data_34814 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34814 _Entry.Title ; TrkB transmembrane domain NMR structure in DMPC/DHPC bicelles ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-05-04 _Entry.Accession_date 2023-05-04 _Entry.Last_release_date 2023-06-16 _Entry.Original_release_date 2023-06-16 _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 NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_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 E. Kot E. F. . . 34814 2 K. Mineev K. S. . . 34814 3 S. Goncharuk S. A. . . 34814 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID BDNF . 34814 DIMER . 34814 NEUROTROPHIN . 34814 NT-4 . 34814 PROTEIN . 34814 RECEPTOR . 34814 TMD . 34814 TRANSFERASE . 34814 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34814 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 195 34814 '15N chemical shifts' 45 34814 '1H chemical shifts' 338 34814 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 . . 2024-05-08 . original BMRB . 34814 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8OYD 'BMRB Entry Tracking System' 34814 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34814 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural Basis for the transmembrane signaling and antidepressant-induced activation of the receptor tyrosine kinase TrkB ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 E. Kot E. F. . . 34814 1 2 K. Mineev K. S. . . 34814 1 3 S. Goncharuk S. A. . . 34814 1 4 M. Vilar M. . . . 34814 1 5 M. Franco M. L. . . 34814 1 6 A. Benito-Martinez A. . . . 34814 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34814 _Assembly.ID 1 _Assembly.Name 'BDNF/NT-3 growth factors receptor (E.C.2.7.10.1)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34814 1 2 unit_2 1 $entity_1 B B yes . . . . . . 34814 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34814 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MTDKTGREHLSVYAVVVIAS VVGFCLLVMLFLLKLARHSK FGMKG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 45 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 2.7.10.1 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4975.101 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'In the constraint files, the local numeration starts from M1 for chain A and from M101 for chain B.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID GP145-TrkB common 34814 1 'Neurotrophic tyrosine kinase receptor type 2' common 34814 1 Trk-B common 34814 1 'TrkB tyrosine kinase' common 34814 1 'Tropomyosin-related kinase B' common 34814 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 1 422 MET . 34814 1 2 423 THR . 34814 1 3 424 ASP . 34814 1 4 425 LYS . 34814 1 5 426 THR . 34814 1 6 427 GLY . 34814 1 7 428 ARG . 34814 1 8 429 GLU . 34814 1 9 430 HIS . 34814 1 10 431 LEU . 34814 1 11 432 SER . 34814 1 12 433 VAL . 34814 1 13 434 TYR . 34814 1 14 435 ALA . 34814 1 15 436 VAL . 34814 1 16 437 VAL . 34814 1 17 438 VAL . 34814 1 18 439 ILE . 34814 1 19 440 ALA . 34814 1 20 441 SER . 34814 1 21 442 VAL . 34814 1 22 443 VAL . 34814 1 23 444 GLY . 34814 1 24 445 PHE . 34814 1 25 446 CYS . 34814 1 26 447 LEU . 34814 1 27 448 LEU . 34814 1 28 449 VAL . 34814 1 29 450 MET . 34814 1 30 451 LEU . 34814 1 31 452 PHE . 34814 1 32 453 LEU . 34814 1 33 454 LEU . 34814 1 34 455 LYS . 34814 1 35 456 LEU . 34814 1 36 457 ALA . 34814 1 37 458 ARG . 34814 1 38 459 HIS . 34814 1 39 460 SER . 34814 1 40 461 LYS . 34814 1 41 462 PHE . 34814 1 42 463 GLY . 34814 1 43 464 MET . 34814 1 44 465 LYS . 34814 1 45 466 GLY . 34814 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 34814 1 . THR 2 2 34814 1 . ASP 3 3 34814 1 . LYS 4 4 34814 1 . THR 5 5 34814 1 . GLY 6 6 34814 1 . ARG 7 7 34814 1 . GLU 8 8 34814 1 . HIS 9 9 34814 1 . LEU 10 10 34814 1 . SER 11 11 34814 1 . VAL 12 12 34814 1 . TYR 13 13 34814 1 . ALA 14 14 34814 1 . VAL 15 15 34814 1 . VAL 16 16 34814 1 . VAL 17 17 34814 1 . ILE 18 18 34814 1 . ALA 19 19 34814 1 . SER 20 20 34814 1 . VAL 21 21 34814 1 . VAL 22 22 34814 1 . GLY 23 23 34814 1 . PHE 24 24 34814 1 . CYS 25 25 34814 1 . LEU 26 26 34814 1 . LEU 27 27 34814 1 . VAL 28 28 34814 1 . MET 29 29 34814 1 . LEU 30 30 34814 1 . PHE 31 31 34814 1 . LEU 32 32 34814 1 . LEU 33 33 34814 1 . LYS 34 34 34814 1 . LEU 35 35 34814 1 . ALA 36 36 34814 1 . ARG 37 37 34814 1 . HIS 38 38 34814 1 . SER 39 39 34814 1 . LYS 40 40 34814 1 . PHE 41 41 34814 1 . GLY 42 42 34814 1 . MET 43 43 34814 1 . LYS 44 44 34814 1 . GLY 45 45 34814 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 34814 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . TK+ . . . . . . . . . 