data_52075 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52075 _Entry.Title ; NMR Assignments and Structure for the Dimeric Kinesin Neck Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-08-08 _Entry.Accession_date 2023-08-08 _Entry.Last_release_date 2023-08-09 _Entry.Original_release_date 2023-08-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Diana Seo . . . . 52075 2 Richard Kammerer . . . . 52075 3 Andrei Alexandrescu . . . . 52075 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52075 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 243 52075 '15N chemical shifts' 61 52075 '1H chemical shifts' 400 52075 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2023-11-22 2023-08-08 update BMRB 'update entry citation' 52075 1 . . 2023-10-29 2023-08-08 original author 'original release' 52075 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52075 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37861970 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Solution NMR assignments and structure for the dimeric kinesin neck domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 17 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 301 _Citation.Page_last 307 _Citation.Year 2023 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Diana Seo . . . . 52075 1 2 Richard Kammerer . . . . 52075 1 3 Andrei Alexandrescu . . . . 52075 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52075 _Assembly.ID 1 _Assembly.Name 'Kinesin Neck Domain homodimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'Homodimeric kinesin neck fragment: Kif5c (UniProt P56536) residues K325-V376.' _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 'Kinesin Neck Domain, Chain A' 1 $entity_1 . . yes native no no . . . 52075 1 2 'Kinesin Neck Domain, Chain B' 1 $entity_1 . . yes native no no . . . 52075 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 3KIN . . X-ray . . . 52075 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52075 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSKTIKNTVSVNLELTAEEW KKKYEKEKEKNKALKSVIQH LEVELNRWRNGEAV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 54 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not available' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'kinesin_neck fragment: Kif5c (UniProt P56536) residues K325-V376.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 323 GLY . 52075 1 2 324 SER . 52075 1 3 325 LYS . 52075 1 4 326 THR . 52075 1 5 327 ILE . 52075 1 6 328 LYS . 52075 1 7 329 ASN . 52075 1 8 330 THR . 52075 1 9 331 VAL . 52075 1 10 332 SER . 52075 1 11 333 VAL . 52075 1 12 334 ASN . 52075 1 13 335 LEU . 52075 1 14 336 GLU . 52075 1 15 337 LEU . 52075 1 16 338 THR . 52075 1 17 339 ALA . 52075 1 18 340 GLU . 52075 1 19 341 GLU . 52075 1 20 342 TRP . 52075 1 21 343 LYS . 52075 1 22 344 LYS . 52075 1 23 345 LYS . 52075 1 24 346 TYR . 52075 1 25 347 GLU . 52075 1 26 348 LYS . 52075 1 27 349 GLU . 52075 1 28 350 LYS . 52075 1 29 351 GLU . 52075 1 30 352 LYS . 52075 1 31 353 ASN . 52075 1 32 354 LYS . 52075 1 33 355 ALA . 52075 1 34 356 LEU . 52075 1 35 357 LYS . 52075 1 36 358 SER . 52075 1 37 359 VAL . 52075 1 38 360 ILE . 52075 1 39 361 GLN . 52075 1 40 362 HIS . 52075 1 41 363 LEU . 52075 1 42 364 GLU . 52075 1 43 365 VAL . 52075 1 44 366 GLU . 52075 1 45 367 LEU . 52075 1 46 368 ASN . 52075 1 47 369 ARG . 52075 1 48 370 TRP . 52075 1 49 371 ARG . 52075 1 50 372 ASN . 52075 1 51 373 GLY . 52075 1 52 374 GLU . 52075 1 53 375 ALA . 52075 1 54 376 VAL . 52075 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 52075 1 . SER 2 2 52075 1 . LYS 3 3 52075 1 . THR 4 4 52075 1 . ILE 5 5 52075 1 . LYS 6 6 52075 1 . ASN 7 7 52075 1 . THR 8 8 52075 1 . VAL 9 9 52075 1 . SER 10 10 52075 1 . VAL 11 11 52075 1 . ASN 12 12 52075 1 . LEU 13 13 52075 1 . GLU 14 14 52075 1 . LEU 15 15 52075 1 . THR 16 16 52075 1 . ALA 17 17 52075 1 . GLU 18 18 52075 1 . GLU 19 19 52075 1 . TRP 20 20 52075 1 . LYS 21 21 52075 1 . LYS 22 22 52075 1 . LYS 23 23 52075 1 . TYR 24 24 52075 1 . GLU 25 25 52075 1 . LYS 26 26 52075 1 . GLU 27 27 52075 1 . LYS 28 28 52075 1 . GLU 29 29 52075 1 . LYS 30 30 52075 1 . ASN 31 31 52075 1 . LYS 32 32 52075 1 . ALA 33 33 52075 1 . LEU 34 34 52075 1 . LYS 35 35 52075 1 . SER 36 36 52075 1 . VAL 37 37 52075 1 . ILE 38 38 52075 1 . GLN 39 39 52075 1 . HIS 40 40 52075 1 . LEU 41 41 52075 1 . GLU 42 42 52075 1 . VAL 43 43 52075 1 . GLU 44 44 52075 1 . LEU 45 45 52075 1 . ASN 46 46 52075 1 . ARG 47 47 52075 1 . TRP 48 48 52075 1 . ARG 49 49 52075 1 . ASN 50 50 52075 1 . GLY 51 51 52075 1 . GLU 52 52 52075 1 . ALA 53 53 52075 1 . VAL 54 54 52075 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52075 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . 52075 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52075 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pHisTrx2 . . . 52075 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52075 _Sample.ID 1 _Sample.Name 'H2O sample' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 'Kinesin Neck Domain' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.75 0.5 1.0 mM . . . . 52075 1 2 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 52075 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 52075 _Sample.ID 2 _Sample.Name 'D2O sample' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '100% 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 'Kinesin Neck Domain' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.75 0.5 1.0 mM . . . . 52075 2 2 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 52075 2 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 52075 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Sample conditions' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 52075 1 pH 6.1 . pH 52075 1 pressure 1 . atm 52075 1 temperature 310 . K 52075 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52075 _Software.ID 1 _Software.Type . _Software.Name ANALYSIS _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52075 1 'data analysis' . 52075 1 'peak picking' . 52075 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52075 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '600 MHz Agilent UCHC' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 52075 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name '600 MHz Bruker UCHC' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 52075 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name '500 MHz Bruker Storrs' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52075 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52075 1 2 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52075 1 3 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52075 1 4 '3D HN(CO)CA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52075 1 5 '3D 1H-15N TOCSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52075 1 6 '3D 1H-15N NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52075 1 7 '2D 1H-13C HSQC' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 52075 1 8 '3D HCACO' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 52075 1 9 '3D (H)CCH-TOCSY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52075 1 10 '3D 1H-13C NOESY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52075 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52075 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Chem Shift Referencing' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 52075 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1 . . . . . 52075 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52075 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52075 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Kinesin_neck_NMR_assignments _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 52075 1 2 '3D HNCACB' . . . 52075 1 3 '3D HNCA' . . . 