191 0.000 . 1 . . . A 52 MET CA . 19274 1 597 . 1 1 52 52 MET CB C 13 33.580 0.000 . 1 . . . A 52 MET CB . 19274 1 598 . 1 1 52 52 MET CG C 13 32.680 0.000 . 1 . . . A 52 MET CG . 19274 1 599 . 1 1 52 52 MET N N 15 118.780 0.000 . 1 . . . A 52 MET N . 19274 1 600 . 1 1 53 53 ILE H H 1 8.420 0.000 . 1 . . . A 53 ILE H . 19274 1 601 . 1 1 53 53 ILE HA H 1 3.530 0.000 . 1 . . . A 53 ILE HA . 19274 1 602 . 1 1 53 53 ILE HB H 1 1.940 0.000 . 1 . . . A 53 ILE HB . 19274 1 603 . 1 1 53 53 ILE HG12 H 1 1.980 0.000 . 2 . . . A 53 ILE HG12 . 19274 1 604 . 1 1 53 53 ILE HG13 H 1 0.685 0.000 . 2 . . . A 53 ILE HG13 . 19274 1 605 . 1 1 53 53 ILE HG21 H 1 0.830 0.000 . 1 . . . A 53 ILE HG21 . 19274 1 606 . 1 1 53 53 ILE HG22 H 1 0.830 0.000 . 1 . . . A 53 ILE HG22 . 19274 1 607 . 1 1 53 53 ILE HG23 H 1 0.830 0.000 . 1 . . . A 53 ILE HG23 . 19274 1 608 . 1 1 53 53 ILE HD11 H 1 0.691 0.000 . 1 . . . A 53 ILE HD11 . 19274 1 609 . 1 1 53 53 ILE HD12 H 1 0.691 0.000 . 1 . . . A 53 ILE HD12 . 19274 1 610 . 1 1 53 53 ILE HD13 H 1 0.691 0.000 . 1 . . . A 53 ILE HD13 . 19274 1 611 . 1 1 53 53 ILE C C 13 177.086 0.000 . 1 . . . A 53 ILE C . 19274 1 612 . 1 1 53 53 ILE CA C 13 66.669 0.000 . 1 . . . A 53 ILE CA . 19274 1 613 . 1 1 53 53 ILE CB C 13 37.680 0.000 . 1 . . . A 53 ILE CB . 19274 1 614 . 1 1 53 53 ILE CG1 C 13 30.190 0.000 . 1 . . . A 53 ILE CG1 . 19274 1 615 . 1 1 53 53 ILE CG2 C 13 17.650 0.000 . 1 . . . A 53 ILE CG2 . 19274 1 616 . 1 1 53 53 ILE CD1 C 13 14.050 0.000 . 1 . . . A 53 ILE CD1 . 19274 1 617 . 1 1 53 53 ILE N N 15 120.910 0.000 . 1 . . . A 53 ILE N . 19274 1 618 . 1 1 54 54 TYR H H 1 7.850 0.000 . 1 . . . A 54 TYR H . 19274 1 619 . 1 1 54 54 TYR HA H 1 4.300 0.000 . 1 . . . A 54 TYR HA . 19274 1 620 . 1 1 54 54 TYR HB2 H 1 3.200 0.000 . 2 . . . A 54 TYR HB2 . 19274 1 621 . 1 1 54 54 TYR HB3 H 1 3.200 0.000 . 2 . . . A 54 TYR HB3 . 19274 1 622 . 1 1 54 54 TYR HD1 H 1 7.210 0.000 . 1 . . . A 54 TYR HD1 . 19274 1 623 . 1 1 54 54 TYR HD2 H 1 7.210 0.000 . 1 . . . A 54 TYR HD2 . 19274 1 624 . 1 1 54 54 TYR HE1 H 1 6.860 0.000 . 1 . . . A 54 TYR HE1 . 19274 1 625 . 1 1 54 54 TYR HE2 H 1 6.860 0.000 . 1 . . . A 54 TYR HE2 . 19274 1 626 . 1 1 54 54 TYR C C 13 177.910 0.000 . 1 . . . A 54 TYR C . 19274 1 627 . 1 1 54 54 TYR CA C 13 60.771 0.000 . 1 . . . A 54 TYR CA . 19274 1 628 . 1 1 54 54 TYR CB C 13 37.550 0.000 . 1 . . . A 54 TYR CB . 19274 1 629 . 1 1 54 54 TYR CD1 C 13 132.230 0.000 . 1 . . . A 54 TYR CD1 . 19274 1 630 . 1 1 54 54 TYR CD2 C 13 132.230 0.000 . 1 . . . A 54 TYR CD2 . 19274 1 631 . 1 1 54 54 TYR CE1 C 13 117.330 0.000 . 1 . . . A 54 TYR CE1 . 19274 1 632 . 1 1 54 54 TYR CE2 C 13 117.330 0.000 . 1 . . . A 54 TYR CE2 . 19274 1 633 . 1 1 54 54 TYR N N 15 119.030 0.000 . 1 . . . A 54 TYR N . 19274 1 634 . 1 1 55 55 GLU H H 1 7.850 0.000 . 1 . . . A 55 GLU H . 19274 1 635 . 1 1 55 55 GLU HA H 1 3.900 0.000 . 