'NTRK2, TRKB' . 34814 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 34814 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . plasmid . . pGEMEX-1 . . . 34814 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34814 _Sample.ID 1 _Sample.Name . _Sample.Type bicelle _Sample.Sub_type . _Sample.Details ; 5 % v/v [U-2H] D2O, 1.1 mM [U-100% 13C; U-100% 15N] High affinity receptor of neurotrophin-4 and brain-derived neurotrophic factor (TrkB), 9.6 mM [U-2H] DMPC, 42.7 mM [U-2H] DHPC, 1.0 mM n.a. TCEP, 0.01 % w/v n.a. sodium azide, 20.0 mM n.a. sodium phosphate buffer, 0.5 mM d4 TSP, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 D2O [U-2H] . . . . . . 5 . . '% v/v' 0.5 . . . 34814 1 2 'High affinity receptor of neurotrophin-4 and brain-derived neurotrophic factor (TrkB)' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1.1 . . mM 0.05 . . . 34814 1 3 DMPC [U-2H] . . . . . . 9.6 . . mM 0.1 . . . 34814 1 4 DHPC [U-2H] . . . . . . 42.7 . . mM 0.5 . . . 34814 1 5 TCEP n.a. . . . . . . 1.0 . . mM 0.1 . . . 34814 1 6 'sodium azide' n.a. . . . . . . 0.01 . . '% w/v' 0.001 . . . 34814 1 7 'sodium phosphate buffer' n.a. . . . . . . 20.0 . . mM 0.1 . . . 34814 1 8 TSP d4 . . . . . . 0.5 . . mM 0.01 . . . 34814 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 34814 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 0.1 mM 34814 1 pH 6.0 0.1 pH 34814 1 pressure 1 . atm 34814 1 temperature 313 0.1 K 34814 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34814 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version 3.98.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34814 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34814 1 'structure calculation' . 34814 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34814 _Software.ID 2 _Software.Type . _Software.Name TopSpin _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34814 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 34814 2 processing . 34814 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34814 _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version 1.9.1.7 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34814 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34814 3 'peak picking' . 34814 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34814 _Software.ID 4 _Software.Type . _Software.Name TALOS-N _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen and Bax' . . 34814 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34814 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34814 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'cryogenic triple resonance probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _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 34814 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'room temperature triple resonance probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 34814 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 600 . . . 34814 1 2 NMR_spectrometer_2 Bruker AVANCE . 700 . . . 34814 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 34814 _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-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34814 1 2 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34814 1 3 '2D 1H-15N TROSY HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34814 1 4 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34814 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34814 1 6 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34814 1 7 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34814 1 8 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34814 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34814 1 10 '2D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34814 1 11 '3D 1H-13C-NOESY, 13C-filtered' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34814 1 12 '1D 1H' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34814 1 13 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34814 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 34814 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 34814 1 H 1 TSP 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34814 1 N 15 TSP 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34814 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 34814 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HSQC aliphatic' . . . 34814 1 2 '2D 1H-13C HSQC aromatic' . . . 34814 1 3 '2D 1H-15N TROSY HSQC' . . . 34814 1 4 '3D HNCA' . . . 34814 1 5 '3D HNCACB' . . . 34814 1 6 '3D HNCO' . . . 34814 1 7 '3D HN(CO)CA' . . . 34814 1 8 '3D HN(CA)CO' . . . 