52075 1 4 '3D HN(CO)CA' . . . 52075 1 5 '3D 1H-15N TOCSY' . . . 52075 1 6 '3D 1H-15N NOESY' . . . 52075 1 7 '2D 1H-13C HSQC' . . . 52075 1 8 '3D HCACO' . . . 52075 1 9 '3D (H)CCH-TOCSY' . . . 52075 1 10 '3D 1H-13C NOESY' . . . 52075 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52075 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY HA2 H 1 3.980 0.012 . 1 . . . . . 323 GLY HA2 . 52075 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.980 0.012 . 1 . . . . . 323 GLY HA3 . 52075 1 3 . 1 . 1 1 1 GLY C C 13 173.744 0.000 . 1 . . . . . 323 GLY C . 52075 1 4 . 1 . 1 1 1 GLY CA C 13 45.221 0.686 . 1 . . . . . 323 GLY CA . 52075 1 5 . 1 . 1 2 2 SER H H 1 8.153 0.003 . 1 . . . . . 324 SER H . 52075 1 6 . 1 . 1 2 2 SER HA H 1 3.958 0.008 . 1 . . . . . 324 SER HA . 52075 1 7 . 1 . 1 2 2 SER HB2 H 1 3.751 0.000 . 1 . . . . . 324 SER HB2 . 52075 1 8 . 1 . 1 2 2 SER HB3 H 1 3.751 0.000 . 1 . . . . . 324 SER HB3 . 52075 1 9 . 1 . 1 2 2 SER C C 13 179.050 0.000 . 1 . . . . . 324 SER C . 52075 1 10 . 1 . 1 2 2 SER CA C 13 59.763 0.351 . 1 . . . . . 324 SER CA . 52075 1 11 . 1 . 1 2 2 SER CB C 13 66.731 0.000 . 1 . . . . . 324 SER CB . 52075 1 12 . 1 . 1 2 2 SER N N 15 114.071 0.147 . 1 . . . . . 324 SER N . 52075 1 13 . 1 . 1 3 3 LYS H H 1 8.081 0.007 . 1 . . . . . 325 LYS H . 52075 1 14 . 1 . 1 3 3 LYS HA H 1 4.281 0.011 . 1 . . . . . 325 LYS HA . 52075 1 15 . 1 . 1 3 3 LYS HB2 H 1 1.797 0.000 . 2 . . . . . 325 LYS HB2 . 52075 1 16 . 1 . 1 3 3 LYS HB3 H 1 1.753 0.000 . 2 . . . . . 325 LYS HB3 . 52075 1 17 . 1 . 1 3 3 LYS HG2 H 1 1.428 0.000 . 1 . . . . . 325 LYS HG2 . 52075 1 18 . 1 . 1 3 3 LYS HG3 H 1 1.428 0.000 . 1 . . . . . 325 LYS HG3 . 52075 1 19 . 1 . 1 3 3 LYS HD2 H 1 1.677 0.000 . 1 . . . . . 325 LYS HD2 . 52075 1 20 . 1 . 1 3 3 LYS HD3 H 1 1.677 0.000 . 1 . . . . . 325 LYS HD3 . 52075 1 21 . 1 . 1 3 3 LYS HE2 H 1 2.980 0.000 . 1 . . . . . 325 LYS HE2 . 52075 1 22 . 1 . 1 3 3 LYS HE3 H 1 2.980 0.000 . 1 . . . . . 325 LYS HE3 . 52075 1 23 . 1 . 1 3 3 LYS C C 13 177.802 0.000 . 1 . . . . . 325 LYS C . 52075 1 24 . 1 . 1 3 3 LYS CA C 13 55.858 0.425 . 1 . . . . . 325 LYS CA . 52075 1 25 . 1 . 1 3 3 LYS CB C 13 33.045 0.000 . 1 . . . . . 325 LYS CB . 52075 1 26 . 1 . 1 3 3 LYS CG C 13 24.690 0.000 . 1 . . . . . 325 LYS CG . 52075 1 27 . 1 . 1 3 3 LYS CD C 13 28.871 0.000 . 1 . . . . . 325 LYS CD . 52075 1 28 . 1 . 1 3 3 LYS CE C 13 41.817 0.000 . 1 . . . . . 325 LYS CE . 52075 1 29 . 1 . 1 3 3 LYS N N 15 125.143 0.169 . 1 . . . . . 325 LYS N . 52075 1 30 . 1 . 1 4 4 THR H H 1 8.199 0.007 . 1 . . . . . 326 THR H . 52075 1 31 . 1 . 1 4 4 THR HA H 1 4.137 0.000 . 1 . . . . . 326 THR HA . 52075 1 32 . 1 . 1 4 4 THR HB H 1 4.331 0.000 . 1 . . . . . 326 THR HB . 52075 1 33 . 1 . 1 4 4 THR HG21 H 1 1.168 0.000 . 1 . . . . . 326 THR HG21 . 52075 1 34 . 1 . 1 4 4 THR HG22 H 1 1.168 0.000 . 1 . . . . . 326 THR HG22 . 52075 1 35 . 1 . 1 4 4 THR HG23 H 1 1.168 0.000 . 1 . . . . . 326 THR HG23 . 52075 1 36 . 1 . 1 4 4 THR C C 13 174.871 0.000 . 1 . . . . . 326 THR C . 52075 1 37 . 1 . 1 4 4 THR CA C 13 61.66 0.036 . 1 . . . . . 326 THR CA . 52075 1 38 . 1 . 1 4 4 THR CB C 13 69.61 0.000 . 1 . . . . . 326 THR CB . 52075 1 39 . 1 . 1 4 4 THR CG2 C 13 21.501 0.000 . 1 . . . . . 326 THR CG2 . 52075 1 40 . 1 . 1 4 4 THR N N 15 117.248 0.203 . 1 . . . . . 326 THR N . 52075 1 41 . 1 . 1 5 5 ILE H H 1 8.165 0.008 . 1 . . . . . 327 ILE H . 52075 1 42 . 1 . 1 5 5 ILE HA H 1 4.211 0.023 . 1 . . . . . 327 ILE HA . 52075 1 43 . 1 . 1 5 5 ILE HB H 1 1.847 0.000 . 1 . . . . . 327 ILE HB . 52075 1 44 . 1 . 1 5 5 ILE HG12 H 1 1.458 0.000 . 2 . . . . . 327 ILE HG12 . 52075 1 45 . 1 . 1 5 5 ILE HG13 H 1 1.173 0.000 . 2 . . . . . 327 ILE HG13 . 52075 1 46 . 1 . 1 5 5 ILE HG21 H 1 0.887 0.000 . 1 . . . . . 327 ILE HG21 . 52075 1 47 . 1 . 1 5 5 ILE HG22 H 1 0.887 0.000 . 1 . . . . . 327 ILE HG22 . 52075 1 48 . 1 . 1 5 5 ILE HG23 H 1 0.887 0.000 . 1 . . . . . 327 ILE HG23 . 52075 1 49 . 1 . 1 5 5 ILE HD11 H 1 0.849 0.000 . 1 . . . . . 327 ILE HD11 . 52075 1 50 . 1 . 1 5 5 ILE HD12 H 1 0.849 0.000 . 1 . . . . . 327 ILE HD12 . 52075 1 51 . 1 . 1 5 5 ILE HD13 H 1 0.849 0.000 . 1 . . . . . 327 ILE HD13 . 52075 1 52 . 1 . 1 5 5 ILE C C 13 176.346 0.000 . 1 . . . . . 327 ILE C . 52075 1 53 . 1 . 1 5 5 ILE CA C 13 60.301 0.600 . 1 . . . . . 327 ILE CA . 52075 1 54 . 1 . 1 5 5 ILE CB C 13 38.496 0.080 . 1 . . . . . 327 ILE CB . 52075 1 55 . 1 . 1 5 5 ILE CG1 C 13 27.065 0.062 . 1 . . . . . 327 ILE CG1 . 52075 1 56 . 1 . 1 5 5 ILE CG2 C 13 17.309 0.000 . 1 . . . . . 327 ILE CG2 . 52075 1 57 . 1 . 1 5 5 ILE CD1 C 13 12.650 0.020 . 1 . . . . . 327 ILE CD1 . 52075 1 58 . 1 . 1 5 5 ILE N N 15 124.313 0.143 . 1 . . . . . 327 ILE N . 52075 1 59 . 1 . 1 6 6 LYS H H 1 8.330 0.004 . 1 . . . . . 328 LYS H . 52075 1 60 . 1 . 1 6 6 LYS HA H 1 4.378 0.026 . 1 . . . . . 328 LYS HA . 52075 1 61 . 1 . 1 6 6 LYS HB2 H 1 1.861 0.000 . 1 . . . . . 328 LYS HB2 . 52075 1 62 . 1 . 1 6 6 LYS HB3 H 1 1.861 0.000 . 1 . . . . . 328 LYS HB3 . 52075 1 63 . 1 . 1 6 6 LYS HG2 H 1 1.429 0.000 . 1 . . . . . 328 LYS HG2 . 52075 1 64 . 1 . 1 6 6 LYS HG3 H 1 1.429 0.000 . 1 . . . . . 328 LYS HG3 . 52075 1 65 . 1 . 1 6 6 LYS HD2 H 1 1.678 0.000 . 1 . . . . . 328 LYS HD2 . 52075 1 66 . 1 . 1 6 6 LYS HD3 H 1 1.678 0.000 . 1 . . . . . 328 LYS HD3 . 52075 1 67 . 1 . 1 6 6 LYS HE2 H 1 2.988 0.000 . 1 . . . . . 328 LYS HE2 . 52075 1 68 . 1 . 1 6 6 LYS HE3 H 1 2.988 0.000 . 1 . . . . . 328 LYS HE3 . 52075 1 69 . 1 . 1 6 6 LYS C C 13 176.585 0.000 . 1 . . . . . 328 LYS C . 52075 1 70 . 1 . 1 6 6 LYS CA C 13 55.762 0.326 . 1 . . . . . 328 LYS CA . 52075 1 71 . 1 . 1 6 6 LYS CB C 13 32.988 0.000 . 1 . . . . . 328 LYS CB . 52075 1 72 . 1 . 1 6 6 LYS CG C 13 24.621 0.000 . 1 . . . . . 328 LYS CG . 52075 1 73 . 1 . 1 6 6 LYS CD C 13 28.858 0.000 . 1 . . . . . 328 LYS CD . 52075 1 74 . 1 . 1 6 6 LYS CE C 13 41.715 0.000 . 1 . . . . . 328 LYS CE . 52075 1 75 . 1 . 1 6 6 LYS N N 15 125.883 0.206 . 1 . . . . . 328 LYS N . 52075 1 76 . 1 . 1 7 7 ASN H H 1 8.445 0.012 . 1 . . . . . 329 ASN H . 52075 1 77 . 1 . 1 7 7 ASN HA H 1 4.751 0.000 . 1 . . . . . 329 ASN HA . 52075 1 78 . 1 . 1 7 7 ASN HB2 H 1 2.835 0.000 . 2 . . . . . 329 ASN HB2 . 52075 1 79 . 1 . 1 7 7 ASN HB3 H 1 2.777 0.000 . 2 . . . . . 329 ASN HB3 . 52075 1 80 . 1 . 1 7 7 ASN HD21 H 1 7.561 0.000 . 1 . . . . . 329 ASN HD21 . 52075 1 81 . 1 . 1 7 7 ASN HD22 H 1 6.874 0.000 . 1 . . . . . 329 ASN HD22 . 52075 1 82 . 1 . 1 7 7 ASN CA C 13 52.142 0.000 . 1 . . . . . 329 ASN CA . 52075 1 83 . 1 . 1 7 7 ASN CB C 13 38.757 0.000 . 1 . . . . . 329 ASN CB . 52075 1 84 . 1 . 1 7 7 ASN N N 15 120.742 0.211 . 1 . . . . . 329 ASN N . 52075 1 85 . 1 . 1 7 7 ASN ND2 N 15 112.475 0.005 . 1 . . . . . 329 ASN ND2 . 52075 1 86 . 1 . 1 8 8 THR H H 1 8.113 0.002 . 1 . . . . . 330 THR H . 52075 1 87 . 1 . 1 8 8 THR HA H 1 4.335 0.000 . 1 . . . . . 330 THR HA . 52075 1 88 . 1 . 1 8 8 THR HB H 1 4.224 0.000 . 1 . . . . . 330 THR HB . 52075 1 89 . 1 . 1 8 8 THR HG21 H 1 1.184 0.000 . 1 . . . . . 330 THR HG21 . 52075 1 90 . 1 . 1 8 8 THR HG22 H 1 1.184 0.000 . 1 . . . . . 330 THR HG22 . 52075 1 91 . 1 . 1 8 8 THR HG23 H 1 1.184 0.000 . 1 . . . . . 330 THR HG23 . 52075 1 92 . 1 . 1 8 8 THR CA C 13 61.479 0.000 . 1 . . . . . 330 THR CA . 52075 1 93 . 1 . 1 8 8 THR CB C 13 69.590 0.000 . 1 . . . . . 330 THR CB . 52075 1 94 . 1 . 1 8 8 THR CG2 C 13 21.466 0.026 . 1 . . . . . 330 THR CG2 . 52075 1 95 . 1 . 1 8 8 THR N N 15 115.041 0.148 . 1 . . . . . 330 THR N . 52075 1 96 . 1 . 1 9 9 VAL H H 1 8.104 0.008 . 1 . . . . . 331 VAL H . 52075 1 97 . 1 . 1 9 9 VAL HA H 1 4.226 0.034 . 1 . . . . . 331 VAL HA . 52075 1 98 . 1 . 1 9 9 VAL HB H 1 2.118 0.017 . 1 . . . . . 331 VAL HB . 52075 1 99 . 1 . 1 9 9 VAL HG11 H 1 0.937 0.000 . 2 . . . . . 331 VAL HG11 . 52075 1 100 . 1 . 1 9 9 VAL HG12 H 1 0.937 0.000 . 2 . . . . . 331 VAL HG12 . 52075 1 101 . 1 . 