1 . . . A 55 GLU HA . 19274 1 636 . 1 1 55 55 GLU HB2 H 1 2.140 0.000 . 2 . . . A 55 GLU HB2 . 19274 1 637 . 1 1 55 55 GLU HB3 H 1 2.140 0.000 . 2 . . . A 55 GLU HB3 . 19274 1 638 . 1 1 55 55 GLU HG2 H 1 2.580 0.000 . 2 . . . A 55 GLU HG2 . 19274 1 639 . 1 1 55 55 GLU HG3 H 1 2.410 0.000 . 2 . . . A 55 GLU HG3 . 19274 1 640 . 1 1 55 55 GLU C C 13 178.280 0.000 . 1 . . . A 55 GLU C . 19274 1 641 . 1 1 55 55 GLU CA C 13 58.391 0.000 . 1 . . . A 55 GLU CA . 19274 1 642 . 1 1 55 55 GLU CB C 13 29.510 0.000 . 1 . . . A 55 GLU CB . 19274 1 643 . 1 1 55 55 GLU CG C 13 36.210 0.000 . 1 . . . A 55 GLU CG . 19274 1 644 . 1 1 55 55 GLU N N 15 115.700 0.000 . 1 . . . A 55 GLU N . 19274 1 645 . 1 1 56 56 ALA H H 1 8.009 0.000 . 1 . . . A 56 ALA H . 19274 1 646 . 1 1 56 56 ALA HA H 1 4.390 0.000 . 1 . . . A 56 ALA HA . 19274 1 647 . 1 1 56 56 ALA HB1 H 1 1.660 0.000 . 1 . . . A 56 ALA HB1 . 19274 1 648 . 1 1 56 56 ALA HB2 H 1 1.660 0.000 . 1 . . . A 56 ALA HB2 . 19274 1 649 . 1 1 56 56 ALA HB3 H 1 1.660 0.000 . 1 . . . A 56 ALA HB3 . 19274 1 650 . 1 1 56 56 ALA C C 13 177.670 0.000 . 1 . . . A 56 ALA C . 19274 1 651 . 1 1 56 56 ALA CA C 13 53.170 0.000 . 1 . . . A 56 ALA CA . 19274 1 652 . 1 1 56 56 ALA CB C 13 19.990 0.000 . 1 . . . A 56 ALA CB . 19274 1 653 . 1 1 56 56 ALA N N 15 119.710 0.000 . 1 . . . A 56 ALA N . 19274 1 654 . 1 1 57 57 ASP H H 1 8.020 0.000 . 1 . . . A 57 ASP H . 19274 1 655 . 1 1 57 57 ASP HA H 1 5.340 0.000 . 1 . . . A 57 ASP HA . 19274 1 656 . 1 1 57 57 ASP HB2 H 1 2.700 0.000 . 2 . . . A 57 ASP HB2 . 19274 1 657 . 1 1 57 57 ASP HB3 H 1 2.370 0.000 . 2 . . . A 57 ASP HB3 . 19274 1 658 . 1 1 57 57 ASP CA C 13 52.310 0.000 . 1 . . . A 57 ASP CA . 19274 1 659 . 1 1 57 57 ASP CB C 13 40.870 0.000 . 1 . . . A 57 ASP CB . 19274 1 660 . 1 1 57 57 ASP N N 15 117.020 0.000 . 1 . . . A 57 ASP N . 19274 1 661 . 1 1 58 58 PRO HA H 1 4.310 0.000 . 1 . . . A 58 PRO HA . 19274 1 662 . 1 1 58 58 PRO HB2 H 1 1.940 0.000 . 2 . . . A 58 PRO HB2 . 19274 1 663 . 1 1 58 58 PRO HB3 H 1 2.100 0.000 . 2 . . . A 58 PRO HB3 . 19274 1 664 . 1 1 58 58 PRO HG2 H 1 2.080 0.000 . 2 . . . A 58 PRO HG2 . 19274 1 665 . 1 1 58 58 PRO HG3 H 1 1.950 0.000 . 2 . . . A 58 PRO HG3 . 19274 1 666 . 1 1 58 58 PRO HD2 H 1 3.760 0.000 . 2 . . . A 58 PRO HD2 . 19274 1 667 . 1 1 58 58 PRO HD3 H 1 3.530 0.000 . 2 . . . A 58 PRO HD3 . 19274 1 668 . 1 1 58 58 PRO C C 13 178.470 0.000 . 1 . . . A 58 PRO C . 19274 1 669 . 1 1 58 58 PRO CA C 13 65.331 0.000 . 1 . . . A 58 PRO CA . 19274 1 670 . 1 1 58 58 PRO CB C 13 31.630 0.000 . 1 . . . A 58 PRO CB . 19274 1 671 . 1 1 58 58 PRO CG C 13 27.430 0.000 . 1 . . . A 58 PRO CG . 19274 1 672 . 1 1 58 58 PRO CD C 13 50.440 0.000 . 1 . . . A 58 PRO CD . 19274 1 673 . 1 1 59 59 GLN H H 1 8.750 0.000 . 1 . . . A 59 GLN H . 19274 1 674 . 1 1 59 59 GLN HA H 1 4.510 0.000 . 1 . . . A 59 GLN HA . 19274 1 675 . 