34814 1 9 '3D 1H-13C NOESY aliphatic' . . . 34814 1 10 '2D HCCH-TOCSY' . . . 34814 1 11 '3D 1H-13C-NOESY, 13C-filtered' . . . 34814 1 12 '1D 1H' . . . 34814 1 13 '2D 1H-15N HSQC' . . . 34814 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 MET H H 1 8.493 0.020 . 1 . . . . A 422 MET H1 . 34814 1 2 . 1 . 1 1 1 MET HA H 1 4.628 0.020 . 1 . . . . A 422 MET HA . 34814 1 3 . 1 . 1 1 1 MET HB2 H 1 2.156 0.020 . 2 . . . . A 422 MET HB2 . 34814 1 4 . 1 . 1 1 1 MET HB3 H 1 2.056 0.020 . 2 . . . . A 422 MET HB3 . 34814 1 5 . 1 . 1 1 1 MET HG2 H 1 2.637 0.020 . 2 . . . . A 422 MET HG2 . 34814 1 6 . 1 . 1 1 1 MET HG3 H 1 2.591 0.020 . 2 . . . . A 422 MET HG3 . 34814 1 7 . 1 . 1 1 1 MET C C 13 176.278 0.400 . 1 . . . . A 422 MET C . 34814 1 8 . 1 . 1 1 1 MET CA C 13 54.492 0.400 . 1 . . . . A 422 MET CA . 34814 1 9 . 1 . 1 1 1 MET CB C 13 33.392 0.400 . 1 . . . . A 422 MET CB . 34814 1 10 . 1 . 1 1 1 MET CG C 13 32.134 0.400 . 1 . . . . A 422 MET CG . 34814 1 11 . 1 . 1 1 1 MET N N 15 128.370 0.400 . 1 . . . . A 422 MET N . 34814 1 12 . 1 . 1 2 2 THR H H 1 8.202 0.020 . 1 . . . . A 423 THR H . 34814 1 13 . 1 . 1 2 2 THR HA H 1 4.423 0.020 . 1 . . . . A 423 THR HA . 34814 1 14 . 1 . 1 2 2 THR HB H 1 4.280 0.020 . 1 . . . . A 423 THR HB . 34814 1 15 . 1 . 1 2 2 THR HG21 H 1 1.218 0.020 . 1 . . . . A 423 THR HG21 . 34814 1 16 . 1 . 1 2 2 THR HG22 H 1 1.218 0.020 . 1 . . . . A 423 THR HG22 . 34814 1 17 . 1 . 1 2 2 THR HG23 H 1 1.218 0.020 . 1 . . . . A 423 THR HG23 . 34814 1 18 . 1 . 1 2 2 THR C C 13 174.287 0.400 . 1 . . . . A 423 THR C . 34814 1 19 . 1 . 1 2 2 THR CA C 13 61.921 0.400 . 1 . . . . A 423 THR CA . 34814 1 20 . 1 . 1 2 2 THR CB C 13 69.978 0.400 . 1 . . . . A 423 THR CB . 34814 1 21 . 1 . 1 2 2 THR CG2 C 13 21.654 0.400 . 1 . . . . A 423 THR CG2 . 34814 1 22 . 1 . 1 2 2 THR N N 15 114.390 0.400 . 1 . . . . A 423 THR N . 34814 1 23 . 1 . 1 3 3 ASP H H 1 8.322 0.020 . 1 . . . . A 424 ASP H . 34814 1 24 . 1 . 1 3 3 ASP HA H 1 4.658 0.020 . 1 . . . . A 424 ASP HA . 34814 1 25 . 1 . 1 3 3 ASP HB2 H 1 2.741 0.020 . 2 . . . . A 424 ASP HB2 . 34814 1 26 . 1 . 1 3 3 ASP HB3 H 1 2.741 0.020 . 2 . . . . A 424 ASP HB3 . 34814 1 27 . 1 . 1 3 3 ASP C C 13 176.578 0.400 . 1 . . . . A 424 ASP C . 34814 1 28 . 1 . 1 3 3 ASP CA C 13 54.467 0.400 . 1 . . . . A 424 ASP CA . 34814 1 29 . 1 . 1 3 3 ASP CB C 13 41.385 0.400 . 1 . . . . A 424 ASP CB . 34814 1 30 . 1 . 1 3 3 ASP N N 15 122.443 0.400 . 1 . . . . A 424 ASP N . 34814 1 31 . 1 . 1 4 4 LYS H H 1 8.333 0.020 . 1 . . . . A 425 LYS H . 34814 1 32 . 1 . 1 4 4 LYS HA H 1 4.356 0.020 . 1 . . . . A 425 LYS HA . 34814 1 33 . 1 . 1 4 4 LYS HB2 H 1 1.928 0.020 . 2 . . . . A 425 LYS HB2 . 34814 1 34 . 1 . 1 4 4 LYS HB3 H 1 1.807 0.020 . 2 . . . . A 425 LYS HB3 . 34814 1 35 . 1 . 1 4 4 LYS HG2 H 1 1.492 0.020 . 2 . . . . A 425 LYS HG2 . 34814 1 36 . 1 . 1 4 4 LYS HG3 H 1 1.440 0.020 . 2 . . . . A 425 LYS HG3 . 34814 1 37 . 1 . 1 4 4 LYS HD2 H 1 1.704 0.020 . 2 . . . . A 425 LYS HD2 . 34814 1 38 . 1 . 1 4 4 LYS HD3 H 1 1.500 0.020 . 2 . . . . A 425 LYS HD3 . 34814 1 39 . 1 . 1 4 4 LYS HE2 H 1 3.031 0.020 . 2 . . . . A 425 LYS HE2 . 34814 1 40 . 1 . 1 4 4 LYS HE3 H 1 3.031 0.020 . 2 . . . . A 425 LYS HE3 . 34814 1 41 . 1 . 1 4 4 LYS C C 13 177.200 0.400 . 1 . . . . A 425 LYS C . 34814 1 42 . 1 . 1 4 4 LYS CA C 13 56.885 0.400 . 1 . . . . A 425 LYS CA . 34814 1 43 . 1 . 1 4 4 LYS CB C 13 32.831 0.400 . 1 . . . . A 425 LYS CB . 34814 1 44 . 1 . 1 4 4 LYS CG C 13 24.878 0.400 . 1 . . . . A 425 LYS CG . 34814 1 45 . 1 . 1 4 4 LYS CD C 13 29.085 0.400 . 1 . . . . A 425 LYS CD . 34814 1 46 . 1 . 1 4 4 LYS CE C 13 42.237 0.400 . 1 . . . . A 425 LYS CE . 34814 1 47 . 1 . 1 4 4 LYS N N 15 121.561 0.400 . 1 . . . . A 425 LYS N . 34814 1 48 . 1 . 1 5 5 THR H H 1 8.261 0.020 . 1 . . . . A 426 THR H . 34814 1 49 . 1 . 1 5 5 THR HA H 1 4.321 0.020 . 1 . . . . A 426 THR HA . 34814 1 50 . 1 . 1 5 5 THR HB H 1 4.280 0.020 . 1 . . . . A 426 THR HB . 34814 1 51 . 1 . 1 5 5 THR HG21 H 1 1.251 0.020 . 1 . . . . A 426 THR HG21 . 34814 1 52 . 1 . 1 5 5 THR HG22 H 1 1.251 0.020 . 1 . . . . A 426 THR HG22 . 34814 1 53 . 1 . 1 5 5 THR HG23 H 1 1.251 0.020 . 1 . . . . A 426 THR HG23 . 34814 1 54 . 1 . 1 5 5 THR C C 13 175.707 0.400 . 1 . . . . A 426 THR C . 34814 1 55 . 1 . 1 5 5 THR CA C 13 62.886 0.400 . 1 . . . . A 426 THR CA . 34814 1 56 . 1 . 1 5 5 THR CB C 13 69.934 0.400 . 1 . . . . A 426 THR CB . 34814 1 57 . 1 . 1 5 5 THR CG2 C 13 21.795 0.400 . 1 . . . . A 426 THR CG2 . 34814 1 58 . 1 . 1 5 5 THR N N 15 113.522 0.400 . 1 . . . . A 426 THR N . 34814 1 59 . 1 . 1 6 6 GLY H H 1 8.479 0.020 . 1 . . . . A 427 GLY H . 34814 1 60 . 