1 9 9 VAL HG13 H 1 0.937 0.000 . 2 . . . . . 331 VAL HG13 . 52075 1 102 . 1 . 1 9 9 VAL HG21 H 1 0.932 0.000 . 2 . . . . . 331 VAL HG21 . 52075 1 103 . 1 . 1 9 9 VAL HG22 H 1 0.932 0.000 . 2 . . . . . 331 VAL HG22 . 52075 1 104 . 1 . 1 9 9 VAL HG23 H 1 0.932 0.000 . 2 . . . . . 331 VAL HG23 . 52075 1 105 . 1 . 1 9 9 VAL C C 13 175.322 0.000 . 1 . . . . . 331 VAL C . 52075 1 106 . 1 . 1 9 9 VAL CA C 13 61.634 0.556 . 1 . . . . . 331 VAL CA . 52075 1 107 . 1 . 1 9 9 VAL CB C 13 33.131 0.000 . 1 . . . . . 331 VAL CB . 52075 1 108 . 1 . 1 9 9 VAL CG1 C 13 20.980 0.000 . 1 . . . . . 331 VAL CG1 . 52075 1 109 . 1 . 1 9 9 VAL N N 15 122.490 0.206 . 1 . . . . . 331 VAL N . 52075 1 110 . 1 . 1 10 10 SER H H 1 8.335 0.009 . 1 . . . . . 332 SER H . 52075 1 111 . 1 . 1 10 10 SER HA H 1 4.565 0.044 . 1 . . . . . 332 SER HA . 52075 1 112 . 1 . 1 10 10 SER HB2 H 1 3.886 0.014 . 2 . . . . . 332 SER HB2 . 52075 1 113 . 1 . 1 10 10 SER HB3 H 1 3.856 0.000 . 2 . . . . . 332 SER HB3 . 52075 1 114 . 1 . 1 10 10 SER C C 13 174.384 0.000 . 1 . . . . . 332 SER C . 52075 1 115 . 1 . 1 10 10 SER CA C 13 57.554 0.459 . 1 . . . . . 332 SER CA . 52075 1 116 . 1 . 1 10 10 SER CB C 13 63.633 0.000 . 1 . . . . . 332 SER CB . 52075 1 117 . 1 . 1 10 10 SER N N 15 119.882 0.202 . 1 . . . . . 332 SER N . 52075 1 118 . 1 . 1 11 11 VAL H H 1 8.098 0.011 . 1 . . . . . 333 VAL H . 52075 1 119 . 1 . 1 11 11 VAL HA H 1 4.199 0.018 . 1 . . . . . 333 VAL HA . 52075 1 120 . 1 . 1 11 11 VAL HB H 1 2.110 0.018 . 1 . . . . . 333 VAL HB . 52075 1 121 . 1 . 1 11 11 VAL HG11 H 1 0.936 0.000 . 2 . . . . . 333 VAL HG11 . 52075 1 122 . 1 . 1 11 11 VAL HG12 H 1 0.936 0.000 . 2 . . . . . 333 VAL HG12 . 52075 1 123 . 1 . 1 11 11 VAL HG13 H 1 0.936 0.000 . 2 . . . . . 333 VAL HG13 . 52075 1 124 . 1 . 1 11 11 VAL HG21 H 1 0.932 0.000 . 2 . . . . . 333 VAL HG21 . 52075 1 125 . 1 . 1 11 11 VAL HG22 H 1 0.932 0.000 . 2 . . . . . 333 VAL HG22 . 52075 1 126 . 1 . 1 11 11 VAL HG23 H 1 0.932 0.000 . 2 . . . . . 333 VAL HG23 . 52075 1 127 . 1 . 1 11 11 VAL C C 13 175.023 0.000 . 1 . . . . . 333 VAL C . 52075 1 128 . 1 . 1 11 11 VAL CA C 13 61.548 0.500 . 1 . . . . . 333 VAL CA . 52075 1 129 . 1 . 1 11 11 VAL CB C 13 32.922 0.000 . 1 . . . . . 333 VAL CB . 52075 1 130 . 1 . 1 11 11 VAL CG1 C 13 20.905 0.000 . 2 . . . . . 333 VAL CG1 . 52075 1 131 . 1 . 1 11 11 VAL CG2 C 13 20.268 0.000 . 2 . . . . . 333 VAL CG2 . 52075 1 132 . 1 . 1 11 11 VAL N N 15 121.803 0.193 . 1 . . . . . 333 VAL N . 52075 1 133 . 1 . 1 12 12 ASN H H 1 8.428 0.004 . 1 . . . . . 334 ASN H . 52075 1 134 . 1 . 1 12 12 ASN HA H 1 4.756 0.000 . 1 . . . . . 334 ASN HA . 52075 1 135 . 1 . 1 12 12 ASN HB2 H 1 2.845 0.000 . 2 . . . . . 334 ASN HB2 . 52075 1 136 . 1 . 1 12 12 ASN HB3 H 1 2.769 0.000 . 2 . . . . . 334 ASN HB3 . 52075 1 137 . 1 . 1 12 12 ASN HD21 H 1 7.549 0.000 . 1 . . . . . 334 ASN HD21 . 52075 1 138 . 1 . 1 12 12 ASN HD22 H 1 7.011 0.000 . 1 . . . . . 334 ASN HD22 . 52075 1 139 . 1 . 1 12 12 ASN C C 13 175.219 0.000 . 1 . . . . . 334 ASN C . 52075 1 140 . 1 . 1 12 12 ASN CA C 13 53.407 0.297 . 1 . . . . . 334 ASN CA . 52075 1 141 . 1 . 1 12 12 ASN CB C 13 38.775 0.000 . 1 . . . . . 334 ASN CB . 52075 1 142 . 1 . 1 12 12 ASN N N 15 122.501 0.291 . 1 . . . . . 334 ASN N . 52075 1 143 . 1 . 1 12 12 ASN ND2 N 15 113.136 0.007 . 1 . . . . . 334 ASN ND2 . 52075 1 144 . 1 . 1 13 13 LEU H H 1 8.253 0.012 . 1 . . . . . 335 LEU H . 52075 1 145 . 1 . 1 13 13 LEU HA H 1 4.366 0.030 . 1 . . . . . 335 LEU HA . 52075 1 146 . 1 . 1 13 13 LEU HB2 H 1 1.685 0.017 . 2 . . . . . 335 LEU HB2 . 52075 1 147 . 1 . 1 13 13 LEU HB3 H 1 1.607 0.000 . 2 . . . . . 335 LEU HB3 . 52075 1 148 . 1 . 1 13 13 LEU HG H 1 1.625 0.000 . 1 . . . . . 335 LEU HG . 52075 1 149 . 1 . 1 13 13 LEU HD11 H 1 0.920 0.000 . 2 . . . . . 335 LEU HD11 . 52075 1 150 . 1 . 1 13 13 LEU HD12 H 1 0.920 0.000 . 2 . . . . . 335 LEU HD12 . 52075 1 151 . 1 . 1 13 13 LEU HD13 H 1 0.920 0.000 . 2 . . . . . 335 LEU HD13 . 52075 1 152 . 1 . 1 13 13 LEU HD21 H 1 0.868 0.000 . 2 . . . . . 335 LEU HD21 . 52075 1 153 . 1 . 1 13 13 LEU HD22 H 1 0.868 0.000 . 2 . . . . . 335 LEU HD22 . 52075 1 154 . 1 . 1 13 13 LEU HD23 H 1 0.868 0.000 . 2 . . . . . 335 LEU HD23 . 52075 1 155 . 1 . 1 13 13 LEU C C 13 176.545 0.000 . 1 . . . . . 335 LEU C . 52075 1 156 . 1 . 1 13 13 LEU CA C 13 54.956 0.611 . 1 . . . . . 335 LEU CA . 52075 1 157 . 1 . 1 13 13 LEU CB C 13 42.763 0.000 . 1 . . . . . 335 LEU CB . 52075 1 158 . 1 . 1 13 13 LEU CG C 13 26.931 0.000 . 1 . . . . . 335 LEU CG . 52075 1 159 . 1 . 1 13 13 LEU CD1 C 13 24.887 0.000 . 2 . . . . . 335 LEU CD1 . 52075 1 160 . 1 . 1 13 13 LEU CD2 C 13 23.423 0.000 . 2 . . . . . 335 LEU CD2 . 52075 1 161 . 1 . 1 13 13 LEU N N 15 123.759 0.146 . 1 . . . . . 335 LEU N . 52075 1 162 . 1 . 1 14 14 GLU H H 1 8.357 0.009 . 1 . . . . . 336 GLU H . 52075 1 163 . 1 . 1 14 14 GLU HA H 1 4.483 0.023 . 1 . . . . . 336 GLU HA . 52075 1 164 . 1 . 1 14 14 GLU HB2 H 1 2.091 0.007 . 2 . . . . . 336 GLU HB2 . 52075 1 165 . 1 . 1 14 14 GLU HB3 H 1 2.098 0.000 . 2 . . . . . 336 GLU HB3 . 52075 1 166 . 1 . 1 14 14 GLU HG2 H 1 2.341 0.005 . 2 . . . . . 336 GLU HG2 . 52075 1 167 . 1 . 1 14 14 GLU HG3 H 1 2.302 0.034 . 2 . . . . . 336 GLU HG3 . 52075 1 168 . 1 . 1 14 14 GLU C C 13 175.935 0.000 . 1 . . . . . 336 GLU C . 52075 1 169 . 1 . 1 14 14 GLU CA C 13 56.001 0.452 . 1 . . . . . 336 GLU CA . 52075 1 170 . 1 . 1 14 14 GLU CB C 13 31.023 0.000 . 1 . . . . . 336 GLU CB . 52075 1 171 . 1 . 1 14 14 GLU CG C 13 36.207 0.000 . 1 . . . . . 336 GLU CG . 52075 1 172 . 1 . 1 14 14 GLU N N 15 122.754 0.188 . 1 . . . . . 336 GLU N . 52075 1 173 . 1 . 1 15 15 LEU H H 1 8.020 0.011 . 1 . . . . . 337 LEU H . 52075 1 174 . 1 . 1 15 15 LEU HA H 1 4.442 0.020 . 1 . . . . . 337 LEU HA . 52075 1 175 . 1 . 1 15 15 LEU HB2 H 1 1.022 0.020 . 2 . . . . . 337 LEU HB2 . 52075 1 176 . 1 . 1 15 15 LEU HB3 H 1 0.902 0.000 . 2 . . . . . 337 LEU HB3 . 52075 1 177 . 1 . 1 15 15 LEU HG H 1 1.253 0.000 . 1 . . . . . 337 LEU HG . 52075 1 178 . 1 . 1 15 15 LEU HD11 H 1 0.072 0.000 . 2 . . . . . 337 LEU HD11 . 52075 1 179 . 1 . 1 15 15 LEU HD12 H 1 0.072 0.000 . 2 . . . . . 337 LEU HD12 . 52075 1 180 . 1 . 1 15 15 LEU HD13 H 1 0.072 0.000 . 2 . . . . . 337 LEU HD13 . 52075 1 181 . 1 . 1 15 15 LEU HD21 H 1 0.378 0.000 . 2 . . . . . 337 LEU HD21 . 52075 1 182 . 1 . 1 15 15 LEU HD22 H 1 0.378 0.000 . 2 . . . . . 337 LEU HD22 . 52075 1 183 . 1 . 1 15 15 LEU HD23 H 1 0.378 0.000 . 2 . . . . . 337 LEU HD23 . 52075 1 184 . 1 . 1 15 15 LEU C C 13 177.121 0.000 . 1 . . . . . 337 LEU C . 52075 1 185 . 1 . 1 15 15 LEU CA C 13 54.332 0.456 . 1 . . . . . 337 LEU CA . 52075 1 186 . 1 . 1 15 15 LEU CB C 13 41.727 0.010 . 1 . . . . . 337 LEU CB . 52075 1 187 . 1 . 1 15 15 LEU CG C 13 27.142 0.000 . 1 . . . . . 337 LEU CG . 52075 1 188 . 1 . 1 15 15 LEU CD1 C 13 24.161 0.001 . 1 . . . . . 337 LEU CD1 . 52075 1 189 . 1 . 1 15 15 LEU N N 15 123.430 0.181 . 1 . . . . . 337 LEU N . 52075 1 190 . 1 . 1 16 16 THR H H 1 8.259 0.002 . 1 . . . . . 338 THR H . 52075 1 191 . 1 . 1 16 16 THR HA H 1 4.473 0.038 . 1 . . . . . 338 THR HA . 52075 1 192 . 1 . 1 16 16 THR HB H 1 4.702 0.006 . 1 . . . . . 338 THR HB . 52075 1 193 . 1 . 1 16 16 THR HG21 H 1 1.377 0.010 . 1 . . . . . 338 THR HG21 . 52075 1 194 . 1 . 1 16 16 THR HG22 H 1 1.377 0.010 . 1 . . . . . 338 THR HG22 . 52075 1 195 . 1 . 1 16 16 THR HG23 H 1 1.377 0.010 . 1 . . . . . 338 THR HG23 . 52075 1 196 . 1 . 1 16 16 THR C C 13 175.257 0.000 . 1 . . . . . 338 THR C . 52075 1 197 . 1 . 1 16 16 THR CA C 13 61.139 0.497 . 1 . . . . . 338 THR CA . 52075 1 198 . 1 . 1 16 16 THR CB C 13 70.939 0.039 . 1 . . . . . 338 THR CB . 52075 1 199 . 1 . 1 16 16 THR CG2 C 13 21.697 0.118 . 1 . . . . . 338 THR CG2 . 52075 1 200 . 1 . 1 16 16 THR N N 15 112.002 0.099 . 1 . . . . . 338 THR N . 52075 1 201 . 1 . 1 17 17 ALA H H 1 9.016 0.005 . 1 . . . . . 