1 1 59 59 GLN HB2 H 1 2.370 0.000 . 2 . . . A 59 GLN HB2 . 19274 1 676 . 1 1 59 59 GLN HB3 H 1 2.030 0.000 . 2 . . . A 59 GLN HB3 . 19274 1 677 . 1 1 59 59 GLN HG2 H 1 2.390 0.000 . 2 . . . A 59 GLN HG2 . 19274 1 678 . 1 1 59 59 GLN HG3 H 1 2.390 0.000 . 2 . . . A 59 GLN HG3 . 19274 1 679 . 1 1 59 59 GLN HE21 H 1 6.880 0.000 . 2 . . . A 59 GLN HE21 . 19274 1 680 . 1 1 59 59 GLN HE22 H 1 7.560 0.000 . 2 . . . A 59 GLN HE22 . 19274 1 681 . 1 1 59 59 GLN C C 13 176.290 0.000 . 1 . . . A 59 GLN C . 19274 1 682 . 1 1 59 59 GLN CA C 13 54.881 0.000 . 1 . . . A 59 GLN CA . 19274 1 683 . 1 1 59 59 GLN CB C 13 27.580 0.000 . 1 . . . A 59 GLN CB . 19274 1 684 . 1 1 59 59 GLN CG C 13 34.450 0.000 . 1 . . . A 59 GLN CG . 19274 1 685 . 1 1 59 59 GLN N N 15 115.810 0.000 . 1 . . . A 59 GLN N . 19274 1 686 . 1 1 59 59 GLN NE2 N 15 111.960 0.000 . 1 . . . A 59 GLN NE2 . 19274 1 687 . 1 1 60 60 ASN H H 1 8.350 0.000 . 1 . . . A 60 ASN H . 19274 1 688 . 1 1 60 60 ASN HA H 1 4.400 0.000 . 1 . . . A 60 ASN HA . 19274 1 689 . 1 1 60 60 ASN HB2 H 1 3.160 0.000 . 2 . . . A 60 ASN HB2 . 19274 1 690 . 1 1 60 60 ASN HB3 H 1 2.700 0.000 . 2 . . . A 60 ASN HB3 . 19274 1 691 . 1 1 60 60 ASN HD21 H 1 6.760 0.000 . 2 . . . A 60 ASN HD21 . 19274 1 692 . 1 1 60 60 ASN HD22 H 1 7.550 0.000 . 2 . . . A 60 ASN HD22 . 19274 1 693 . 1 1 60 60 ASN C C 13 175.330 0.000 . 1 . . . A 60 ASN C . 19274 1 694 . 1 1 60 60 ASN CA C 13 54.411 0.000 . 1 . . . A 60 ASN CA . 19274 1 695 . 1 1 60 60 ASN CB C 13 36.770 0.000 . 1 . . . A 60 ASN CB . 19274 1 696 . 1 1 60 60 ASN N N 15 118.250 0.000 . 1 . . . A 60 ASN N . 19274 1 697 . 1 1 60 60 ASN ND2 N 15 111.490 0.000 . 1 . . . A 60 ASN ND2 . 19274 1 698 . 1 1 61 61 SER H H 1 9.990 0.000 . 1 . . . A 61 SER H . 19274 1 699 . 1 1 61 61 SER HA H 1 4.300 0.000 . 1 . . . A 61 SER HA . 19274 1 700 . 1 1 61 61 SER HB2 H 1 4.056 0.000 . 2 . . . A 61 SER HB2 . 19274 1 701 . 1 1 61 61 SER HB3 H 1 4.056 0.000 . 2 . . . A 61 SER HB3 . 19274 1 702 . 1 1 61 61 SER C C 13 176.810 0.000 . 1 . . . A 61 SER C . 19274 1 703 . 1 1 61 61 SER CA C 13 60.881 0.000 . 1 . . . A 61 SER CA . 19274 1 704 . 1 1 61 61 SER CB C 13 65.031 0.000 . 1 . . . A 61 SER CB . 19274 1 705 . 1 1 61 61 SER N N 15 118.650 0.000 . 1 . . . A 61 SER N . 19274 1 706 . 1 1 62 62 GLY H H 1 10.440 0.000 . 1 . . . A 62 GLY H . 19274 1 707 . 1 1 62 62 GLY HA2 H 1 3.470 0.000 . 2 . . . A 62 GLY HA2 . 19274 1 708 . 1 1 62 62 GLY HA3 H 1 4.240 0.000 . 2 . . . A 62 GLY HA3 . 19274 1 709 . 1 1 62 62 GLY C C 13 173.960 0.000 . 1 . . . A 62 GLY C . 19274 1 710 . 1 1 62 62 GLY CA C 13 45.330 0.000 . 1 . . . A 62 GLY CA . 19274 1 711 . 1 1 62 62 GLY N N 15 112.630 0.000 . 1 . . . A 62 GLY N . 19274 1 712 . 1 1 63 63 TYR H H 1 8.180 0.000 . 1 . . . A 63 TYR H . 19274 1 713 . 1 1 63 63 TYR HA H 1 5.250 0.000 . 1 . . . A 63 TYR HA . 19274 1 714 . 1 1 63 63 TYR HB2 H 1 2.850 0.000 . 2 . . . A 63 TYR HB2 . 