1 . 1 6 6 GLY HA2 H 1 4.090 0.020 . 2 . . . . A 427 GLY HA2 . 34814 1 61 . 1 . 1 6 6 GLY HA3 H 1 3.988 0.020 . 2 . . . . A 427 GLY HA3 . 34814 1 62 . 1 . 1 6 6 GLY C C 13 174.640 0.400 . 1 . . . . A 427 GLY C . 34814 1 63 . 1 . 1 6 6 GLY CA C 13 45.906 0.400 . 1 . . . . A 427 GLY CA . 34814 1 64 . 1 . 1 6 6 GLY N N 15 111.083 0.400 . 1 . . . . A 427 GLY N . 34814 1 65 . 1 . 1 7 7 ARG H H 1 8.165 0.020 . 1 . . . . A 428 ARG H . 34814 1 66 . 1 . 1 7 7 ARG HA H 1 4.312 0.020 . 1 . . . . A 428 ARG HA . 34814 1 67 . 1 . 1 7 7 ARG HB2 H 1 1.900 0.020 . 2 . . . . A 428 ARG HB2 . 34814 1 68 . 1 . 1 7 7 ARG HB3 H 1 1.788 0.020 . 2 . . . . A 428 ARG HB3 . 34814 1 69 . 1 . 1 7 7 ARG HG2 H 1 1.641 0.020 . 2 . . . . A 428 ARG HG2 . 34814 1 70 . 1 . 1 7 7 ARG HG3 H 1 1.641 0.020 . 2 . . . . A 428 ARG HG3 . 34814 1 71 . 1 . 1 7 7 ARG HD2 H 1 3.219 0.020 . 2 . . . . A 428 ARG HD2 . 34814 1 72 . 1 . 1 7 7 ARG HD3 H 1 3.219 0.020 . 2 . . . . A 428 ARG HD3 . 34814 1 73 . 1 . 1 7 7 ARG C C 13 176.931 0.400 . 1 . . . . A 428 ARG C . 34814 1 74 . 1 . 1 7 7 ARG CA C 13 56.805 0.400 . 1 . . . . A 428 ARG CA . 34814 1 75 . 1 . 1 7 7 ARG CB C 13 30.780 0.400 . 1 . . . . A 428 ARG CB . 34814 1 76 . 1 . 1 7 7 ARG CG C 13 27.378 0.400 . 1 . . . . A 428 ARG CG . 34814 1 77 . 1 . 1 7 7 ARG CD C 13 43.528 0.400 . 1 . . . . A 428 ARG CD . 34814 1 78 . 1 . 1 7 7 ARG N N 15 119.955 0.400 . 1 . . . . A 428 ARG N . 34814 1 79 . 1 . 1 8 8 GLU H H 1 8.659 0.020 . 1 . . . . A 429 GLU H . 34814 1 80 . 1 . 1 8 8 GLU HA H 1 4.204 0.020 . 1 . . . . A 429 GLU HA . 34814 1 81 . 1 . 1 8 8 GLU HB2 H 1 1.969 0.020 . 2 . . . . A 429 GLU HB2 . 34814 1 82 . 1 . 1 8 8 GLU HB3 H 1 1.969 0.020 . 2 . . . . A 429 GLU HB3 . 34814 1 83 . 1 . 1 8 8 GLU HG2 H 1 2.275 0.020 . 2 . . . . A 429 GLU HG2 . 34814 1 84 . 1 . 1 8 8 GLU HG3 H 1 2.236 0.020 . 2 . . . . A 429 GLU HG3 . 34814 1 85 . 1 . 1 8 8 GLU C C 13 176.869 0.400 . 1 . . . . A 429 GLU C . 34814 1 86 . 1 . 1 8 8 GLU CA C 13 57.903 0.400 . 1 . . . . A 429 GLU CA . 34814 1 87 . 1 . 1 8 8 GLU CB C 13 29.727 0.400 . 1 . . . . A 429 GLU CB . 34814 1 88 . 1 . 1 8 8 GLU CG C 13 36.362 0.400 . 1 . . . . A 429 GLU CG . 34814 1 89 . 1 . 1 8 8 GLU N N 15 120.965 0.400 . 1 . . . . A 429 GLU N . 34814 1 90 . 1 . 1 9 9 HIS H H 1 8.283 0.020 . 1 . . . . A 430 HIS H . 34814 1 91 . 1 . 1 9 9 HIS HA H 1 4.671 0.020 . 1 . . . . A 430 HIS HA . 34814 1 92 . 1 . 1 9 9 HIS HB2 H 1 3.198 0.020 . 2 . . . . A 430 HIS HB2 . 34814 1 93 . 1 . 1 9 9 HIS HB3 H 1 3.136 0.020 . 2 . . . . A 430 HIS HB3 . 34814 1 94 . 1 . 1 9 9 HIS HD2 H 1 7.219 0.020 . 1 . . . . A 430 HIS HD2 . 34814 1 95 . 1 . 1 9 9 HIS HE1 H 1 8.218 0.020 . 1 . . . . A 430 HIS HE1 . 34814 1 96 . 1 . 1 9 9 HIS C C 13 175.251 0.400 . 1 . . . . A 430 HIS C . 34814 1 97 . 1 . 1 9 9 HIS CA C 13 56.313 0.400 . 1 . . . . A 430 HIS CA . 34814 1 98 . 1 . 1 9 9 HIS CB C 13 30.042 0.400 . 1 . . . . A 430 HIS CB . 34814 1 99 . 1 . 1 9 9 HIS CD2 C 13 120.791 0.400 . 1 . . . . A 430 HIS CD2 . 34814 1 100 . 1 . 1 9 9 HIS CE1 C 13 137.880 0.400 . 1 . . . . A 430 HIS CE1 . 34814 1 101 . 1 . 1 9 9 HIS N N 15 117.719 0.400 . 1 . . . . A 430 HIS N . 34814 1 102 . 1 . 1 10 10 LEU H H 1 8.181 0.020 . 1 . . . . A 431 LEU H . 34814 1 103 . 1 . 1 10 10 LEU HA H 1 4.282 0.020 . 1 . . . . A 431 LEU HA . 34814 1 104 . 1 . 1 10 10 LEU HB2 H 1 1.750 0.020 . 2 . . . . A 431 LEU HB2 . 34814 1 105 . 1 . 1 10 10 LEU HB3 H 1 1.620 0.020 . 2 . . . . A 431 LEU HB3 . 34814 1 106 . 1 . 1 10 10 LEU HG H 1 1.723 0.020 . 1 . . . . A 431 LEU HG . 34814 1 107 . 1 . 1 10 10 LEU HD11 H 1 0.951 0.020 . 2 . . . . A 431 LEU HD11 . 34814 1 108 . 1 . 1 10 10 LEU HD12 H 1 0.951 0.020 . 2 . . . . A 431 LEU HD12 . 34814 1 109 . 1 . 1 10 10 LEU HD13 H 1 0.951 0.020 . 2 . . . . A 431 LEU HD13 . 34814 1 110 . 1 . 1 10 10 LEU HD21 H 1 0.904 0.020 . 2 . . . . A 431 LEU HD21 . 34814 1 111 . 1 . 1 10 10 LEU HD22 H 1 0.904 0.020 . 2 . . . . A 431 LEU HD22 . 34814 1 112 . 1 . 1 10 10 LEU HD23 H 1 0.904 0.020 . 2 . . . . A 431 LEU HD23 . 34814 1 113 . 1 . 1 10 10 LEU C C 13 177.273 0.400 . 1 . . . . A 431 LEU C . 34814 1 114 . 1 . 1 10 10 LEU CA C 13 56.573 0.400 . 1 . . . . A 431 LEU CA . 34814 1 115 . 1 . 1 10 10 LEU CB C 13 42.659 0.400 . 1 . . . . A 431 LEU CB . 34814 1 116 . 1 . 1 10 10 LEU CG C 13 27.150 0.400 . 1 . . . . A 431 LEU CG . 34814 1 117 . 1 . 1 10 10 LEU CD1 C 13 25.183 0.400 . 2 . . . . A 431 LEU CD1 . 34814 1 118 . 1 . 1 10 10 LEU CD2 C 13 24.341 0.400 . 2 . . . . A 431 LEU CD2 . 34814 1 119 . 1 . 1 10 10 LEU N N 15 121.280 0.400 . 1 . . . . A 431 LEU N . 34814 1 120 . 1 . 1 11 11 SER H H 1 8.284 0.020 . 1 . . . . A 432 SER H . 34814 1 121 . 1 . 