339 ALA H . 52075 1 202 . 1 . 1 17 17 ALA HA H 1 4.270 0.000 . 1 . . . . . 339 ALA HA . 52075 1 203 . 1 . 1 17 17 ALA HB1 H 1 1.724 0.013 . 1 . . . . . 339 ALA HB1 . 52075 1 204 . 1 . 1 17 17 ALA HB2 H 1 1.724 0.013 . 1 . . . . . 339 ALA HB2 . 52075 1 205 . 1 . 1 17 17 ALA HB3 H 1 1.724 0.013 . 1 . . . . . 339 ALA HB3 . 52075 1 206 . 1 . 1 17 17 ALA C C 13 175.959 0.000 . 1 . . . . . 339 ALA C . 52075 1 207 . 1 . 1 17 17 ALA CA C 13 56.271 0.187 . 1 . . . . . 339 ALA CA . 52075 1 208 . 1 . 1 17 17 ALA CB C 13 18.285 0.000 . 1 . . . . . 339 ALA CB . 52075 1 209 . 1 . 1 17 17 ALA N N 15 123.448 0.149 . 1 . . . . . 339 ALA N . 52075 1 210 . 1 . 1 18 18 GLU H H 1 8.366 0.028 . 1 . . . . . 340 GLU H . 52075 1 211 . 1 . 1 18 18 GLU HA H 1 3.783 0.021 . 1 . . . . . 340 GLU HA . 52075 1 212 . 1 . 1 18 18 GLU HB2 H 1 1.728 0.010 . 2 . . . . . 340 GLU HB2 . 52075 1 213 . 1 . 1 18 18 GLU HB3 H 1 1.353 0.011 . 2 . . . . . 340 GLU HB3 . 52075 1 214 . 1 . 1 18 18 GLU HG2 H 1 2.310 0.000 . 2 . . . . . 340 GLU HG2 . 52075 1 215 . 1 . 1 18 18 GLU HG3 H 1 2.241 0.000 . 2 . . . . . 340 GLU HG3 . 52075 1 216 . 1 . 1 18 18 GLU C C 13 178.040 0.000 . 1 . . . . . 340 GLU C . 52075 1 217 . 1 . 1 18 18 GLU CA C 13 58.827 0.261 . 1 . . . . . 340 GLU CA . 52075 1 218 . 1 . 1 18 18 GLU CB C 13 29.626 0.017 . 1 . . . . . 340 GLU CB . 52075 1 219 . 1 . 1 18 18 GLU CG C 13 36.195 0.000 . 1 . . . . . 340 GLU CG . 52075 1 220 . 1 . 1 18 18 GLU N N 15 115.391 0.101 . 1 . . . . . 340 GLU N . 52075 1 221 . 1 . 1 19 19 GLU H H 1 7.592 0.033 . 1 . . . . . 341 GLU H . 52075 1 222 . 1 . 1 19 19 GLU HA H 1 3.901 0.020 . 1 . . . . . 341 GLU HA . 52075 1 223 . 1 . 1 19 19 GLU HB2 H 1 1.743 0.000 . 1 . . . . . 341 GLU HB2 . 52075 1 224 . 1 . 1 19 19 GLU HB3 H 1 1.743 0.000 . 1 . . . . . 341 GLU HB3 . 52075 1 225 . 1 . 1 19 19 GLU HG2 H 1 2.154 0.000 . 2 . . . . . 341 GLU HG2 . 52075 1 226 . 1 . 1 19 19 GLU HG3 H 1 1.975 0.000 . 2 . . . . . 341 GLU HG3 . 52075 1 227 . 1 . 1 19 19 GLU C C 13 179.404 0.000 . 1 . . . . . 341 GLU C . 52075 1 228 . 1 . 1 19 19 GLU CA C 13 58.735 0.151 . 1 . . . . . 341 GLU CA . 52075 1 229 . 1 . 1 19 19 GLU CB C 13 29.427 0.000 . 1 . . . . . 341 GLU CB . 52075 1 230 . 1 . 1 19 19 GLU CG C 13 37.166 0.000 . 1 . . . . . 341 GLU CG . 52075 1 231 . 1 . 1 19 19 GLU N N 15 119.682 0.158 . 1 . . . . . 341 GLU N . 52075 1 232 . 1 . 1 20 20 TRP H H 1 8.119 0.034 . 1 . . . . . 342 TRP H . 52075 1 233 . 1 . 1 20 20 TRP HA H 1 4.467 0.020 . 1 . . . . . 342 TRP HA . 52075 1 234 . 1 . 1 20 20 TRP HB2 H 1 3.323 0.000 . 2 . . . . . 342 TRP HB2 . 52075 1 235 . 1 . 1 20 20 TRP HB3 H 1 3.216 0.000 . 2 . . . . . 342 TRP HB3 . 52075 1 236 . 1 . 1 20 20 TRP HD1 H 1 6.978 0.000 . 1 . . . . . 342 TRP HD1 . 52075 1 237 . 1 . 1 20 20 TRP HE1 H 1 10.326 0.003 . 1 . . . . . 342 TRP HE1 . 52075 1 238 . 1 . 1 20 20 TRP HE3 H 1 7.096 0.000 . 1 . . . . . 342 TRP HE3 . 52075 1 239 . 1 . 1 20 20 TRP HZ2 H 1 7.596 0.000 . 1 . . . . . 342 TRP HZ2 . 52075 1 240 . 1 . 1 20 20 TRP HZ3 H 1 7.721 0.000 . 1 . . . . . 342 TRP HZ3 . 52075 1 241 . 1 . 1 20 20 TRP HH2 H 1 7.248 0.000 . 1 . . . . . 342 TRP HH2 . 52075 1 242 . 1 . 1 20 20 TRP C C 13 176.372 0.000 . 1 . . . . . 342 TRP C . 52075 1 243 . 1 . 1 20 20 TRP CA C 13 59.932 0.255 . 1 . . . . . 342 TRP CA . 52075 1 244 . 1 . 1 20 20 TRP CB C 13 31.114 0.020 . 1 . . . . . 342 TRP CB . 52075 1 245 . 1 . 1 20 20 TRP CD1 C 13 128.264 0.000 . 1 . . . . . 342 TRP CD1 . 52075 1 246 . 1 . 1 20 20 TRP CE3 C 13 123.837 0.000 . 1 . . . . . 342 TRP CE3 . 52075 1 247 . 1 . 1 20 20 TRP CZ2 C 13 115.349 0.000 . 1 . . . . . 342 TRP CZ2 . 52075 1 248 . 1 . 1 20 20 TRP CZ3 C 13 121.100 0.000 . 1 . . . . . 342 TRP CZ3 . 52075 1 249 . 1 . 1 20 20 TRP CH2 C 13 121.967 0.000 . 1 . . . . . 342 TRP CH2 . 52075 1 250 . 1 . 1 20 20 TRP N N 15 120.676 0.211 . 1 . . . . . 342 TRP N . 52075 1 251 . 1 . 1 20 20 TRP NE1 N 15 129.325 0.000 . 1 . . . . . 342 TRP NE1 . 52075 1 252 . 1 . 1 21 21 LYS H H 1 8.893 0.029 . 1 . . . . . 343 LYS H . 52075 1 253 . 1 . 1 21 21 LYS HA H 1 4.569 0.016 . 1 . . . . . 343 LYS HA . 52075 1 254 . 1 . 1 21 21 LYS HB2 H 1 2.101 0.000 . 1 . . . . . 343 LYS HB2 . 52075 1 255 . 1 . 1 21 21 LYS HB3 H 1 2.101 0.000 . 1 . . . . . 343 LYS HB3 . 52075 1 256 . 1 . 1 21 21 LYS C C 13 175.336 0.000 . 1 . . . . . 343 LYS C . 52075 1 257 . 1 . 1 21 21 LYS CA C 13 61.497 0.145 . 1 . . . . . 343 LYS CA . 52075 1 258 . 1 . 1 21 21 LYS CB C 13 32.573 0.000 . 1 . . . . . 343 LYS CB . 52075 1 259 . 1 . 1 21 21 LYS N N 15 122.051 0.271 . 1 . . . . . 343 LYS N . 52075 1 260 . 1 . 1 22 22 LYS H H 1 8.889 0.003 . 1 . . . . . 344 LYS H . 52075 1 261 . 1 . 1 22 22 LYS HA H 1 4.094 0.020 . 1 . . . . . 344 LYS HA . 52075 1 262 . 1 . 1 22 22 LYS HB2 H 1 1.813 0.000 . 2 . . . . . 344 LYS HB2 . 52075 1 263 . 1 . 1 22 22 LYS HB3 H 1 1.738 0.000 . 2 . . . . . 344 LYS HB3 . 52075 1 264 . 1 . 1 22 22 LYS HG2 H 1 1.426 0.000 . 1 . . . . . 344 LYS HG2 . 52075 1 265 . 1 . 1 22 22 LYS HG3 H 1 1.426 0.000 . 1 . . . . . 344 LYS HG3 . 52075 1 266 . 1 . 1 22 22 LYS HD2 H 1 1.686 0.000 . 1 . . . . . 344 LYS HD2 . 52075 1 267 . 1 . 1 22 22 LYS HD3 H 1 1.686 0.000 . 1 . . . . . 344 LYS HD3 . 52075 1 268 . 1 . 1 22 22 LYS HE2 H 1 2.994 0.000 . 1 . . . . . 344 LYS HE2 . 52075 1 269 . 1 . 1 22 22 LYS HE3 H 1 2.994 0.000 . 1 . . . . . 344 LYS HE3 . 52075 1 270 . 1 . 1 22 22 LYS C C 13 178.664 0.000 . 1 . . . . . 344 LYS C . 52075 1 271 . 1 . 1 22 22 LYS CA C 13 57.375 0.235 . 1 . . . . . 344 LYS CA . 52075 1 272 . 1 . 1 22 22 LYS CB C 13 33.352 0.000 . 1 . . . . . 344 LYS CB . 52075 1 273 . 1 . 1 22 22 LYS CG C 13 24.716 0.000 . 1 . . . . . 344 LYS CG . 52075 1 274 . 1 . 1 22 22 LYS CD C 13 28.763 0.000 . 1 . . . . . 344 LYS CD . 52075 1 275 . 1 . 1 22 22 LYS CE C 13 41.827 0.000 . 1 . . . . . 344 LYS CE . 52075 1 276 . 1 . 1 22 22 LYS N N 15 120.374 0.181 . 1 . . . . . 344 LYS N . 52075 1 277 . 1 . 1 23 23 LYS H H 1 8.856 0.008 . 1 . . . . . 345 LYS H . 52075 1 278 . 1 . 1 23 23 LYS HA H 1 3.463 0.018 . 1 . . . . . 345 LYS HA . 52075 1 279 . 1 . 1 23 23 LYS HB2 H 1 1.682 0.000 . 2 . . . . . 345 LYS HB2 . 52075 1 280 . 1 . 1 23 23 LYS HB3 H 1 1.407 0.000 . 2 . . . . . 345 LYS HB3 . 52075 1 281 . 1 . 1 23 23 LYS HG2 H 1 1.351 0.000 . 2 . . . . . 345 LYS HG2 . 52075 1 282 . 1 . 1 23 23 LYS HG3 H 1 1.261 0.000 . 2 . . . . . 345 LYS HG3 . 52075 1 283 . 1 . 1 23 23 LYS HD2 H 1 1.671 0.000 . 1 . . . . . 345 LYS HD2 . 52075 1 284 . 1 . 1 23 23 LYS HD3 H 1 1.671 0.000 . 1 . . . . . 345 LYS HD3 . 52075 1 285 . 1 . 1 23 23 LYS HE2 H 1 2.966 0.000 . 1 . . . . . 345 LYS HE2 . 52075 1 286 . 1 . 1 23 23 LYS HE3 H 1 2.966 0.000 . 1 . . . . . 345 LYS HE3 . 52075 1 287 . 1 . 1 23 23 LYS C C 13 177.518 0.000 . 1 . . . . . 345 LYS C . 52075 1 288 . 1 . 1 23 23 LYS CA C 13 58.655 0.000 . 1 . . . . . 345 LYS CA . 52075 1 289 . 1 . 1 23 23 LYS CB C 13 31.659 0.028 . 1 . . . . . 345 LYS CB . 52075 1 290 . 1 . 1 23 23 LYS CG C 13 24.159 0.000 . 1 . . . . . 345 LYS CG . 52075 1 291 . 1 . 1 23 23 LYS CD C 13 28.837 0.000 . 1 . . . . . 345 LYS CD . 52075 1 292 . 1 . 1 23 23 LYS CE C 13 41.817 0.000 . 1 . . . . . 345 LYS CE . 52075 1 293 . 1 . 1 23 23 LYS N N 15 120.394 0.178 . 1 . . . . . 345 LYS N . 52075 1 294 . 1 . 1 24 24 TYR H H 1 8.151 0.005 . 1 . . . . . 346 TYR H . 52075 1 295 . 1 . 1 24 24 TYR HA H 1 4.380 0.007 . 1 . . . . . 346 TYR HA . 52075 1 296 . 1 . 1 24 24 TYR HB2 H 1 2.961 0.000 . 2 . . . . . 346 TYR HB2 . 52075 1 297 . 1 . 1 24 24 TYR HB3 H 1 2.971 0.000 . 2 . . . . . 346 TYR HB3 . 52075 1 298 . 1 . 1 24 24 TYR HD1 H 1 7.225 0.000 . 1 . . . . . 346 TYR HD1 . 52075 1 299 . 1 . 1 24 24 TYR HD2 H 1 7.225 0.000 . 1 . . . . . 346 TYR HD2 . 52075 1 300 . 1 . 1 24 24 TYR HE1 H 1 7.146 0.000 . 1 . . . . . 346 TYR HE1 . 52075 1 301 . 1 . 1 24 24 TYR HE2 H 1 7.146 0.000 . 1 . . . . . 346 TYR HE2 . 52075 1 302 . 1 . 1 24 24 TYR C C 13 178.003 0.000 . 