19274 1 715 . 1 1 63 63 TYR HB3 H 1 2.640 0.000 . 2 . . . A 63 TYR HB3 . 19274 1 716 . 1 1 63 63 TYR HD1 H 1 6.780 0.000 . 1 . . . A 63 TYR HD1 . 19274 1 717 . 1 1 63 63 TYR HD2 H 1 6.780 0.000 . 1 . . . A 63 TYR HD2 . 19274 1 718 . 1 1 63 63 TYR HE1 H 1 6.810 0.000 . 1 . . . A 63 TYR HE1 . 19274 1 719 . 1 1 63 63 TYR HE2 H 1 6.810 0.000 . 1 . . . A 63 TYR HE2 . 19274 1 720 . 1 1 63 63 TYR C C 13 173.900 0.000 . 1 . . . A 63 TYR C . 19274 1 721 . 1 1 63 63 TYR CA C 13 57.271 0.000 . 1 . . . A 63 TYR CA . 19274 1 722 . 1 1 63 63 TYR CB C 13 42.760 0.000 . 1 . . . A 63 TYR CB . 19274 1 723 . 1 1 63 63 TYR CD1 C 13 132.020 0.000 . 1 . . . A 63 TYR CD1 . 19274 1 724 . 1 1 63 63 TYR CD2 C 13 132.020 0.000 . 1 . . . A 63 TYR CD2 . 19274 1 725 . 1 1 63 63 TYR CE1 C 13 117.450 0.000 . 1 . . . A 63 TYR CE1 . 19274 1 726 . 1 1 63 63 TYR CE2 C 13 117.450 0.000 . 1 . . . A 63 TYR CE2 . 19274 1 727 . 1 1 63 63 TYR N N 15 121.250 0.000 . 1 . . . A 63 TYR N . 19274 1 728 . 1 1 64 64 VAL H H 1 8.930 0.000 . 1 . . . A 64 VAL H . 19274 1 729 . 1 1 64 64 VAL HA H 1 4.480 0.000 . 1 . . . A 64 VAL HA . 19274 1 730 . 1 1 64 64 VAL HB H 1 1.680 0.000 . 1 . . . A 64 VAL HB . 19274 1 731 . 1 1 64 64 VAL HG11 H 1 0.680 0.000 . 2 . . . A 64 VAL HG11 . 19274 1 732 . 1 1 64 64 VAL HG12 H 1 0.680 0.000 . 2 . . . A 64 VAL HG12 . 19274 1 733 . 1 1 64 64 VAL HG13 H 1 0.680 0.000 . 2 . . . A 64 VAL HG13 . 19274 1 734 . 1 1 64 64 VAL HG21 H 1 0.680 0.000 . 2 . . . A 64 VAL HG21 . 19274 1 735 . 1 1 64 64 VAL HG22 H 1 0.680 0.000 . 2 . . . A 64 VAL HG22 . 19274 1 736 . 1 1 64 64 VAL HG23 H 1 0.680 0.000 . 2 . . . A 64 VAL HG23 . 19274 1 737 . 1 1 64 64 VAL C C 13 174.240 0.000 . 1 . . . A 64 VAL C . 19274 1 738 . 1 1 64 64 VAL CA C 13 60.181 0.000 . 1 . . . A 64 VAL CA . 19274 1 739 . 1 1 64 64 VAL CB C 13 36.590 0.000 . 1 . . . A 64 VAL CB . 19274 1 740 . 1 1 64 64 VAL CG1 C 13 21.800 0.000 . 1 . . . A 64 VAL CG1 . 19274 1 741 . 1 1 64 64 VAL CG2 C 13 21.800 0.000 . 1 . . . A 64 VAL CG2 . 19274 1 742 . 1 1 64 64 VAL N N 15 115.490 0.000 . 1 . . . A 64 VAL N . 19274 1 743 . 1 1 65 65 GLN H H 1 8.870 0.000 . 1 . . . A 65 GLN H . 19274 1 744 . 1 1 65 65 GLN HA H 1 4.430 0.000 . 1 . . . A 65 GLN HA . 19274 1 745 . 1 1 65 65 GLN HB2 H 1 2.200 0.000 . 2 . . . A 65 GLN HB2 . 19274 1 746 . 1 1 65 65 GLN HB3 H 1 1.660 0.000 . 2 . . . A 65 GLN HB3 . 19274 1 747 . 1 1 65 65 GLN HG2 H 1 2.060 0.000 . 2 . . . A 65 GLN HG2 . 19274 1 748 . 1 1 65 65 GLN HG3 H 1 1.650 0.000 . 2 . . . A 65 GLN HG3 . 19274 1 749 . 1 1 65 65 GLN HE21 H 1 6.800 0.000 . 2 . . . A 65 GLN HE21 . 19274 1 750 . 1 1 65 65 GLN HE22 H 1 7.060 0.000 . 2 . . . A 65 GLN HE22 . 19274 1 751 . 1 1 65 65 GLN C C 13 177.110 0.000 . 1 . . . A 65 GLN C . 19274 1 752 . 1 1 65 65 GLN CA C 13 55.171 0.000 . 1 . . . A 65 GLN CA . 19274 1 753 . 1 1 65 65 GLN CB C 13 27.790 0.000 . 1 . . . A 65 GLN CB . 