1 11 11 SER HA H 1 4.369 0.020 . 1 . . . . A 432 SER HA . 34814 1 122 . 1 . 1 11 11 SER HB2 H 1 4.169 0.020 . 2 . . . . A 432 SER HB2 . 34814 1 123 . 1 . 1 11 11 SER HB3 H 1 3.986 0.020 . 2 . . . . A 432 SER HB3 . 34814 1 124 . 1 . 1 11 11 SER CA C 13 59.801 0.400 . 1 . . . . A 432 SER CA . 34814 1 125 . 1 . 1 11 11 SER CB C 13 63.997 0.400 . 1 . . . . A 432 SER CB . 34814 1 126 . 1 . 1 11 11 SER N N 15 115.729 0.400 . 1 . . . . A 432 SER N . 34814 1 127 . 1 . 1 12 12 VAL H H 1 8.178 0.020 . 1 . . . . A 433 VAL H . 34814 1 128 . 1 . 1 12 12 VAL HA H 1 3.681 0.020 . 1 . . . . A 433 VAL HA . 34814 1 129 . 1 . 1 12 12 VAL HB H 1 2.103 0.020 . 1 . . . . A 433 VAL HB . 34814 1 130 . 1 . 1 12 12 VAL HG11 H 1 0.844 0.020 . 2 . . . . A 433 VAL HG11 . 34814 1 131 . 1 . 1 12 12 VAL HG12 H 1 0.844 0.020 . 2 . . . . A 433 VAL HG12 . 34814 1 132 . 1 . 1 12 12 VAL HG13 H 1 0.844 0.020 . 2 . . . . A 433 VAL HG13 . 34814 1 133 . 1 . 1 12 12 VAL HG21 H 1 1.021 0.020 . 2 . . . . A 433 VAL HG21 . 34814 1 134 . 1 . 1 12 12 VAL HG22 H 1 1.021 0.020 . 2 . . . . A 433 VAL HG22 . 34814 1 135 . 1 . 1 12 12 VAL HG23 H 1 1.021 0.020 . 2 . . . . A 433 VAL HG23 . 34814 1 136 . 1 . 1 12 12 VAL CA C 13 66.286 0.400 . 1 . . . . A 433 VAL CA . 34814 1 137 . 1 . 1 12 12 VAL CB C 13 31.513 0.400 . 1 . . . . A 433 VAL CB . 34814 1 138 . 1 . 1 12 12 VAL CG1 C 13 21.122 0.400 . 2 . . . . A 433 VAL CG1 . 34814 1 139 . 1 . 1 12 12 VAL CG2 C 13 22.621 0.400 . 2 . . . . A 433 VAL CG2 . 34814 1 140 . 1 . 1 12 12 VAL N N 15 121.590 0.400 . 1 . . . . A 433 VAL N . 34814 1 141 . 1 . 1 13 13 TYR H H 1 7.826 0.020 . 1 . . . . A 434 TYR H . 34814 1 142 . 1 . 1 13 13 TYR HA H 1 4.179 0.020 . 1 . . . . A 434 TYR HA . 34814 1 143 . 1 . 1 13 13 TYR HB2 H 1 3.125 0.020 . 2 . . . . A 434 TYR HB2 . 34814 1 144 . 1 . 1 13 13 TYR HB3 H 1 3.016 0.020 . 2 . . . . A 434 TYR HB3 . 34814 1 145 . 1 . 1 13 13 TYR HD1 H 1 7.035 0.020 . 1 . . . . A 434 TYR HD1 . 34814 1 146 . 1 . 1 13 13 TYR HD2 H 1 7.035 0.020 . 1 . . . . A 434 TYR HD2 . 34814 1 147 . 1 . 1 13 13 TYR HE1 H 1 6.798 0.020 . 1 . . . . A 434 TYR HE1 . 34814 1 148 . 1 . 1 13 13 TYR HE2 H 1 6.798 0.020 . 1 . . . . A 434 TYR HE2 . 34814 1 149 . 1 . 1 13 13 TYR C C 13 177.480 0.400 . 1 . . . . A 434 TYR C . 34814 1 150 . 1 . 1 13 13 TYR CA C 13 60.835 0.400 . 1 . . . . A 434 TYR CA . 34814 1 151 . 1 . 1 13 13 TYR CB C 13 37.921 0.400 . 1 . . . . A 434 TYR CB . 34814 1 152 . 1 . 1 13 13 TYR N N 15 118.072 0.400 . 1 . . . . A 434 TYR N . 34814 1 153 . 1 . 1 14 14 ALA H H 1 8.146 0.020 . 1 . . . . A 435 ALA H . 34814 1 154 . 1 . 1 14 14 ALA HA H 1 3.947 0.020 . 1 . . . . A 435 ALA HA . 34814 1 155 . 1 . 1 14 14 ALA HB1 H 1 1.572 0.020 . 1 . . . . A 435 ALA HB1 . 34814 1 156 . 1 . 1 14 14 ALA HB2 H 1 1.572 0.020 . 1 . . . . A 435 ALA HB2 . 34814 1 157 . 1 . 1 14 14 ALA HB3 H 1 1.572 0.020 . 1 . . . . A 435 ALA HB3 . 34814 1 158 . 1 . 1 14 14 ALA C C 13 179.253 0.400 . 1 . . . . A 435 ALA C . 34814 1 159 . 1 . 1 14 14 ALA CA C 13 55.783 0.400 . 1 . . . . A 435 ALA CA . 34814 1 160 . 1 . 1 14 14 ALA CB C 13 18.536 0.400 . 1 . . . . A 435 ALA CB . 34814 1 161 . 1 . 1 14 14 ALA N N 15 119.601 0.400 . 1 . . . . A 435 ALA N . 34814 1 162 . 1 . 1 15 15 VAL H H 1 7.908 0.020 . 1 . . . . A 436 VAL H . 34814 1 163 . 1 . 1 15 15 VAL HA H 1 3.542 0.020 . 1 . . . . A 436 VAL HA . 34814 1 164 . 1 . 1 15 15 VAL HB H 1 2.302 0.020 . 1 . . . . A 436 VAL HB . 34814 1 165 . 1 . 1 15 15 VAL HG11 H 1 0.945 0.020 . 2 . . . . A 436 VAL HG11 . 34814 1 166 . 1 . 1 15 15 VAL HG12 H 1 0.945 0.020 . 2 . . . . A 436 VAL HG12 . 34814 1 167 . 1 . 1 15 15 VAL HG13 H 1 0.945 0.020 . 2 . . . . A 436 VAL HG13 . 34814 1 168 . 1 . 1 15 15 VAL HG21 H 1 1.116 0.020 . 2 . . . . A 436 VAL HG21 . 34814 1 169 . 1 . 1 15 15 VAL HG22 H 1 1.116 0.020 . 2 . . . . A 436 VAL HG22 . 34814 1 170 . 1 . 1 15 15 VAL HG23 H 1 1.116 0.020 . 2 . . . . A 436 VAL HG23 . 34814 1 171 . 1 . 1 15 15 VAL C C 13 177.325 0.400 . 1 . . . . A 436 VAL C . 34814 1 172 . 1 . 1 15 15 VAL CA C 13 67.355 0.400 . 1 . . . . A 436 VAL CA . 34814 1 173 . 1 . 1 15 15 VAL CB C 13 31.356 0.400 . 1 . . . . A 436 VAL CB . 34814 1 174 . 1 . 1 15 15 VAL CG1 C 13 21.729 0.400 . 2 . . . . A 436 VAL CG1 . 34814 1 175 . 1 . 1 15 15 VAL CG2 C 13 23.471 0.400 . 2 . . . . A 436 VAL CG2 . 34814 1 176 . 1 . 1 15 15 VAL N N 15 116.127 0.400 . 1 . . . . A 436 VAL N . 34814 1 177 . 1 . 1 16 16 VAL H H 1 8.172 0.020 . 1 . . . . A 437 VAL H . 34814 1 178 . 1 . 1 16 16 VAL HA H 1 3.563 0.020 . 1 . . . . A 437 VAL HA . 34814 1 179 . 1 . 1 16 16 VAL HB H 1 2.327 0.020 . 1 . . . . A 437 VAL HB . 34814 1 180 . 1 . 1 16 16 VAL HG11 H 1 0.925 0.020 . 