1 . . . . . 346 TYR C . 52075 1 303 . 1 . 1 24 24 TYR CA C 13 57.647 0.000 . 1 . . . . . 346 TYR CA . 52075 1 304 . 1 . 1 24 24 TYR CB C 13 38.866 0.000 . 1 . . . . . 346 TYR CB . 52075 1 305 . 1 . 1 24 24 TYR CD1 C 13 134.325 0.000 . 1 . . . . . 346 TYR CD1 . 52075 1 306 . 1 . 1 24 24 TYR CD2 C 13 134.325 0.000 . 1 . . . . . 346 TYR CD2 . 52075 1 307 . 1 . 1 24 24 TYR CE1 C 13 118.140 0.000 . 1 . . . . . 346 TYR CE1 . 52075 1 308 . 1 . 1 24 24 TYR CE2 C 13 118.140 0.000 . 1 . . . . . 346 TYR CE2 . 52075 1 309 . 1 . 1 24 24 TYR N N 15 119.521 0.163 . 1 . . . . . 346 TYR N . 52075 1 310 . 1 . 1 25 25 GLU H H 1 8.656 0.009 . 1 . . . . . 347 GLU H . 52075 1 311 . 1 . 1 25 25 GLU HA H 1 4.038 0.008 . 1 . . . . . 347 GLU HA . 52075 1 312 . 1 . 1 25 25 GLU HB2 H 1 1.992 0.000 . 1 . . . . . 347 GLU HB2 . 52075 1 313 . 1 . 1 25 25 GLU HB3 H 1 1.992 0.000 . 1 . . . . . 347 GLU HB3 . 52075 1 314 . 1 . 1 25 25 GLU HG2 H 1 2.362 0.000 . 2 . . . . . 347 GLU HG2 . 52075 1 315 . 1 . 1 25 25 GLU HG3 H 1 2.251 0.000 . 2 . . . . . 347 GLU HG3 . 52075 1 316 . 1 . 1 25 25 GLU C C 13 178.997 0.000 . 1 . . . . . 347 GLU C . 52075 1 317 . 1 . 1 25 25 GLU CA C 13 57.841 0.000 . 1 . . . . . 347 GLU CA . 52075 1 318 . 1 . 1 25 25 GLU CB C 13 29.270 0.000 . 1 . . . . . 347 GLU CB . 52075 1 319 . 1 . 1 25 25 GLU CG C 13 36.108 0.000 . 1 . . . . . 347 GLU CG . 52075 1 320 . 1 . 1 25 25 GLU N N 15 122.154 0.138 . 1 . . . . . 347 GLU N . 52075 1 321 . 1 . 1 26 26 LYS H H 1 7.859 0.008 . 1 . . . . . 348 LYS H . 52075 1 322 . 1 . 1 26 26 LYS HA H 1 4.101 0.014 . 1 . . . . . 348 LYS HA . 52075 1 323 . 1 . 1 26 26 LYS HB2 H 1 1.697 0.026 . 2 . . . . . 348 LYS HB2 . 52075 1 324 . 1 . 1 26 26 LYS HB3 H 1 1.883 0.000 . 2 . . . . . 348 LYS HB3 . 52075 1 325 . 1 . 1 26 26 LYS HG2 H 1 1.441 0.000 . 1 . . . . . 348 LYS HG2 . 52075 1 326 . 1 . 1 26 26 LYS HG3 H 1 1.441 0.000 . 1 . . . . . 348 LYS HG3 . 52075 1 327 . 1 . 1 26 26 LYS HD2 H 1 2.206 0.000 . 1 . . . . . 348 LYS HD2 . 52075 1 328 . 1 . 1 26 26 LYS HE2 H 1 2.969 0.000 . 1 . . . . . 348 LYS HE2 . 52075 1 329 . 1 . 1 26 26 LYS C C 13 178.221 0.000 . 1 . . . . . 348 LYS C . 52075 1 330 . 1 . 1 26 26 LYS CA C 13 58.779 0.386 . 1 . . . . . 348 LYS CA . 52075 1 331 . 1 . 1 26 26 LYS CB C 13 33.461 0.268 . 1 . . . . . 348 LYS CB . 52075 1 332 . 1 . 1 26 26 LYS CG C 13 24.827 0.000 . 1 . . . . . 348 LYS CG . 52075 1 333 . 1 . 1 26 26 LYS CD C 13 28.115 0.000 . 1 . . . . . 348 LYS CD . 52075 1 334 . 1 . 1 26 26 LYS CE C 13 41.972 0.000 . 1 . . . . . 348 LYS CE . 52075 1 335 . 1 . 1 26 26 LYS N N 15 120.712 0.129 . 1 . . . . . 348 LYS N . 52075 1 336 . 1 . 1 27 27 GLU H H 1 8.169 0.003 . 1 . . . . . 349 GLU H . 52075 1 337 . 1 . 1 27 27 GLU HA H 1 4.067 0.028 . 1 . . . . . 349 GLU HA . 52075 1 338 . 1 . 1 27 27 GLU HB2 H 1 2.399 0.009 . 2 . . . . . 349 GLU HB2 . 52075 1 339 . 1 . 1 27 27 GLU HB3 H 1 2.147 0.005 . 2 . . . . . 349 GLU HB3 . 52075 1 340 . 1 . 1 27 27 GLU HG2 H 1 2.395 0.000 . 2 . . . . . 349 GLU HG2 . 52075 1 341 . 1 . 1 27 27 GLU HG3 H 1 2.251 0.000 . 2 . . . . . 349 GLU HG3 . 52075 1 342 . 1 . 1 27 27 GLU C C 13 178.382 0.000 . 1 . . . . . 349 GLU C . 52075 1 343 . 1 . 1 27 27 GLU CA C 13 58.476 0.092 . 1 . . . . . 349 GLU CA . 52075 1 344 . 1 . 1 27 27 GLU CB C 13 29.426 0.079 . 1 . . . . . 349 GLU CB . 52075 1 345 . 1 . 1 27 27 GLU CG C 13 36.115 0.000 . 1 . . . . . 349 GLU CG . 52075 1 346 . 1 . 1 27 27 GLU N N 15 122.792 0.117 . 1 . . . . . 349 GLU N . 52075 1 347 . 1 . 1 28 28 LYS H H 1 8.185 0.004 . 1 . . . . . 350 LYS H . 52075 1 348 . 1 . 1 28 28 LYS HA H 1 4.359 0.014 . 1 . . . . . 350 LYS HA . 52075 1 349 . 1 . 1 28 28 LYS HB2 H 1 1.167 0.021 . 1 . . . . . 350 LYS HB2 . 52075 1 350 . 1 . 1 28 28 LYS HG2 H 1 0.974 0.000 . 1 . . . . . 350 LYS HG2 . 52075 1 351 . 1 . 1 28 28 LYS HG3 H 1 0.974 0.000 . 1 . . . . . 350 LYS HG3 . 52075 1 352 . 1 . 1 28 28 LYS HD2 H 1 1.534 0.000 . 1 . . . . . 350 LYS HD2 . 52075 1 353 . 1 . 1 28 28 LYS HE2 H 1 3.092 0.000 . 2 . . . . . 350 LYS HE2 . 52075 1 354 . 1 . 1 28 28 LYS C C 13 173.530 0.000 . 1 . . . . . 350 LYS C . 52075 1 355 . 1 . 1 28 28 LYS CA C 13 58.050 0.388 . 1 . . . . . 350 LYS CA . 52075 1 356 . 1 . 1 28 28 LYS CB C 13 33.047 0.000 . 1 . . . . . 350 LYS CB . 52075 1 357 . 1 . 1 28 28 LYS CG C 13 27.086 0.000 . 1 . . . . . 350 LYS CG . 52075 1 358 . 1 . 1 28 28 LYS CD C 13 27.170 0.000 . 1 . . . . . 350 LYS CD . 52075 1 359 . 1 . 1 28 28 LYS CE C 13 42.595 0.000 . 1 . . . . . 350 LYS CE . 52075 1 360 . 1 . 1 28 28 LYS N N 15 116.338 0.057 . 1 . . . . . 350 LYS N . 52075 1 361 . 1 . 1 29 29 GLU H H 1 7.945 0.007 . 1 . . . . . 351 GLU H . 52075 1 362 . 1 . 1 29 29 GLU HA H 1 4.140 0.018 . 1 . . . . . 351 GLU HA . 52075 1 363 . 1 . 1 29 29 GLU HB2 H 1 2.170 0.000 . 2 . . . . . 351 GLU HB2 . 52075 1 364 . 1 . 1 29 29 GLU HB3 H 1 2.044 0.000 . 2 . . . . . 351 GLU HB3 . 52075 1 365 . 1 . 1 29 29 GLU HG2 H 1 2.408 0.000 . 2 . . . . . 351 GLU HG2 . 52075 1 366 . 1 . 1 29 29 GLU HG3 H 1 2.233 0.000 . 2 . . . . . 351 GLU HG3 . 52075 1 367 . 1 . 1 29 29 GLU C C 13 179.099 0.000 . 1 . . . . . 351 GLU C . 52075 1 368 . 1 . 1 29 29 GLU CA C 13 59.078 0.295 . 1 . . . . . 351 GLU CA . 52075 1 369 . 1 . 1 29 29 GLU CB C 13 29.316 0.000 . 1 . . . . . 351 GLU CB . 52075 1 370 . 1 . 1 29 29 GLU CG C 13 36.165 0.000 . 1 . . . . . 351 GLU CG . 52075 1 371 . 1 . 1 29 29 GLU N N 15 116.535 0.152 . 1 . . . . . 351 GLU N . 52075 1 372 . 1 . 1 30 30 LYS H H 1 7.998 0.037 . 1 . . . . . 352 LYS H . 52075 1 373 . 1 . 1 30 30 LYS HA H 1 4.144 0.000 . 1 . . . . . 352 LYS HA . 52075 1 374 . 1 . 1 30 30 LYS HB2 H 1 2.013 0.000 . 2 . . . . . 352 LYS HB2 . 52075 1 375 . 1 . 1 30 30 LYS HB3 H 1 1.403 0.000 . 2 . . . . . 352 LYS HB3 . 52075 1 376 . 1 . 1 30 30 LYS HG2 H 1 1.557 0.000 . 2 . . . . . 352 LYS HG2 . 52075 1 377 . 1 . 1 30 30 LYS HG3 H 1 1.424 0.000 . 2 . . . . . 352 LYS HG3 . 52075 1 378 . 1 . 1 30 30 LYS HD2 H 1 1.677 0.000 . 1 . . . . . 352 LYS HD2 . 52075 1 379 . 1 . 1 30 30 LYS HD3 H 1 1.677 0.000 . 1 . . . . . 352 LYS HD3 . 52075 1 380 . 1 . 1 30 30 LYS HE2 H 1 2.976 0.000 . 1 . . . . . 352 LYS HE2 . 52075 1 381 . 1 . 1 30 30 LYS HE3 H 1 2.976 0.000 . 1 . . . . . 352 LYS HE3 . 52075 1 382 . 1 . 1 30 30 LYS C C 13 178.284 0.000 . 1 . . . . . 352 LYS C . 52075 1 383 . 1 . 1 30 30 LYS CA C 13 58.792 0.000 . 1 . . . . . 352 LYS CA . 52075 1 384 . 1 . 1 30 30 LYS CB C 13 31.944 0.000 . 1 . . . . . 352 LYS CB . 52075 1 385 . 1 . 1 30 30 LYS CG C 13 24.852 0.000 . 1 . . . . . 352 LYS CG . 52075 1 386 . 1 . 1 30 30 LYS CD C 13 29.055 0.000 . 1 . . . . . 352 LYS CD . 52075 1 387 . 1 . 1 30 30 LYS CE C 13 41.760 0.000 . 1 . . . . . 352 LYS CE . 52075 1 388 . 1 . 1 30 30 LYS N N 15 122.067 0.232 . 1 . . . . . 352 LYS N . 52075 1 389 . 1 . 1 31 31 ASN H H 1 8.248 0.035 . 1 . . . . . 353 ASN H . 52075 1 390 . 1 . 1 31 31 ASN HA H 1 4.425 0.000 . 1 . . . . . 353 ASN HA . 52075 1 391 . 1 . 1 31 31 ASN HB2 H 1 2.850 0.000 . 2 . . . . . 353 ASN HB2 . 52075 1 392 . 1 . 1 31 31 ASN HB3 H 1 2.746 0.000 . 2 . . . . . 353 ASN HB3 . 52075 1 393 . 1 . 1 31 31 ASN HD21 H 1 7.387 0.000 . 1 . . . . . 353 ASN HD21 . 52075 1 394 . 1 . 1 31 31 ASN HD22 H 1 6.797 0.000 . 1 . . . . . 353 ASN HD22 . 52075 1 395 . 1 . 1 31 31 ASN C C 13 176.912 0.000 . 1 . . . . . 353 ASN C . 52075 1 396 . 1 . 1 31 31 ASN CA C 13 56.755 0.112 . 1 . . . . . 353 ASN CA . 52075 1 397 . 1 . 1 31 31 ASN CB C 13 38.070 0.021 . 1 . . . . . 353 ASN CB . 52075 1 398 . 1 . 1 31 31 ASN N N 15 120.284 0.185 . 1 . . . . . 353 ASN N . 52075 1 399 . 1 . 1 31 31 ASN ND2 N 15 111.264 0.000 . 1 . . . . . 353 ASN ND2 . 52075 1 400 . 1 . 1 32 32 LYS H H 1 7.925 0.006 . 1 . . . . . 354 LYS H . 52075 1 401 . 1 . 1 32 32 LYS HA H 1 3.946 0.000 . 1 . . . . . 354 LYS HA . 52075 1 402 . 1 . 1 32 32 LYS HB2 H 1 1.860 0.000 . 2 . . . . . 354 LYS HB2 . 52075 1 403 . 1 . 1 32 32 LYS HB3 H 1 1.827 0.000 . 