19274 1 754 . 1 1 65 65 GLN CG C 13 34.350 0.000 . 1 . . . A 65 GLN CG . 19274 1 755 . 1 1 65 65 GLN N N 15 128.370 0.000 . 1 . . . A 65 GLN N . 19274 1 756 . 1 1 65 65 GLN NE2 N 15 110.720 0.000 . 1 . . . A 65 GLN NE2 . 19274 1 757 . 1 1 66 66 TYR H H 1 7.490 0.000 . 1 . . . A 66 TYR H . 19274 1 758 . 1 1 66 66 TYR HA H 1 4.010 0.000 . 1 . . . A 66 TYR HA . 19274 1 759 . 1 1 66 66 TYR HB2 H 1 2.420 0.000 . 2 . . . A 66 TYR HB2 . 19274 1 760 . 1 1 66 66 TYR HB3 H 1 2.150 0.000 . 2 . . . A 66 TYR HB3 . 19274 1 761 . 1 1 66 66 TYR HD2 H 1 6.700 0.000 . 1 . . . A 66 TYR HD2 . 19274 1 762 . 1 1 66 66 TYR HE2 H 1 6.780 0.000 . 1 . . . A 66 TYR HE2 . 19274 1 763 . 1 1 66 66 TYR C C 13 176.650 0.000 . 1 . . . A 66 TYR C . 19274 1 764 . 1 1 66 66 TYR CA C 13 60.281 0.000 . 1 . . . A 66 TYR CA . 19274 1 765 . 1 1 66 66 TYR CB C 13 37.510 0.000 . 1 . . . A 66 TYR CB . 19274 1 766 . 1 1 66 66 TYR CD2 C 13 132.930 0.000 . 1 . . . A 66 TYR CD2 . 19274 1 767 . 1 1 66 66 TYR CE2 C 13 116.900 0.000 . 1 . . . A 66 TYR CE2 . 19274 1 768 . 1 1 66 66 TYR N N 15 124.870 0.000 . 1 . . . A 66 TYR N . 19274 1 769 . 1 1 67 67 GLU H H 1 9.010 0.000 . 1 . . . A 67 GLU H . 19274 1 770 . 1 1 67 67 GLU HA H 1 3.950 0.000 . 1 . . . A 67 GLU HA . 19274 1 771 . 1 1 67 67 GLU HB2 H 1 1.960 0.000 . 2 . . . A 67 GLU HB2 . 19274 1 772 . 1 1 67 67 GLU HB3 H 1 1.960 0.000 . 2 . . . A 67 GLU HB3 . 19274 1 773 . 1 1 67 67 GLU HG2 H 1 2.120 0.000 . 2 . . . A 67 GLU HG2 . 19274 1 774 . 1 1 67 67 GLU HG3 H 1 2.120 0.000 . 2 . . . A 67 GLU HG3 . 19274 1 775 . 1 1 67 67 GLU C C 13 179.630 0.000 . 1 . . . A 67 GLU C . 19274 1 776 . 1 1 67 67 GLU CA C 13 60.741 0.000 . 1 . . . A 67 GLU CA . 19274 1 777 . 1 1 67 67 GLU CB C 13 28.910 0.000 . 1 . . . A 67 GLU CB . 19274 1 778 . 1 1 67 67 GLU CG C 13 37.370 0.000 . 1 . . . A 67 GLU CG . 19274 1 779 . 1 1 67 67 GLU N N 15 125.080 0.000 . 1 . . . A 67 GLU N . 19274 1 780 . 1 1 68 68 THR H H 1 7.550 0.000 . 1 . . . A 68 THR H . 19274 1 781 . 1 1 68 68 THR HA H 1 4.000 0.000 . 1 . . . A 68 THR HA . 19274 1 782 . 1 1 68 68 THR HB H 1 4.220 0.000 . 1 . . . A 68 THR HB . 19274 1 783 . 1 1 68 68 THR HG21 H 1 1.260 0.000 . 1 . . . A 68 THR HG21 . 19274 1 784 . 1 1 68 68 THR HG22 H 1 1.260 0.000 . 1 . . . A 68 THR HG22 . 19274 1 785 . 1 1 68 68 THR HG23 H 1 1.260 0.000 . 1 . . . A 68 THR HG23 . 19274 1 786 . 1 1 68 68 THR C C 13 176.510 0.000 . 1 . . . A 68 THR C . 19274 1 787 . 1 1 68 68 THR CA C 13 64.921 0.000 . 1 . . . A 68 THR CA . 19274 1 788 . 1 1 68 68 THR CB C 13 68.451 0.000 . 1 . . . A 68 THR CB . 19274 1 789 . 1 1 68 68 THR CG2 C 13 22.340 0.000 . 1 . . . A 68 THR CG2 . 19274 1 790 . 1 1 68 68 THR N N 15 114.620 0.000 . 1 . . . A 68 THR N . 19274 1 791 . 1 1 69 69 PHE H H 1 7.740 0.000 . 1 . . . A 69 PHE H . 19274 1 792 . 1 1 69 69 PHE HA H 1 4.130 0.000 . 1 . . . A 69 PHE HA . 19274 1 793 . 1 1 69 69 PHE HB2 H 1 2.990 0.000 . 