2 . . . . A 437 VAL HG11 . 34814 1 181 . 1 . 1 16 16 VAL HG12 H 1 0.925 0.020 . 2 . . . . A 437 VAL HG12 . 34814 1 182 . 1 . 1 16 16 VAL HG13 H 1 0.925 0.020 . 2 . . . . A 437 VAL HG13 . 34814 1 183 . 1 . 1 16 16 VAL HG21 H 1 1.074 0.020 . 2 . . . . A 437 VAL HG21 . 34814 1 184 . 1 . 1 16 16 VAL HG22 H 1 1.074 0.020 . 2 . . . . A 437 VAL HG22 . 34814 1 185 . 1 . 1 16 16 VAL HG23 H 1 1.074 0.020 . 2 . . . . A 437 VAL HG23 . 34814 1 186 . 1 . 1 16 16 VAL C C 13 178.838 0.400 . 1 . . . . A 437 VAL C . 34814 1 187 . 1 . 1 16 16 VAL CA C 13 67.349 0.400 . 1 . . . . A 437 VAL CA . 34814 1 188 . 1 . 1 16 16 VAL CB C 13 31.354 0.400 . 1 . . . . A 437 VAL CB . 34814 1 189 . 1 . 1 16 16 VAL CG1 C 13 21.733 0.400 . 2 . . . . A 437 VAL CG1 . 34814 1 190 . 1 . 1 16 16 VAL CG2 C 13 23.394 0.400 . 2 . . . . A 437 VAL CG2 . 34814 1 191 . 1 . 1 16 16 VAL N N 15 118.704 0.400 . 1 . . . . A 437 VAL N . 34814 1 192 . 1 . 1 17 17 VAL H H 1 8.376 0.020 . 1 . . . . A 438 VAL H . 34814 1 193 . 1 . 1 17 17 VAL HA H 1 3.563 0.020 . 1 . . . . A 438 VAL HA . 34814 1 194 . 1 . 1 17 17 VAL HB H 1 2.244 0.020 . 1 . . . . A 438 VAL HB . 34814 1 195 . 1 . 1 17 17 VAL HG11 H 1 0.878 0.020 . 2 . . . . A 438 VAL HG11 . 34814 1 196 . 1 . 1 17 17 VAL HG12 H 1 0.878 0.020 . 2 . . . . A 438 VAL HG12 . 34814 1 197 . 1 . 1 17 17 VAL HG13 H 1 0.878 0.020 . 2 . . . . A 438 VAL HG13 . 34814 1 198 . 1 . 1 17 17 VAL HG21 H 1 0.991 0.020 . 2 . . . . A 438 VAL HG21 . 34814 1 199 . 1 . 1 17 17 VAL HG22 H 1 0.991 0.020 . 2 . . . . A 438 VAL HG22 . 34814 1 200 . 1 . 1 17 17 VAL HG23 H 1 0.991 0.020 . 2 . . . . A 438 VAL HG23 . 34814 1 201 . 1 . 1 17 17 VAL C C 13 177.594 0.400 . 1 . . . . A 438 VAL C . 34814 1 202 . 1 . 1 17 17 VAL CA C 13 67.805 0.400 . 1 . . . . A 438 VAL CA . 34814 1 203 . 1 . 1 17 17 VAL CB C 13 31.454 0.400 . 1 . . . . A 438 VAL CB . 34814 1 204 . 1 . 1 17 17 VAL CG1 C 13 21.598 0.400 . 2 . . . . A 438 VAL CG1 . 34814 1 205 . 1 . 1 17 17 VAL CG2 C 13 23.381 0.400 . 2 . . . . A 438 VAL CG2 . 34814 1 206 . 1 . 1 17 17 VAL N N 15 121.346 0.400 . 1 . . . . A 438 VAL N . 34814 1 207 . 1 . 1 18 18 ILE H H 1 8.454 0.020 . 1 . . . . A 439 ILE H . 34814 1 208 . 1 . 1 18 18 ILE HA H 1 3.558 0.020 . 1 . . . . A 439 ILE HA . 34814 1 209 . 1 . 1 18 18 ILE HB H 1 1.949 0.020 . 1 . . . . A 439 ILE HB . 34814 1 210 . 1 . 1 18 18 ILE HG12 H 1 1.034 0.020 . 2 . . . . A 439 ILE HG12 . 34814 1 211 . 1 . 1 18 18 ILE HG13 H 1 1.034 0.020 . 2 . . . . A 439 ILE HG13 . 34814 1 212 . 1 . 1 18 18 ILE HG21 H 1 0.883 0.020 . 1 . . . . A 439 ILE HG21 . 34814 1 213 . 1 . 1 18 18 ILE HG22 H 1 0.883 0.020 . 1 . . . . A 439 ILE HG22 . 34814 1 214 . 1 . 1 18 18 ILE HG23 H 1 0.883 0.020 . 1 . . . . A 439 ILE HG23 . 34814 1 215 . 1 . 1 18 18 ILE HD11 H 1 0.833 0.020 . 1 . . . . A 439 ILE HD11 . 34814 1 216 . 1 . 1 18 18 ILE HD12 H 1 0.833 0.020 . 1 . . . . A 439 ILE HD12 . 34814 1 217 . 1 . 1 18 18 ILE HD13 H 1 0.833 0.020 . 1 . . . . A 439 ILE HD13 . 34814 1 218 . 1 . 1 18 18 ILE C C 13 177.501 0.400 . 1 . . . . A 439 ILE C . 34814 1 219 . 1 . 1 18 18 ILE CA C 13 66.041 0.400 . 1 . . . . A 439 ILE CA . 34814 1 220 . 1 . 1 18 18 ILE CB C 13 37.812 0.400 . 1 . . . . A 439 ILE CB . 34814 1 221 . 1 . 1 18 18 ILE CG1 C 13 29.855 0.400 . 1 . . . . A 439 ILE CG1 . 34814 1 222 . 1 . 1 18 18 ILE CG2 C 13 17.610 0.400 . 1 . . . . A 439 ILE CG2 . 34814 1 223 . 1 . 1 18 18 ILE CD1 C 13 13.304 0.400 . 1 . . . . A 439 ILE CD1 . 34814 1 224 . 1 . 1 18 18 ILE N N 15 118.881 0.400 . 1 . . . . A 439 ILE N . 34814 1 225 . 1 . 1 19 19 ALA H H 1 8.842 0.020 . 1 . . . . A 440 ALA H . 34814 1 226 . 1 . 1 19 19 ALA HA H 1 3.875 0.020 . 1 . . . . A 440 ALA HA . 34814 1 227 . 1 . 1 19 19 ALA HB1 H 1 1.448 0.020 . 1 . . . . A 440 ALA HB1 . 34814 1 228 . 1 . 1 19 19 ALA HB2 H 1 1.448 0.020 . 1 . . . . A 440 ALA HB2 . 34814 1 229 . 1 . 1 19 19 ALA HB3 H 1 1.448 0.020 . 1 . . . . A 440 ALA HB3 . 34814 1 230 . 1 . 1 19 19 ALA C C 13 179.336 0.400 . 1 . . . . A 440 ALA C . 34814 1 231 . 1 . 1 19 19 ALA CA C 13 55.774 0.400 . 1 . . . . A 440 ALA CA . 34814 1 232 . 1 . 1 19 19 ALA CB C 13 18.335 0.400 . 1 . . . . A 440 ALA CB . 34814 1 233 . 1 . 1 19 19 ALA N N 15 120.148 0.400 . 1 . . . . A 440 ALA N . 34814 1 234 . 1 . 1 20 20 SER H H 1 8.178 0.020 . 1 . . . . A 441 SER H . 34814 1 235 . 1 . 1 20 20 SER HA H 1 4.110 0.020 . 1 . . . . A 441 SER HA . 34814 1 236 . 1 . 1 20 20 SER HB2 H 1 4.120 0.020 . 2 . . . . A 441 SER HB2 . 34814 1 237 . 1 . 1 20 20 SER HB3 H 1 3.689 0.020 . 2 . . . . A 441 SER HB3 . 34814 1 238 . 1 . 1 20 20 SER C C 13 175.614 0.400 . 1 . . . . A 441 SER C . 34814 1 239 . 1 . 1 20 20 SER CA C 13 63.399 0.400 . 