2 . . . . . 354 LYS HB3 . 52075 1 404 . 1 . 1 32 32 LYS HG2 H 1 1.438 0.000 . 1 . . . . . 354 LYS HG2 . 52075 1 405 . 1 . 1 32 32 LYS HG3 H 1 1.438 0.000 . 1 . . . . . 354 LYS HG3 . 52075 1 406 . 1 . 1 32 32 LYS HD2 H 1 1.700 0.000 . 2 . . . . . 354 LYS HD2 . 52075 1 407 . 1 . 1 32 32 LYS HD3 H 1 1.619 0.000 . 2 . . . . . 354 LYS HD3 . 52075 1 408 . 1 . 1 32 32 LYS HE2 H 1 2.972 0.000 . 1 . . . . . 354 LYS HE2 . 52075 1 409 . 1 . 1 32 32 LYS HE3 H 1 2.972 0.000 . 1 . . . . . 354 LYS HE3 . 52075 1 410 . 1 . 1 32 32 LYS C C 13 178.404 0.000 . 1 . . . . . 354 LYS C . 52075 1 411 . 1 . 1 32 32 LYS CA C 13 59.379 0.000 . 1 . . . . . 354 LYS CA . 52075 1 412 . 1 . 1 32 32 LYS CB C 13 32.138 0.000 . 1 . . . . . 354 LYS CB . 52075 1 413 . 1 . 1 32 32 LYS CG C 13 24.629 0.000 . 1 . . . . . 354 LYS CG . 52075 1 414 . 1 . 1 32 32 LYS CD C 13 28.826 0.017 . 1 . . . . . 354 LYS CD . 52075 1 415 . 1 . 1 32 32 LYS CE C 13 43.318 0.000 . 1 . . . . . 354 LYS CE . 52075 1 416 . 1 . 1 32 32 LYS N N 15 120.709 0.165 . 1 . . . . . 354 LYS N . 52075 1 417 . 1 . 1 33 33 ALA H H 1 7.709 0.007 . 1 . . . . . 355 ALA H . 52075 1 418 . 1 . 1 33 33 ALA HA H 1 4.259 0.025 . 1 . . . . . 355 ALA HA . 52075 1 419 . 1 . 1 33 33 ALA HB1 H 1 1.579 0.003 . 1 . . . . . 355 ALA HB1 . 52075 1 420 . 1 . 1 33 33 ALA HB2 H 1 1.579 0.003 . 1 . . . . . 355 ALA HB2 . 52075 1 421 . 1 . 1 33 33 ALA HB3 H 1 1.579 0.003 . 1 . . . . . 355 ALA HB3 . 52075 1 422 . 1 . 1 33 33 ALA C C 13 180.701 0.000 . 1 . . . . . 355 ALA C . 52075 1 423 . 1 . 1 33 33 ALA CA C 13 54.736 0.426 . 1 . . . . . 355 ALA CA . 52075 1 424 . 1 . 1 33 33 ALA CB C 13 17.688 0.174 . 1 . . . . . 355 ALA CB . 52075 1 425 . 1 . 1 33 33 ALA N N 15 122.856 0.229 . 1 . . . . . 355 ALA N . 52075 1 426 . 1 . 1 34 34 LEU H H 1 8.518 0.004 . 1 . . . . . 356 LEU H . 52075 1 427 . 1 . 1 34 34 LEU HA H 1 4.121 0.000 . 1 . . . . . 356 LEU HA . 52075 1 428 . 1 . 1 34 34 LEU HB2 H 1 1.735 0.000 . 1 . . . . . 356 LEU HB2 . 52075 1 429 . 1 . 1 34 34 LEU HB3 H 1 1.735 0.000 . 1 . . . . . 356 LEU HB3 . 52075 1 430 . 1 . 1 34 34 LEU HG H 1 1.716 0.000 . 1 . . . . . 356 LEU HG . 52075 1 431 . 1 . 1 34 34 LEU HD11 H 1 0.962 0.000 . 1 . . . . . 356 LEU HD11 . 52075 1 432 . 1 . 1 34 34 LEU HD12 H 1 0.962 0.000 . 1 . . . . . 356 LEU HD12 . 52075 1 433 . 1 . 1 34 34 LEU HD13 H 1 0.962 0.000 . 1 . . . . . 356 LEU HD13 . 52075 1 434 . 1 . 1 34 34 LEU HD21 H 1 0.962 0.000 . 1 . . . . . 356 LEU HD21 . 52075 1 435 . 1 . 1 34 34 LEU HD22 H 1 0.962 0.000 . 1 . . . . . 356 LEU HD22 . 52075 1 436 . 1 . 1 34 34 LEU HD23 H 1 0.962 0.000 . 1 . . . . . 356 LEU HD23 . 52075 1 437 . 1 . 1 34 34 LEU C C 13 180.600 0.000 . 1 . . . . . 356 LEU C . 52075 1 438 . 1 . 1 34 34 LEU CA C 13 58.074 0.000 . 1 . . . . . 356 LEU CA . 52075 1 439 . 1 . 1 34 34 LEU CB C 13 41.747 0.000 . 1 . . . . . 356 LEU CB . 52075 1 440 . 1 . 1 34 34 LEU CG C 13 28.418 0.000 . 1 . . . . . 356 LEU CG . 52075 1 441 . 1 . 1 34 34 LEU CD1 C 13 24.983 0.000 . 1 . . . . . 356 LEU CD1 . 52075 1 442 . 1 . 1 34 34 LEU CD2 C 13 24.983 0.000 . 1 . . . . . 356 LEU CD2 . 52075 1 443 . 1 . 1 34 34 LEU N N 15 119.648 0.097 . 1 . . . . . 356 LEU N . 52075 1 444 . 1 . 1 35 35 LYS H H 1 8.345 0.006 . 1 . . . . . 357 LYS H . 52075 1 445 . 1 . 1 35 35 LYS HA H 1 3.966 0.000 . 1 . . . . . 357 LYS HA . 52075 1 446 . 1 . 1 35 35 LYS HB2 H 1 2.010 0.000 . 2 . . . . . 357 LYS HB2 . 52075 1 447 . 1 . 1 35 35 LYS HB3 H 1 1.817 0.000 . 2 . . . . . 357 LYS HB3 . 52075 1 448 . 1 . 1 35 35 LYS HG2 H 1 1.076 0.000 . 2 . . . . . 357 LYS HG2 . 52075 1 449 . 1 . 1 35 35 LYS HG3 H 1 0.979 0.000 . 2 . . . . . 357 LYS HG3 . 52075 1 450 . 1 . 1 35 35 LYS HD2 H 1 1.556 0.000 . 2 . . . . . 357 LYS HD2 . 52075 1 451 . 1 . 1 35 35 LYS HD3 H 1 1.439 0.000 . 2 . . . . . 357 LYS HD3 . 52075 1 452 . 1 . 1 35 35 LYS HE2 H 1 2.971 0.000 . 2 . . . . . 357 LYS HE2 . 52075 1 453 . 1 . 1 35 35 LYS HE3 H 1 2.910 0.000 . 2 . . . . . 357 LYS HE3 . 52075 1 454 . 1 . 1 35 35 LYS C C 13 178.219 0.000 . 1 . . . . . 357 LYS C . 52075 1 455 . 1 . 1 35 35 LYS CA C 13 59.943 0.000 . 1 . . . . . 357 LYS CA . 52075 1 456 . 1 . 1 35 35 LYS CB C 13 31.820 0.000 . 1 . . . . . 357 LYS CB . 52075 1 457 . 1 . 1 35 35 LYS CG C 13 24.880 0.000 . 1 . . . . . 357 LYS CG . 52075 1 458 . 1 . 1 35 35 LYS CD C 13 28.940 0.018 . 1 . . . . . 357 LYS CD . 52075 1 459 . 1 . 1 35 35 LYS CE C 13 41.709 0.018 . 1 . . . . . 357 LYS CE . 52075 1 460 . 1 . 1 35 35 LYS N N 15 118.983 0.149 . 1 . . . . . 357 LYS N . 52075 1 461 . 1 . 1 36 36 SER H H 1 7.722 0.005 . 1 . . . . . 358 SER H . 52075 1 462 . 1 . 1 36 36 SER HA H 1 4.401 0.014 . 1 . . . . . 358 SER HA . 52075 1 463 . 1 . 1 36 36 SER HB2 H 1 4.092 0.043 . 2 . . . . . 358 SER HB2 . 52075 1 464 . 1 . 1 36 36 SER HB3 H 1 4.000 0.000 . 2 . . . . . 358 SER HB3 . 52075 1 465 . 1 . 1 36 36 SER C C 13 175.604 0.000 . 1 . . . . . 358 SER C . 52075 1 466 . 1 . 1 36 36 SER CA C 13 61.161 0.301 . 1 . . . . . 358 SER CA . 52075 1 467 . 1 . 1 36 36 SER CB C 13 63.621 0.015 . 1 . . . . . 358 SER CB . 52075 1 468 . 1 . 1 36 36 SER N N 15 115.354 0.025 . 1 . . . . . 358 SER N . 52075 1 469 . 1 . 1 37 37 VAL H H 1 8.189 0.010 . 1 . . . . . 359 VAL H . 52075 1 470 . 1 . 1 37 37 VAL HA H 1 3.686 0.000 . 1 . . . . . 359 VAL HA . 52075 1 471 . 1 . 1 37 37 VAL HB H 1 2.223 0.000 . 1 . . . . . 359 VAL HB . 52075 1 472 . 1 . 1 37 37 VAL HG11 H 1 1.131 0.000 . 2 . . . . . 359 VAL HG11 . 52075 1 473 . 1 . 1 37 37 VAL HG12 H 1 1.131 0.000 . 2 . . . . . 359 VAL HG12 . 52075 1 474 . 1 . 1 37 37 VAL HG13 H 1 1.131 0.000 . 2 . . . . . 359 VAL HG13 . 52075 1 475 . 1 . 1 37 37 VAL HG21 H 1 1.098 0.000 . 2 . . . . . 359 VAL HG21 . 52075 1 476 . 1 . 1 37 37 VAL HG22 H 1 1.098 0.000 . 2 . . . . . 359 VAL HG22 . 52075 1 477 . 1 . 1 37 37 VAL HG23 H 1 1.098 0.000 . 2 . . . . . 359 VAL HG23 . 52075 1 478 . 1 . 1 37 37 VAL C C 13 176.729 0.000 . 1 . . . . . 359 VAL C . 52075 1 479 . 1 . 1 37 37 VAL CA C 13 66.394 0.165 . 1 . . . . . 359 VAL CA . 52075 1 480 . 1 . 1 37 37 VAL CB C 13 31.549 0.000 . 1 . . . . . 359 VAL CB . 52075 1 481 . 1 . 1 37 37 VAL CG1 C 13 22.901 0.000 . 2 . . . . . 359 VAL CG1 . 52075 1 482 . 1 . 1 37 37 VAL CG2 C 13 20.912 0.000 . 2 . . . . . 359 VAL CG2 . 52075 1 483 . 1 . 1 37 37 VAL N N 15 120.512 0.155 . 1 . . . . . 359 VAL N . 52075 1 484 . 1 . 1 38 38 ILE H H 1 8.412 0.036 . 1 . . . . . 360 ILE H . 52075 1 485 . 1 . 1 38 38 ILE HA H 1 3.479 0.005 . 1 . . . . . 360 ILE HA . 52075 1 486 . 1 . 1 38 38 ILE HB H 1 2.598 0.000 . 1 . . . . . 360 ILE HB . 52075 1 487 . 1 . 1 38 38 ILE HG12 H 1 1.670 0.000 . 2 . . . . . 360 ILE HG12 . 52075 1 488 . 1 . 1 38 38 ILE HG13 H 1 1.409 0.000 . 2 . . . . . 360 ILE HG13 . 52075 1 489 . 1 . 1 38 38 ILE HG21 H 1 1.041 0.000 . 1 . . . . . 360 ILE HG21 . 52075 1 490 . 1 . 1 38 38 ILE HG22 H 1 1.041 0.000 . 1 . . . . . 360 ILE HG22 . 52075 1 491 . 1 . 1 38 38 ILE HG23 H 1 1.041 0.000 . 1 . . . . . 360 ILE HG23 . 52075 1 492 . 1 . 1 38 38 ILE HD11 H 1 0.576 0.000 . 1 . . . . . 360 ILE HD11 . 52075 1 493 . 1 . 1 38 38 ILE HD12 H 1 0.576 0.000 . 1 . . . . . 360 ILE HD12 . 52075 1 494 . 1 . 1 38 38 ILE HD13 H 1 0.576 0.000 . 1 . . . . . 360 ILE HD13 . 52075 1 495 . 1 . 1 38 38 ILE CA C 13 59.624 0.014 . 1 . . . . . 360 ILE CA . 52075 1 496 . 1 . 1 38 38 ILE CB C 13 36.891 0.101 . 1 . . . . . 360 ILE CB . 52075 1 497 . 1 . 1 38 38 ILE CG1 C 13 31.880 0.025 . 1 . . . . . 360 ILE CG1 . 52075 1 498 . 1 . 1 38 38 ILE CG2 C 13 15.28 0.000 . 1 . . . . . 360 ILE CG2 . 52075 1 499 . 1 . 1 38 38 ILE CD1 C 13 12.57 0.126 . 1 . . . . . 360 ILE CD1 . 52075 1 500 . 1 . 1 38 38 ILE N N 15 121.772 0.088 . 1 . . . . . 360 ILE N . 52075 1 501 . 1 . 1 39 39 GLN H H 1 7.748 0.008 . 1 . . . . . 361 GLN H . 52075 1 502 . 1 . 1 39 39 GLN HA H 1 4.076 0.013 . 1 . . . . . 361 GLN HA . 52075 1 503 . 1 . 1 39 39 GLN HB2 H 1 1.854 0.027 . 2 . . . . . 361 GLN HB2 . 52075 1 504 . 1 . 