2 . . . A 69 PHE HB2 . 19274 1 794 . 1 1 69 69 PHE HB3 H 1 2.990 0.000 . 2 . . . A 69 PHE HB3 . 19274 1 795 . 1 1 69 69 PHE HD2 H 1 6.960 0.000 . 1 . . . A 69 PHE HD2 . 19274 1 796 . 1 1 69 69 PHE HZ H 1 7.085 0.000 . 1 . . . A 69 PHE HZ . 19274 1 797 . 1 1 69 69 PHE C C 13 177.160 0.000 . 1 . . . A 69 PHE C . 19274 1 798 . 1 1 69 69 PHE CA C 13 61.791 0.000 . 1 . . . A 69 PHE CA . 19274 1 799 . 1 1 69 69 PHE CB C 13 40.070 0.000 . 1 . . . A 69 PHE CB . 19274 1 800 . 1 1 69 69 PHE CD2 C 13 130.700 0.000 . 1 . . . A 69 PHE CD2 . 19274 1 801 . 1 1 69 69 PHE CZ C 13 128.530 0.000 . 1 . . . A 69 PHE CZ . 19274 1 802 . 1 1 69 69 PHE N N 15 122.710 0.000 . 1 . . . A 69 PHE N . 19274 1 803 . 1 1 70 70 VAL H H 1 8.600 0.000 . 1 . . . A 70 VAL H . 19274 1 804 . 1 1 70 70 VAL HA H 1 3.690 0.000 . 1 . . . A 70 VAL HA . 19274 1 805 . 1 1 70 70 VAL HB H 1 2.340 0.000 . 1 . . . A 70 VAL HB . 19274 1 806 . 1 1 70 70 VAL HG11 H 1 1.170 0.000 . 2 . . . A 70 VAL HG11 . 19274 1 807 . 1 1 70 70 VAL HG12 H 1 1.170 0.000 . 2 . . . A 70 VAL HG12 . 19274 1 808 . 1 1 70 70 VAL HG13 H 1 1.170 0.000 . 2 . . . A 70 VAL HG13 . 19274 1 809 . 1 1 70 70 VAL HG21 H 1 1.340 0.000 . 2 . . . A 70 VAL HG21 . 19274 1 810 . 1 1 70 70 VAL HG22 H 1 1.340 0.000 . 2 . . . A 70 VAL HG22 . 19274 1 811 . 1 1 70 70 VAL HG23 H 1 1.340 0.000 . 2 . . . A 70 VAL HG23 . 19274 1 812 . 1 1 70 70 VAL C C 13 178.010 0.000 . 1 . . . A 70 VAL C . 19274 1 813 . 1 1 70 70 VAL CA C 13 66.391 0.000 . 1 . . . A 70 VAL CA . 19274 1 814 . 1 1 70 70 VAL CB C 13 31.620 0.000 . 1 . . . A 70 VAL CB . 19274 1 815 . 1 1 70 70 VAL CG1 C 13 22.330 0.000 . 1 . . . A 70 VAL CG1 . 19274 1 816 . 1 1 70 70 VAL CG2 C 13 24.080 0.000 . 1 . . . A 70 VAL CG2 . 19274 1 817 . 1 1 70 70 VAL N N 15 116.340 0.000 . 1 . . . A 70 VAL N . 19274 1 818 . 1 1 71 71 GLY H H 1 7.690 0.000 . 1 . . . A 71 GLY H . 19274 1 819 . 1 1 71 71 GLY HA2 H 1 3.920 0.000 . 2 . . . A 71 GLY HA2 . 19274 1 820 . 1 1 71 71 GLY HA3 H 1 4.040 0.000 . 2 . . . A 71 GLY HA3 . 19274 1 821 . 1 1 71 71 GLY C C 13 174.980 0.000 . 1 . . . A 71 GLY C . 19274 1 822 . 1 1 71 71 GLY CA C 13 46.750 0.000 . 1 . . . A 71 GLY CA . 19274 1 823 . 1 1 71 71 GLY N N 15 105.990 0.000 . 1 . . . A 71 GLY N . 19274 1 824 . 1 1 72 72 MET H H 1 7.450 0.000 . 1 . . . A 72 MET H . 19274 1 825 . 1 1 72 72 MET HA H 1 4.260 0.000 . 1 . . . A 72 MET HA . 19274 1 826 . 1 1 72 72 MET HB2 H 1 2.010 0.000 . 2 . . . A 72 MET HB2 . 19274 1 827 . 1 1 72 72 MET HB3 H 1 2.010 0.000 . 2 . . . A 72 MET HB3 . 19274 1 828 . 1 1 72 72 MET HG2 H 1 2.620 0.000 . 2 . . . A 72 MET HG2 . 19274 1 829 . 1 1 72 72 MET HG3 H 1 2.520 0.000 . 2 . . . A 72 MET HG3 . 19274 1 830 . 1 1 72 72 MET C C 13 176.400 0.000 . 1 . . . A 72 MET C . 19274 1 831 . 1 1 72 72 MET CA C 13 56.611 0.000 . 1 . . . A 72 MET CA . 19274 1 832 . 1 1 72 72 MET CB C 13 33.000 0.000 . 1 . . . A 72 MET CB . 