1 . . . . A 441 SER CA . 34814 1 240 . 1 . 1 20 20 SER CB C 13 63.151 0.400 . 1 . . . . A 441 SER CB . 34814 1 241 . 1 . 1 20 20 SER N N 15 113.633 0.400 . 1 . . . . A 441 SER N . 34814 1 242 . 1 . 1 21 21 VAL H H 1 8.189 0.020 . 1 . . . . A 442 VAL H . 34814 1 243 . 1 . 1 21 21 VAL HA H 1 3.700 0.020 . 1 . . . . A 442 VAL HA . 34814 1 244 . 1 . 1 21 21 VAL HB H 1 2.271 0.020 . 1 . . . . A 442 VAL HB . 34814 1 245 . 1 . 1 21 21 VAL HG11 H 1 0.923 0.020 . 2 . . . . A 442 VAL HG11 . 34814 1 246 . 1 . 1 21 21 VAL HG12 H 1 0.923 0.020 . 2 . . . . A 442 VAL HG12 . 34814 1 247 . 1 . 1 21 21 VAL HG13 H 1 0.923 0.020 . 2 . . . . A 442 VAL HG13 . 34814 1 248 . 1 . 1 21 21 VAL HG21 H 1 1.052 0.020 . 2 . . . . A 442 VAL HG21 . 34814 1 249 . 1 . 1 21 21 VAL HG22 H 1 1.052 0.020 . 2 . . . . A 442 VAL HG22 . 34814 1 250 . 1 . 1 21 21 VAL HG23 H 1 1.052 0.020 . 2 . . . . A 442 VAL HG23 . 34814 1 251 . 1 . 1 21 21 VAL C C 13 178.382 0.400 . 1 . . . . A 442 VAL C . 34814 1 252 . 1 . 1 21 21 VAL CA C 13 67.309 0.400 . 1 . . . . A 442 VAL CA . 34814 1 253 . 1 . 1 21 21 VAL CB C 13 31.774 0.400 . 1 . . . . A 442 VAL CB . 34814 1 254 . 1 . 1 21 21 VAL CG1 C 13 21.825 0.400 . 2 . . . . A 442 VAL CG1 . 34814 1 255 . 1 . 1 21 21 VAL CG2 C 13 23.220 0.400 . 2 . . . . A 442 VAL CG2 . 34814 1 256 . 1 . 1 21 21 VAL N N 15 121.774 0.400 . 1 . . . . A 442 VAL N . 34814 1 257 . 1 . 1 22 22 VAL H H 1 8.544 0.020 . 1 . . . . A 443 VAL H . 34814 1 258 . 1 . 1 22 22 VAL HA H 1 3.521 0.020 . 1 . . . . A 443 VAL HA . 34814 1 259 . 1 . 1 22 22 VAL HB H 1 2.221 0.020 . 1 . . . . A 443 VAL HB . 34814 1 260 . 1 . 1 22 22 VAL HG11 H 1 0.900 0.020 . 2 . . . . A 443 VAL HG11 . 34814 1 261 . 1 . 1 22 22 VAL HG12 H 1 0.900 0.020 . 2 . . . . A 443 VAL HG12 . 34814 1 262 . 1 . 1 22 22 VAL HG13 H 1 0.900 0.020 . 2 . . . . A 443 VAL HG13 . 34814 1 263 . 1 . 1 22 22 VAL HG21 H 1 1.059 0.020 . 2 . . . . A 443 VAL HG21 . 34814 1 264 . 1 . 1 22 22 VAL HG22 H 1 1.059 0.020 . 2 . . . . A 443 VAL HG22 . 34814 1 265 . 1 . 1 22 22 VAL HG23 H 1 1.059 0.020 . 2 . . . . A 443 VAL HG23 . 34814 1 266 . 1 . 1 22 22 VAL C C 13 177.926 0.400 . 1 . . . . A 443 VAL C . 34814 1 267 . 1 . 1 22 22 VAL CA C 13 67.769 0.400 . 1 . . . . A 443 VAL CA . 34814 1 268 . 1 . 1 22 22 VAL CB C 13 31.314 0.400 . 1 . . . . A 443 VAL CB . 34814 1 269 . 1 . 1 22 22 VAL CG1 C 13 21.653 0.400 . 2 . . . . A 443 VAL CG1 . 34814 1 270 . 1 . 1 22 22 VAL CG2 C 13 23.441 0.400 . 2 . . . . A 443 VAL CG2 . 34814 1 271 . 1 . 1 22 22 VAL N N 15 119.943 0.400 . 1 . . . . A 443 VAL N . 34814 1 272 . 1 . 1 23 23 GLY H H 1 8.811 0.020 . 1 . . . . A 444 GLY H . 34814 1 273 . 1 . 1 23 23 GLY HA2 H 1 3.795 0.020 . 2 . . . . A 444 GLY HA2 . 34814 1 274 . 1 . 1 23 23 GLY HA3 H 1 3.623 0.020 . 2 . . . . A 444 GLY HA3 . 34814 1 275 . 1 . 1 23 23 GLY C C 13 174.557 0.400 . 1 . . . . A 444 GLY C . 34814 1 276 . 1 . 1 23 23 GLY CA C 13 47.849 0.400 . 1 . . . . A 444 GLY CA . 34814 1 277 . 1 . 1 23 23 GLY N N 15 106.577 0.400 . 1 . . . . A 444 GLY N . 34814 1 278 . 1 . 1 24 24 PHE H H 1 8.618 0.020 . 1 . . . . A 445 PHE H . 34814 1 279 . 1 . 1 24 24 PHE HA H 1 4.176 0.020 . 1 . . . . A 445 PHE HA . 34814 1 280 . 1 . 1 24 24 PHE HB2 H 1 3.280 0.020 . 2 . . . . A 445 PHE HB2 . 34814 1 281 . 1 . 1 24 24 PHE HB3 H 1 3.280 0.020 . 2 . . . . A 445 PHE HB3 . 34814 1 282 . 1 . 1 24 24 PHE HD1 H 1 7.127 0.020 . 1 . . . . A 445 PHE HD1 . 34814 1 283 . 1 . 1 24 24 PHE HD2 H 1 7.127 0.020 . 1 . . . . A 445 PHE HD2 . 34814 1 284 . 1 . 1 24 24 PHE HE1 H 1 7.045 0.020 . 1 . . . . A 445 PHE HE1 . 34814 1 285 . 1 . 1 24 24 PHE HE2 H 1 7.045 0.020 . 1 . . . . A 445 PHE HE2 . 34814 1 286 . 1 . 1 24 24 PHE HZ H 1 6.959 0.020 . 1 . . . . A 445 PHE HZ . 34814 1 287 . 1 . 1 24 24 PHE C C 13 176.869 0.400 . 1 . . . . A 445 PHE C . 34814 1 288 . 1 . 1 24 24 PHE CA C 13 62.203 0.400 . 1 . . . . A 445 PHE CA . 34814 1 289 . 1 . 1 24 24 PHE CB C 13 39.485 0.400 . 1 . . . . A 445 PHE CB . 34814 1 290 . 1 . 1 24 24 PHE CZ C 13 128.666 0.400 . 1 . . . . A 445 PHE CZ . 34814 1 291 . 1 . 1 24 24 PHE N N 15 121.080 0.400 . 1 . . . . A 445 PHE N . 34814 1 292 . 1 . 1 25 25 CYS H H 1 8.324 0.020 . 1 . . . . A 446 CYS H . 34814 1 293 . 1 . 1 25 25 CYS HA H 1 3.862 0.020 . 1 . . . . A 446 CYS HA . 34814 1 294 . 1 . 1 25 25 CYS HB2 H 1 3.243 0.020 . 2 . . . . A 446 CYS HB2 . 34814 1 295 . 1 . 1 25 25 CYS HB3 H 1 2.586 0.020 . 2 . . . . A 446 CYS HB3 . 34814 1 296 . 1 . 1 25 25 CYS HG H 1 2.842 0.020 . 1 . . . . A 446 CYS HG . 34814 1 297 . 1 . 1 25 25 CYS C C 13 176.682 0.400 . 1 . . . . A 446 CYS C . 34814 1 298 . 1 . 1 25 25 CYS CA C 13 64.845 0.400 . 1 . . . . A 446 CYS CA . 