1 39 39 GLN HB3 H 1 1.805 0.000 . 2 . . . . . 361 GLN HB3 . 52075 1 505 . 1 . 1 39 39 GLN HG2 H 1 2.342 0.000 . 2 . . . . . 361 GLN HG2 . 52075 1 506 . 1 . 1 39 39 GLN HG3 H 1 2.404 0.000 . 2 . . . . . 361 GLN HG3 . 52075 1 507 . 1 . 1 39 39 GLN HE21 H 1 8.111 0.000 . 1 . . . . . 361 GLN HE21 . 52075 1 508 . 1 . 1 39 39 GLN HE22 H 1 6.923 0.000 . 1 . . . . . 361 GLN HE22 . 52075 1 509 . 1 . 1 39 39 GLN C C 13 179.323 0.000 . 1 . . . . . 361 GLN C . 52075 1 510 . 1 . 1 39 39 GLN CA C 13 58.879 0.268 . 1 . . . . . 361 GLN CA . 52075 1 511 . 1 . 1 39 39 GLN CB C 13 30.018 0.000 . 1 . . . . . 361 GLN CB . 52075 1 512 . 1 . 1 39 39 GLN CG C 13 36.143 0.005 . 1 . . . . . 361 GLN CG . 52075 1 513 . 1 . 1 39 39 GLN N N 15 118.217 0.163 . 1 . . . . . 361 GLN N . 52075 1 514 . 1 . 1 39 39 GLN NE2 N 15 110.261 0.000 . 1 . . . . . 361 GLN NE2 . 52075 1 515 . 1 . 1 40 40 HIS H H 1 7.932 0.009 . 1 . . . . . 362 HIS H . 52075 1 516 . 1 . 1 40 40 HIS HA H 1 4.428 0.023 . 1 . . . . . 362 HIS HA . 52075 1 517 . 1 . 1 40 40 HIS HB2 H 1 3.434 0.032 . 2 . . . . . 362 HIS HB2 . 52075 1 518 . 1 . 1 40 40 HIS HB3 H 1 3.401 0.000 . 2 . . . . . 362 HIS HB3 . 52075 1 519 . 1 . 1 40 40 HIS HD2 H 1 7.151 0.000 . 1 . . . . . 362 HIS HD2 . 52075 1 520 . 1 . 1 40 40 HIS C C 13 177.419 0.000 . 1 . . . . . 362 HIS C . 52075 1 521 . 1 . 1 40 40 HIS CA C 13 58.453 0.407 . 1 . . . . . 362 HIS CA . 52075 1 522 . 1 . 1 40 40 HIS CB C 13 29.036 0.000 . 1 . . . . . 362 HIS CB . 52075 1 523 . 1 . 1 40 40 HIS CD2 C 13 119.457 0.000 . 1 . . . . . 362 HIS CD2 . 52075 1 524 . 1 . 1 40 40 HIS N N 15 117.253 0.161 . 1 . . . . . 362 HIS N . 52075 1 525 . 1 . 1 41 41 LEU H H 1 8.687 0.009 . 1 . . . . . 363 LEU H . 52075 1 526 . 1 . 1 41 41 LEU HA H 1 4.123 0.015 . 1 . . . . . 363 LEU HA . 52075 1 527 . 1 . 1 41 41 LEU HB2 H 1 2.180 0.006 . 2 . . . . . 363 LEU HB2 . 52075 1 528 . 1 . 1 41 41 LEU HB3 H 1 1.325 0.000 . 2 . . . . . 363 LEU HB3 . 52075 1 529 . 1 . 1 41 41 LEU HG H 1 0.972 0.000 . 1 . . . . . 363 LEU HG . 52075 1 530 . 1 . 1 41 41 LEU HD11 H 1 0.865 0.000 . 1 . . . . . 363 LEU HD11 . 52075 1 531 . 1 . 1 41 41 LEU HD12 H 1 0.865 0.000 . 1 . . . . . 363 LEU HD12 . 52075 1 532 . 1 . 1 41 41 LEU HD13 H 1 0.865 0.000 . 1 . . . . . 363 LEU HD13 . 52075 1 533 . 1 . 1 41 41 LEU HD21 H 1 0.865 0.000 . 1 . . . . . 363 LEU HD21 . 52075 1 534 . 1 . 1 41 41 LEU HD22 H 1 0.865 0.000 . 1 . . . . . 363 LEU HD22 . 52075 1 535 . 1 . 1 41 41 LEU HD23 H 1 0.865 0.000 . 1 . . . . . 363 LEU HD23 . 52075 1 536 . 1 . 1 41 41 LEU C C 13 178.343 0.000 . 1 . . . . . 363 LEU C . 52075 1 537 . 1 . 1 41 41 LEU CA C 13 57.508 0.428 . 1 . . . . . 363 LEU CA . 52075 1 538 . 1 . 1 41 41 LEU CB C 13 42.713 0.085 . 1 . . . . . 363 LEU CB . 52075 1 539 . 1 . 1 41 41 LEU CG C 13 27.194 0.000 . 1 . . . . . 363 LEU CG . 52075 1 540 . 1 . 1 41 41 LEU CD1 C 13 22.412 0.000 . 1 . . . . . 363 LEU CD1 . 52075 1 541 . 1 . 1 41 41 LEU CD2 C 13 22.412 0.000 . 1 . . . . . 363 LEU CD2 . 52075 1 542 . 1 . 1 41 41 LEU N N 15 121.700 0.101 . 1 . . . . . 363 LEU N . 52075 1 543 . 1 . 1 42 42 GLU H H 1 8.856 0.013 . 1 . . . . . 364 GLU H . 52075 1 544 . 1 . 1 42 42 GLU HA H 1 4.000 0.006 . 1 . . . . . 364 GLU HA . 52075 1 545 . 1 . 1 42 42 GLU HB2 H 1 2.270 0.012 . 2 . . . . . 364 GLU HB2 . 52075 1 546 . 1 . 1 42 42 GLU HB3 H 1 1.978 0.009 . 2 . . . . . 364 GLU HB3 . 52075 1 547 . 1 . 1 42 42 GLU HG2 H 1 2.584 0.000 . 2 . . . . . 364 GLU HG2 . 52075 1 548 . 1 . 1 42 42 GLU HG3 H 1 2.150 0.000 . 2 . . . . . 364 GLU HG3 . 52075 1 549 . 1 . 1 42 42 GLU C C 13 178.920 0.000 . 1 . . . . . 364 GLU C . 52075 1 550 . 1 . 1 42 42 GLU CA C 13 59.578 0.032 . 1 . . . . . 364 GLU CA . 52075 1 551 . 1 . 1 42 42 GLU CB C 13 29.381 0.014 . 1 . . . . . 364 GLU CB . 52075 1 552 . 1 . 1 42 42 GLU CG C 13 37.232 0.014 . 1 . . . . . 364 GLU CG . 52075 1 553 . 1 . 1 42 42 GLU N N 15 118.671 0.077 . 1 . . . . . 364 GLU N . 52075 1 554 . 1 . 1 43 43 VAL H H 1 7.759 0.005 . 1 . . . . . 365 VAL H . 52075 1 555 . 1 . 1 43 43 VAL HA H 1 3.711 0.000 . 1 . . . . . 365 VAL HA . 52075 1 556 . 1 . 1 43 43 VAL HB H 1 2.236 0.000 . 1 . . . . . 365 VAL HB . 52075 1 557 . 1 . 1 43 43 VAL HG11 H 1 1.135 0.000 . 2 . . . . . 365 VAL HG11 . 52075 1 558 . 1 . 1 43 43 VAL HG12 H 1 1.135 0.000 . 2 . . . . . 365 VAL HG12 . 52075 1 559 . 1 . 1 43 43 VAL HG13 H 1 1.135 0.000 . 2 . . . . . 365 VAL HG13 . 52075 1 560 . 1 . 1 43 43 VAL HG21 H 1 0.941 0.000 . 2 . . . . . 365 VAL HG21 . 52075 1 561 . 1 . 1 43 43 VAL HG22 H 1 0.941 0.000 . 2 . . . . . 365 VAL HG22 . 52075 1 562 . 1 . 1 43 43 VAL HG23 H 1 0.941 0.000 . 2 . . . . . 365 VAL HG23 . 52075 1 563 . 1 . 1 43 43 VAL C C 13 180.025 0.000 . 1 . . . . . 365 VAL C . 52075 1 564 . 1 . 1 43 43 VAL CA C 13 66.300 0.130 . 1 . . . . . 365 VAL CA . 52075 1 565 . 1 . 1 43 43 VAL CB C 13 31.383 0.000 . 1 . . . . . 365 VAL CB . 52075 1 566 . 1 . 1 43 43 VAL CG1 C 13 22.740 0.000 . 2 . . . . . 365 VAL CG1 . 52075 1 567 . 1 . 1 43 43 VAL CG2 C 13 20.836 0.000 . 2 . . . . . 365 VAL CG2 . 52075 1 568 . 1 . 1 43 43 VAL N N 15 121.062 0.130 . 1 . . . . . 365 VAL N . 52075 1 569 . 1 . 1 44 44 GLU H H 1 7.940 0.034 . 1 . . . . . 366 GLU H . 52075 1 570 . 1 . 1 44 44 GLU HA H 1 4.183 0.025 . 1 . . . . . 366 GLU HA . 52075 1 571 . 1 . 1 44 44 GLU HB2 H 1 2.238 0.000 . 1 . . . . . 366 GLU HB2 . 52075 1 572 . 1 . 1 44 44 GLU HB3 H 1 2.238 0.000 . 1 . . . . . 366 GLU HB3 . 52075 1 573 . 1 . 1 44 44 GLU C C 13 178.015 0.000 . 1 . . . . . 366 GLU C . 52075 1 574 . 1 . 1 44 44 GLU CA C 13 58.814 0.178 . 1 . . . . . 366 GLU CA . 52075 1 575 . 1 . 1 44 44 GLU CB C 13 31.581 0.000 . 1 . . . . . 366 GLU CB . 52075 1 576 . 1 . 1 44 44 GLU N N 15 117.614 0.145 . 1 . . . . . 366 GLU N . 52075 1 577 . 1 . 1 45 45 LEU H H 1 7.793 0.031 . 1 . . . . . 367 LEU H . 52075 1 578 . 1 . 1 45 45 LEU HA H 1 4.330 0.000 . 1 . . . . . 367 LEU HA . 52075 1 579 . 1 . 1 45 45 LEU HB2 H 1 1.673 0.009 . 2 . . . . . 367 LEU HB2 . 52075 1 580 . 1 . 1 45 45 LEU HB3 H 1 1.650 0.032 . 2 . . . . . 367 LEU HB3 . 52075 1 581 . 1 . 1 45 45 LEU HG H 1 1.620 0.000 . 1 . . . . . 367 LEU HG . 52075 1 582 . 1 . 1 45 45 LEU HD11 H 1 0.921 0.000 . 2 . . . . . 367 LEU HD11 . 52075 1 583 . 1 . 1 45 45 LEU HD12 H 1 0.921 0.000 . 2 . . . . . 367 LEU HD12 . 52075 1 584 . 1 . 1 45 45 LEU HD13 H 1 0.921 0.000 . 2 . . . . . 367 LEU HD13 . 52075 1 585 . 1 . 1 45 45 LEU HD21 H 1 0.869 0.000 . 2 . . . . . 367 LEU HD21 . 52075 1 586 . 1 . 1 45 45 LEU HD22 H 1 0.869 0.000 . 2 . . . . . 367 LEU HD22 . 52075 1 587 . 1 . 1 45 45 LEU HD23 H 1 0.869 0.000 . 2 . . . . . 367 LEU HD23 . 52075 1 588 . 1 . 1 45 45 LEU CA C 13 55.812 0.000 . 1 . . . . . 367 LEU CA . 52075 1 589 . 1 . 1 45 45 LEU CB C 13 42.522 0.029 . 1 . . . . . 367 LEU CB . 52075 1 590 . 1 . 1 45 45 LEU CG C 13 26.999 0.154 . 1 . . . . . 367 LEU CG . 52075 1 591 . 1 . 1 45 45 LEU CD1 C 13 24.654 0.000 . 2 . . . . . 367 LEU CD1 . 52075 1 592 . 1 . 1 45 45 LEU CD2 C 13 23.401 0.000 . 2 . . . . . 367 LEU CD2 . 52075 1 593 . 1 . 1 45 45 LEU N N 15 120.136 0.131 . 1 . . . . . 367 LEU N . 52075 1 594 . 1 . 1 46 46 ASN H H 1 7.886 0.008 . 1 . . . . . 368 ASN H . 52075 1 595 . 1 . 1 46 46 ASN HA H 1 4.289 0.011 . 1 . . . . . 368 ASN HA . 52075 1 596 . 1 . 1 46 46 ASN HB2 H 1 2.110 0.047 . 2 . . . . . 368 ASN HB2 . 52075 1 597 . 1 . 1 46 46 ASN HB3 H 1 1.876 0.016 . 2 . . . . . 368 ASN HB3 . 52075 1 598 . 1 . 1 46 46 ASN HD21 H 1 7.587 0.000 . 1 . . . . . 368 ASN HD21 . 52075 1 599 . 1 . 1 46 46 ASN HD22 H 1 6.933 0.000 . 1 . . . . . 368 ASN HD22 . 52075 1 600 . 1 . 1 46 46 ASN C C 13 175.345 0.000 . 1 . . . . . 368 ASN C . 52075 1 601 . 1 . 1 46 46 ASN CA C 13 55.661 0.143 . 1 . . . . . 368 ASN CA . 52075 1 602 . 1 . 1 46 46 ASN CB C 13 38.689 0.000 . 1 . . . . . 368 ASN CB . 52075 1 603 . 1 . 1 46 46 ASN N N 15 119.922 0.141 . 1 . . . . . 368 ASN N . 52075 1 604 . 1 . 1 46 46 ASN ND2 N 15 112.807 0.000 . 