19274 1 833 . 1 1 72 72 MET CG C 13 31.930 0.000 . 1 . . . A 72 MET CG . 19274 1 834 . 1 1 72 72 MET N N 15 117.740 0.000 . 1 . . . A 72 MET N . 19274 1 835 . 1 1 73 73 LEU H H 1 7.380 0.000 . 1 . . . A 73 LEU H . 19274 1 836 . 1 1 73 73 LEU HA H 1 4.020 0.000 . 1 . . . A 73 LEU HA . 19274 1 837 . 1 1 73 73 LEU HB2 H 1 1.630 0.000 . 2 . . . A 73 LEU HB2 . 19274 1 838 . 1 1 73 73 LEU HB3 H 1 1.200 0.000 . 2 . . . A 73 LEU HB3 . 19274 1 839 . 1 1 73 73 LEU HG H 1 1.440 0.000 . 1 . . . A 73 LEU HG . 19274 1 840 . 1 1 73 73 LEU HD11 H 1 0.680 0.000 . 2 . . . A 73 LEU HD11 . 19274 1 841 . 1 1 73 73 LEU HD12 H 1 0.680 0.000 . 2 . . . A 73 LEU HD12 . 19274 1 842 . 1 1 73 73 LEU HD13 H 1 0.680 0.000 . 2 . . . A 73 LEU HD13 . 19274 1 843 . 1 1 73 73 LEU HD21 H 1 0.850 0.000 . 2 . . . A 73 LEU HD21 . 19274 1 844 . 1 1 73 73 LEU HD22 H 1 0.850 0.000 . 2 . . . A 73 LEU HD22 . 19274 1 845 . 1 1 73 73 LEU HD23 H 1 0.850 0.000 . 2 . . . A 73 LEU HD23 . 19274 1 846 . 1 1 73 73 LEU C C 13 176.700 0.000 . 1 . . . A 73 LEU C . 19274 1 847 . 1 1 73 73 LEU CA C 13 55.521 0.000 . 1 . . . A 73 LEU CA . 19274 1 848 . 1 1 73 73 LEU CB C 13 43.100 0.000 . 1 . . . A 73 LEU CB . 19274 1 849 . 1 1 73 73 LEU CG C 13 26.400 0.000 . 1 . . . A 73 LEU CG . 19274 1 850 . 1 1 73 73 LEU CD1 C 13 23.790 0.000 . 1 . . . A 73 LEU CD1 . 19274 1 851 . 1 1 73 73 LEU CD2 C 13 25.360 0.000 . 1 . . . A 73 LEU CD2 . 19274 1 852 . 1 1 73 73 LEU N N 15 118.370 0.000 . 1 . . . A 73 LEU N . 19274 1 853 . 1 1 74 74 PHE H H 1 7.830 0.000 . 1 . . . A 74 PHE H . 19274 1 854 . 1 1 74 74 PHE HA H 1 4.490 0.000 . 1 . . . A 74 PHE HA . 19274 1 855 . 1 1 74 74 PHE HB2 H 1 3.070 0.000 . 2 . . . A 74 PHE HB2 . 19274 1 856 . 1 1 74 74 PHE HB3 H 1 2.790 0.000 . 2 . . . A 74 PHE HB3 . 19274 1 857 . 1 1 74 74 PHE HD1 H 1 7.260 0.000 . 1 . . . A 74 PHE HD1 . 19274 1 858 . 1 1 74 74 PHE HD2 H 1 7.260 0.000 . 1 . . . A 74 PHE HD2 . 19274 1 859 . 1 1 74 74 PHE HE1 H 1 7.240 0.000 . 1 . . . A 74 PHE HE1 . 19274 1 860 . 1 1 74 74 PHE HE2 H 1 7.240 0.000 . 1 . . . A 74 PHE HE2 . 19274 1 861 . 1 1 74 74 PHE C C 13 175.380 0.000 . 1 . . . A 74 PHE C . 19274 1 862 . 1 1 74 74 PHE CA C 13 57.381 0.000 . 1 . . . A 74 PHE CA . 19274 1 863 . 1 1 74 74 PHE CB C 13 38.410 0.000 . 1 . . . A 74 PHE CB . 19274 1 864 . 1 1 74 74 PHE CD1 C 13 131.170 0.000 . 1 . . . A 74 PHE CD1 . 19274 1 865 . 1 1 74 74 PHE CD2 C 13 131.170 0.000 . 1 . . . A 74 PHE CD2 . 19274 1 866 . 1 1 74 74 PHE CE1 C 13 129.840 0.000 . 1 . . . A 74 PHE CE1 . 19274 1 867 . 1 1 74 74 PHE CE2 C 13 129.840 0.000 . 1 . . . A 74 PHE CE2 . 19274 1 868 . 1 1 74 74 PHE N N 15 117.280 0.000 . 1 . . . A 74 PHE N . 19274 1 869 . 1 1 75 75 LEU H H 1 7.270 0.000 . 1 . . . A 75 LEU H . 19274 1 870 . 1 1 75 75 LEU HA H 1 4.150 0.000 . 1 . . . A 75 LEU HA . 19274 1 871 . 1 1 75 75 LEU HB2 H 1 1.120 0.000 . 2 . . . A 75 LEU HB2 . 19274 1 872 . 1 1 75 75 LEU HB3 H 1 1.070 0.000 . 2 . . . A 75 LEU HB3 . 19274 1 873 . 1 1 75 75 LEU HG H 1 1.260 0.000 . 1 . . . A 75 LEU HG . 19274 1 874 . 1 1 75 75 LEU HD11 H 1 0.740 0.000 . 2 . . . A 75 LEU HD11 . 19274 1 875 . 1 1 75 75 LEU HD12 H 1 0.740 0.000 . 2 . . . A 75 LEU HD12 . 19274 1 876 . 1 1 75 75 LEU HD13 H 1 0.740 0.000 . 2 . . . A 75 LEU HD13 . 19274 1 877 . 1 1 75 75 LEU HD21 H 1 0.740 0.000 . 2 . . . A 75 LEU HD21 . 19274 1 878 . 1 1 75 75 LEU HD22 H 1 0.740 0.000 . 2 . . . A 75 LEU HD22 . 19274 1 879 . 1 1 75 75 LEU HD23 H 1 0.740 0.000 . 2 . . . A 75 LEU HD23 . 19274 1 880 . 1 1 75 75 LEU C C 13 176.640 0.000 . 1 . . . A 75 LEU C . 19274 1 881 . 1 1 75 75 LEU CA C 13 55.451 0.000 . 1 . . . A 75 LEU CA . 19274 1 882 . 1 1 75 75 LEU CB C 13 41.790 0.000 . 1 . . . A 75 LEU CB . 19274 1 883 . 1 1 75 75 LEU CG C 13 26.700 0.000 . 1 . . . A 75 LEU CG . 19274 1 884 . 1 1 75 75 LEU CD1 C 13 25.090 0.000 . 1 . . . A 75 LEU CD1 . 19274 1 885 . 1 1 75 75 LEU CD2 C 13 23.510 0.000 . 1 . . . A 75 LEU CD2 . 19274 1 886 . 1 1 75 75 LEU N N 15 120.310 0.000 . 1 . . . A 75 LEU N . 19274 1 887 . 1 1 76 76 TRP H H 1 7.870 0.000 . 1 . . . A 76 TRP H . 19274 1 888 . 1 1 76 76 TRP HA H 1 4.810 0.000 . 1 . . . A 76 TRP HA . 19274 1 889 . 1 1 76 76 TRP HB2 H 1 3.460 0.000 . 2 . . . A 76 TRP HB2 . 19274 1 890 . 1 1 76 76 TRP HB3 H 1 3.190 0.000 . 2 . . . A 76 TRP HB3 . 19274 1 891 . 1 1 76 76 TRP HD1 H 1 7.260 0.000 . 1 . . . A 76 TRP HD1 . 19274 1 892 . 1 1 76 76 TRP HE1 H 1 10.140 0.000 . 1 . . . A 76 TRP HE1 . 19274 1 893 . 1 1 76 76 TRP HZ2 H 1 7.340 0.000 . 1 . . . A 76 TRP HZ2 . 19274 1 894 . 1 1 76 76 TRP HZ3 H 1 7.060 0.000 . 1 . . . A 76 TRP HZ3 . 19274 1 895 . 1 1 76 76 TRP HH2 H 1 7.040 0.000 . 1 . . . A 76 TRP HH2 . 19274 1 896 . 1 1 76 76 TRP C C 13 175.050 0.000 . 1 . . . A 76 TRP C . 19274 1 897 . 1 1 76 76 TRP CA C 13 57.081 0.000 . 1 . . . A 76 TRP CA . 19274 1 898 . 1 1 76 76 TRP CB C 13 29.700 0.000 . 1 . . . A 76 TRP CB . 19274 1 899 . 1 1 76 76 TRP CD1 C 13 126.120 0.000 . 1 . . . A 76 TRP CD1 . 19274 1 900 . 1 1 76 76 TRP CZ2 C 13 113.470 0.000 . 1 . . . A 76 TRP CZ2 . 19274 1 901 . 1 1 76 76 TRP CZ3 C 13 120.690 0.000 . 1 . . . A 76 TRP CZ3 . 19274 1 902 . 1 1 76 76 TRP CH2 C 13 123.090 0.000 . 1 . . . A 76 TRP CH2 . 19274 1 903 . 1 1 76 76 TRP N N 15 119.350 0.000 . 1 . . . A 76 TRP N . 19274 1 904 . 1 1 76 76 TRP NE1 N 15 129.260 0.000 . 1 . . . A 76 TRP NE1 . 19274 1 905 . 1 1 77 77 ASP H H 1 7.970 0.000 . 1 . . . A 77 ASP H . 19274 1 906 . 1 1 77 77 ASP HB2 H 1 2.750 0.000 . 2 . . . A 77 ASP HB2 . 19274 1 907 . 1 1 77 77 ASP HB3 H 1 2.620 0.000 . 2 . . . A 77 ASP HB3 . 19274 1 908 . 1 1 77 77 ASP CA C 13 56.291 0.000 . 1 . . . A 77 ASP CA . 19274 1 909 . 1 1 77 77 ASP CB C 13 42.620 0.000 . 1 . . . A 77 ASP CB . 19274 1 910 . 1 1 77 77 ASP N N 15 126.550 0.000 . 1 . . . A 77 ASP N . 19274 1 stop_ save_