1 . . . . . 368 ASN ND2 . 52075 1 605 . 1 . 1 47 47 ARG H H 1 7.695 0.005 . 1 . . . . . 369 ARG H . 52075 1 606 . 1 . 1 47 47 ARG HA H 1 3.974 0.018 . 1 . . . . . 369 ARG HA . 52075 1 607 . 1 . 1 47 47 ARG HB2 H 1 1.737 0.000 . 2 . . . . . 369 ARG HB2 . 52075 1 608 . 1 . 1 47 47 ARG HB3 H 1 1.538 0.000 . 2 . . . . . 369 ARG HB3 . 52075 1 609 . 1 . 1 47 47 ARG HG2 H 1 1.344 0.000 . 1 . . . . . 369 ARG HG2 . 52075 1 610 . 1 . 1 47 47 ARG HG3 H 1 1.344 0.000 . 1 . . . . . 369 ARG HG3 . 52075 1 611 . 1 . 1 47 47 ARG HD2 H 1 2.978 0.000 . 1 . . . . . 369 ARG HD2 . 52075 1 612 . 1 . 1 47 47 ARG HD3 H 1 2.978 0.000 . 1 . . . . . 369 ARG HD3 . 52075 1 613 . 1 . 1 47 47 ARG C C 13 178.262 0.000 . 1 . . . . . 369 ARG C . 52075 1 614 . 1 . 1 47 47 ARG CA C 13 58.604 0.256 . 1 . . . . . 369 ARG CA . 52075 1 615 . 1 . 1 47 47 ARG CB C 13 30.636 0.016 . 1 . . . . . 369 ARG CB . 52075 1 616 . 1 . 1 47 47 ARG CG C 13 27.374 0.000 . 1 . . . . . 369 ARG CG . 52075 1 617 . 1 . 1 47 47 ARG CD C 13 43.244 0.064 . 1 . . . . . 369 ARG CD . 52075 1 618 . 1 . 1 47 47 ARG N N 15 119.920 0.206 . 1 . . . . . 369 ARG N . 52075 1 619 . 1 . 1 48 48 TRP H H 1 7.607 0.004 . 1 . . . . . 370 TRP H . 52075 1 620 . 1 . 1 48 48 TRP HA H 1 4.055 0.030 . 1 . . . . . 370 TRP HA . 52075 1 621 . 1 . 1 48 48 TRP HB2 H 1 2.492 0.040 . 1 . . . . . 370 TRP HB2 . 52075 1 622 . 1 . 1 48 48 TRP HB3 H 1 2.492 0.040 . 1 . . . . . 370 TRP HB3 . 52075 1 623 . 1 . 1 48 48 TRP HD1 H 1 7.205 0.039 . 1 . . . . . 370 TRP HD1 . 52075 1 624 . 1 . 1 48 48 TRP HE1 H 1 10.543 0.006 . 1 . . . . . 370 TRP HE1 . 52075 1 625 . 1 . 1 48 48 TRP HE3 H 1 6.877 0.000 . 1 . . . . . 370 TRP HE3 . 52075 1 626 . 1 . 1 48 48 TRP HZ2 H 1 7.504 0.035 . 1 . . . . . 370 TRP HZ2 . 52075 1 627 . 1 . 1 48 48 TRP HZ3 H 1 7.600 0.000 . 1 . . . . . 370 TRP HZ3 . 52075 1 628 . 1 . 1 48 48 TRP HH2 H 1 7.290 0.000 . 1 . . . . . 370 TRP HH2 . 52075 1 629 . 1 . 1 48 48 TRP C C 13 178.890 0.000 . 1 . . . . . 370 TRP C . 52075 1 630 . 1 . 1 48 48 TRP CA C 13 59.370 0.301 . 1 . . . . . 370 TRP CA . 52075 1 631 . 1 . 1 48 48 TRP CB C 13 31.541 0.000 . 1 . . . . . 370 TRP CB . 52075 1 632 . 1 . 1 48 48 TRP CD1 C 13 127.579 0.000 . 1 . . . . . 370 TRP CD1 . 52075 1 633 . 1 . 1 48 48 TRP CE3 C 13 122.469 0.000 . 1 . . . . . 370 TRP CE3 . 52075 1 634 . 1 . 1 48 48 TRP CZ2 C 13 114.214 0.000 . 1 . . . . . 370 TRP CZ2 . 52075 1 635 . 1 . 1 48 48 TRP CZ3 C 13 121.002 0.000 . 1 . . . . . 370 TRP CZ3 . 52075 1 636 . 1 . 1 48 48 TRP CH2 C 13 124.365 0.000 . 1 . . . . . 370 TRP CH2 . 52075 1 637 . 1 . 1 48 48 TRP N N 15 119.924 0.173 . 1 . . . . . 370 TRP N . 52075 1 638 . 1 . 1 48 48 TRP NE1 N 15 128.533 0.000 . 1 . . . . . 370 TRP NE1 . 52075 1 639 . 1 . 1 49 49 ARG H H 1 8.053 0.042 . 1 . . . . . 371 ARG H . 52075 1 640 . 1 . 1 49 49 ARG HA H 1 3.548 0.019 . 1 . . . . . 371 ARG HA . 52075 1 641 . 1 . 1 49 49 ARG HB2 H 1 1.570 0.021 . 2 . . . . . 371 ARG HB2 . 52075 1 642 . 1 . 1 49 49 ARG HB3 H 1 1.815 0.000 . 2 . . . . . 371 ARG HB3 . 52075 1 643 . 1 . 1 49 49 ARG HG2 H 1 1.567 0.000 . 1 . . . . . 371 ARG HG2 . 52075 1 644 . 1 . 1 49 49 ARG HG3 H 1 1.567 0.000 . 1 . . . . . 371 ARG HG3 . 52075 1 645 . 1 . 1 49 49 ARG HD2 H 1 3.099 0.000 . 2 . . . . . 371 ARG HD2 . 52075 1 646 . 1 . 1 49 49 ARG HD3 H 1 3.027 0.000 . 2 . . . . . 371 ARG HD3 . 52075 1 647 . 1 . 1 49 49 ARG C C 13 176.900 0.000 . 1 . . . . . 371 ARG C . 52075 1 648 . 1 . 1 49 49 ARG CA C 13 58.032 0.200 . 1 . . . . . 371 ARG CA . 52075 1 649 . 1 . 1 49 49 ARG CB C 13 30.694 0.000 . 1 . . . . . 371 ARG CB . 52075 1 650 . 1 . 1 49 49 ARG CG C 13 27.196 0.000 . 1 . . . . . 371 ARG CG . 52075 1 651 . 1 . 1 49 49 ARG CD C 13 43.673 0.092 . 1 . . . . . 371 ARG CD . 52075 1 652 . 1 . 1 49 49 ARG N N 15 117.263 0.161 . 1 . . . . . 371 ARG N . 52075 1 653 . 1 . 1 50 50 ASN H H 1 7.665 0.033 . 1 . . . . . 372 ASN H . 52075 1 654 . 1 . 1 50 50 ASN HA H 1 4.790 0.027 . 1 . . . . . 372 ASN HA . 52075 1 655 . 1 . 1 50 50 ASN HB2 H 1 2.878 0.043 . 2 . . . . . 372 ASN HB2 . 52075 1 656 . 1 . 1 50 50 ASN HB3 H 1 2.755 0.001 . 2 . . . . . 372 ASN HB3 . 52075 1 657 . 1 . 1 50 50 ASN HD21 H 1 7.545 0.005 . 1 . . . . . 372 ASN HD21 . 52075 1 658 . 1 . 1 50 50 ASN HD22 H 1 6.788 0.000 . 1 . . . . . 372 ASN HD22 . 52075 1 659 . 1 . 1 50 50 ASN C C 13 174.448 0.000 . 1 . . . . . 372 ASN C . 52075 1 660 . 1 . 1 50 50 ASN CA C 13 53.092 0.370 . 1 . . . . . 372 ASN CA . 52075 1 661 . 1 . 1 50 50 ASN CB C 13 38.799 0.000 . 1 . . . . . 372 ASN CB . 52075 1 662 . 1 . 1 50 50 ASN N N 15 115.206 0.094 . 1 . . . . . 372 ASN N . 52075 1 663 . 1 . 1 50 50 ASN ND2 N 15 112.734 0.005 . 1 . . . . . 372 ASN ND2 . 52075 1 664 . 1 . 1 51 51 GLY H H 1 7.793 0.032 . 1 . . . . . 373 GLY H . 52075 1 665 . 1 . 1 51 51 GLY HA2 H 1 4.015 0.004 . 2 . . . . . 373 GLY HA2 . 52075 1 666 . 1 . 1 51 51 GLY HA3 H 1 4.616 0.000 . 2 . . . . . 373 GLY HA3 . 52075 1 667 . 1 . 1 51 51 GLY C C 13 173.793 0.000 . 1 . . . . . 373 GLY C . 52075 1 668 . 1 . 1 51 51 GLY CA C 13 46.301 0.436 . 1 . . . . . 373 GLY CA . 52075 1 669 . 1 . 1 51 51 GLY N N 15 109.083 0.239 . 1 . . . . . 373 GLY N . 52075 1 670 . 1 . 1 52 52 GLU H H 1 8.046 0.008 . 1 . . . . . 374 GLU H . 52075 1 671 . 1 . 1 52 52 GLU HA H 1 4.302 0.000 . 1 . . . . . 374 GLU HA . 52075 1 672 . 1 . 1 52 52 GLU HB2 H 1 1.770 0.000 . 1 . . . . . 374 GLU HB2 . 52075 1 673 . 1 . 1 52 52 GLU HB3 H 1 1.770 0.000 . 1 . . . . . 374 GLU HB3 . 52075 1 674 . 1 . 1 52 52 GLU HG2 H 1 2.251 0.000 . 1 . . . . . 374 GLU HG2 . 52075 1 675 . 1 . 1 52 52 GLU HG3 H 1 2.251 0.000 . 1 . . . . . 374 GLU HG3 . 52075 1 676 . 1 . 1 52 52 GLU C C 13 175.151 0.000 . 1 . . . . . 374 GLU C . 52075 1 677 . 1 . 1 52 52 GLU CA C 13 55.232 0.088 . 1 . . . . . 374 GLU CA . 52075 1 678 . 1 . 1 52 52 GLU CB C 13 30.642 0.000 . 1 . . . . . 374 GLU CB . 52075 1 679 . 1 . 1 52 52 GLU CG C 13 36.166 0.000 . 1 . . . . . 374 GLU CG . 52075 1 680 . 1 . 1 52 52 GLU N N 15 119.526 0.218 . 1 . . . . . 374 GLU N . 52075 1 681 . 1 . 1 53 53 ALA H H 1 7.862 0.011 . 1 . . . . . 375 ALA H . 52075 1 682 . 1 . 1 53 53 ALA HA H 1 4.101 0.006 . 1 . . . . . 375 ALA HA . 52075 1 683 . 1 . 1 53 53 ALA HB1 H 1 1.335 0.000 . 1 . . . . . 375 ALA HB1 . 52075 1 684 . 1 . 1 53 53 ALA HB2 H 1 1.335 0.000 . 1 . . . . . 375 ALA HB2 . 52075 1 685 . 1 . 1 53 53 ALA HB3 H 1 1.335 0.000 . 1 . . . . . 375 ALA HB3 . 52075 1 686 . 1 . 1 53 53 ALA C C 13 175.573 0.000 . 1 . . . . . 375 ALA C . 52075 1 687 . 1 . 1 53 53 ALA CA C 13 51.250 0.130 . 1 . . . . . 375 ALA CA . 52075 1 688 . 1 . 1 53 53 ALA CB C 13 18.358 0.000 . 1 . . . . . 375 ALA CB . 52075 1 689 . 1 . 1 53 53 ALA N N 15 124.942 0.219 . 1 . . . . . 375 ALA N . 52075 1 690 . 1 . 1 54 54 VAL H H 1 7.228 0.008 . 1 . . . . . 376 VAL H . 52075 1 691 . 1 . 1 54 54 VAL HA H 1 3.938 0.051 . 1 . . . . . 376 VAL HA . 52075 1 692 . 1 . 1 54 54 VAL HB H 1 2.097 0.000 . 1 . . . . . 376 VAL HB . 52075 1 693 . 1 . 1 54 54 VAL HG11 H 1 0.872 0.000 . 2 . . . . . 376 VAL HG11 . 52075 1 694 . 1 . 1 54 54 VAL HG12 H 1 0.872 0.000 . 2 . . . . . 376 VAL HG12 . 52075 1 695 . 1 . 1 54 54 VAL HG13 H 1 0.872 0.000 . 2 . . . . . 376 VAL HG13 . 52075 1 696 . 1 . 1 54 54 VAL HG21 H 1 0.862 0.000 . 2 . . . . . 376 VAL HG21 . 52075 1 697 . 1 . 1 54 54 VAL HG22 H 1 0.862 0.000 . 2 . . . . . 376 VAL HG22 . 52075 1 698 . 1 . 1 54 54 VAL HG23 H 1 0.862 0.000 . 2 . . . . . 376 VAL HG23 . 52075 1 699 . 1 . 1 54 54 VAL C C 13 180.374 0.000 . 1 . . . . . 376 VAL C . 52075 1 700 . 1 . 1 54 54 VAL CA C 13 63.098 0.599 . 1 . . . . . 376 VAL CA . 52075 1 701 . 1 . 1 54 54 VAL CB C 13 32.822 0.002 . 1 . . . . . 376 VAL CB . 52075 1 702 . 1 . 1 54 54 VAL CG1 C 13 21.595 0.055 . 2 . . . . . 376 VAL CG1 . 52075 1 703 . 1 . 1 54 54 VAL CG2 C 13 20.143 0.000 . 2 . . . . . 376 VAL CG2 . 52075 1 704 . 1 . 1 54 54 VAL N N 15 123.353 0.213 . 1 . . . . . 376 VAL N . 52075 1 stop_ save_