34814 1 299 . 1 . 1 25 25 CYS CB C 13 26.950 0.400 . 1 . . . . A 446 CYS CB . 34814 1 300 . 1 . 1 25 25 CYS N N 15 116.241 0.400 . 1 . . . . A 446 CYS N . 34814 1 301 . 1 . 1 26 26 LEU H H 1 8.352 0.020 . 1 . . . . A 447 LEU H . 34814 1 302 . 1 . 1 26 26 LEU HA H 1 4.016 0.020 . 1 . . . . A 447 LEU HA . 34814 1 303 . 1 . 1 26 26 LEU HB2 H 1 1.909 0.020 . 2 . . . . A 447 LEU HB2 . 34814 1 304 . 1 . 1 26 26 LEU HB3 H 1 1.580 0.020 . 2 . . . . A 447 LEU HB3 . 34814 1 305 . 1 . 1 26 26 LEU HG H 1 1.852 0.020 . 1 . . . . A 447 LEU HG . 34814 1 306 . 1 . 1 26 26 LEU HD11 H 1 0.855 0.020 . 2 . . . . A 447 LEU HD11 . 34814 1 307 . 1 . 1 26 26 LEU HD12 H 1 0.855 0.020 . 2 . . . . A 447 LEU HD12 . 34814 1 308 . 1 . 1 26 26 LEU HD13 H 1 0.855 0.020 . 2 . . . . A 447 LEU HD13 . 34814 1 309 . 1 . 1 26 26 LEU HD21 H 1 0.856 0.020 . 2 . . . . A 447 LEU HD21 . 34814 1 310 . 1 . 1 26 26 LEU HD22 H 1 0.856 0.020 . 2 . . . . A 447 LEU HD22 . 34814 1 311 . 1 . 1 26 26 LEU HD23 H 1 0.856 0.020 . 2 . . . . A 447 LEU HD23 . 34814 1 312 . 1 . 1 26 26 LEU C C 13 178.082 0.400 . 1 . . . . A 447 LEU C . 34814 1 313 . 1 . 1 26 26 LEU CA C 13 58.262 0.400 . 1 . . . . A 447 LEU CA . 34814 1 314 . 1 . 1 26 26 LEU CB C 13 41.770 0.400 . 1 . . . . A 447 LEU CB . 34814 1 315 . 1 . 1 26 26 LEU CG C 13 27.176 0.400 . 1 . . . . A 447 LEU CG . 34814 1 316 . 1 . 1 26 26 LEU CD1 C 13 25.287 0.400 . 2 . . . . A 447 LEU CD1 . 34814 1 317 . 1 . 1 26 26 LEU CD2 C 13 23.793 0.400 . 2 . . . . A 447 LEU CD2 . 34814 1 318 . 1 . 1 26 26 LEU N N 15 118.803 0.400 . 1 . . . . A 447 LEU N . 34814 1 319 . 1 . 1 27 27 LEU H H 1 8.059 0.020 . 1 . . . . A 448 LEU H . 34814 1 320 . 1 . 1 27 27 LEU HA H 1 3.961 0.020 . 1 . . . . A 448 LEU HA . 34814 1 321 . 1 . 1 27 27 LEU HB2 H 1 1.837 0.020 . 2 . . . . A 448 LEU HB2 . 34814 1 322 . 1 . 1 27 27 LEU HB3 H 1 1.570 0.020 . 2 . . . . A 448 LEU HB3 . 34814 1 323 . 1 . 1 27 27 LEU HG H 1 1.792 0.020 . 1 . . . . A 448 LEU HG . 34814 1 324 . 1 . 1 27 27 LEU HD11 H 1 0.861 0.020 . 2 . . . . A 448 LEU HD11 . 34814 1 325 . 1 . 1 27 27 LEU HD12 H 1 0.861 0.020 . 2 . . . . A 448 LEU HD12 . 34814 1 326 . 1 . 1 27 27 LEU HD13 H 1 0.861 0.020 . 2 . . . . A 448 LEU HD13 . 34814 1 327 . 1 . 1 27 27 LEU HD21 H 1 0.829 0.020 . 2 . . . . A 448 LEU HD21 . 34814 1 328 . 1 . 1 27 27 LEU HD22 H 1 0.829 0.020 . 2 . . . . A 448 LEU HD22 . 34814 1 329 . 1 . 1 27 27 LEU HD23 H 1 0.829 0.020 . 2 . . . . A 448 LEU HD23 . 34814 1 330 . 1 . 1 27 27 LEU C C 13 178.496 0.400 . 1 . . . . A 448 LEU C . 34814 1 331 . 1 . 1 27 27 LEU CA C 13 58.517 0.400 . 1 . . . . A 448 LEU CA . 34814 1 332 . 1 . 1 27 27 LEU CB C 13 41.703 0.400 . 1 . . . . A 448 LEU CB . 34814 1 333 . 1 . 1 27 27 LEU CG C 13 26.830 0.400 . 1 . . . . A 448 LEU CG . 34814 1 334 . 1 . 1 27 27 LEU CD1 C 13 25.225 0.400 . 2 . . . . A 448 LEU CD1 . 34814 1 335 . 1 . 1 27 27 LEU CD2 C 13 24.107 0.400 . 2 . . . . A 448 LEU CD2 . 34814 1 336 . 1 . 1 27 27 LEU N N 15 118.847 0.400 . 1 . . . . A 448 LEU N . 34814 1 337 . 1 . 1 28 28 VAL H H 1 8.077 0.020 . 1 . . . . A 449 VAL H . 34814 1 338 . 1 . 1 28 28 VAL HA H 1 3.444 0.020 . 1 . . . . A 449 VAL HA . 34814 1 339 . 1 . 1 28 28 VAL HB H 1 2.045 0.020 . 1 . . . . A 449 VAL HB . 34814 1 340 . 1 . 1 28 28 VAL HG11 H 1 0.846 0.020 . 2 . . . . A 449 VAL HG11 . 34814 1 341 . 1 . 1 28 28 VAL HG12 H 1 0.846 0.020 . 2 . . . . A 449 VAL HG12 . 34814 1 342 . 1 . 1 28 28 VAL HG13 H 1 0.846 0.020 . 2 . . . . A 449 VAL HG13 . 34814 1 343 . 1 . 1 28 28 VAL HG21 H 1 0.574 0.020 . 2 . . . . A 449 VAL HG21 . 34814 1 344 . 1 . 1 28 28 VAL HG22 H 1 0.574 0.020 . 2 . . . . A 449 VAL HG22 . 34814 1 345 . 1 . 1 28 28 VAL HG23 H 1 0.574 0.020 . 2 . . . . A 449 VAL HG23 . 34814 1 346 . 1 . 1 28 28 VAL C C 13 177.791 0.400 . 1 . . . . A 449 VAL C . 34814 1 347 . 1 . 1 28 28 VAL CA C 13 67.371 0.400 . 1 . . . . A 449 VAL CA . 34814 1 348 . 1 . 1 28 28 VAL CB C 13 31.228 0.400 . 1 . . . . A 449 VAL CB . 34814 1 349 . 1 . 1 28 28 VAL CG1 C 13 21.740 0.400 . 2 . . . . A 449 VAL CG1 . 34814 1 350 . 1 . 1 28 28 VAL CG2 C 13 23.382 0.400 . 2 . . . . A 449 VAL CG2 . 34814 1 351 . 1 . 1 28 28 VAL N N 15 117.699 0.400 . 1 . . . . A 449 VAL N . 34814 1 352 . 1 . 1 29 29 MET H H 1 8.156 0.020 . 1 . . . . A 450 MET H . 34814 1 353 . 1 . 1 29 29 MET HA H 1 4.039 0.020 . 1 . . . . A 450 MET HA . 34814 1 354 . 1 . 1 29 29 MET HB2 H 1 2.098 0.020 . 2 . . . . A 450 MET HB2 . 34814 1 355 . 1 . 1 29 29 MET HB3 H 1 2.283 0.020 . 2 . . . . A 450 MET HB3 . 34814 1 356 . 1 . 1 29 29 MET HG2 H 1 2.680 0.020 . 2 . . . . A 450 MET HG2 . 34814 1 357 . 1 . 1 29 29 MET HG3 H 1 2.467 0.020 . 2 . . . . A 450 MET HG3 . 34814 1 358 . 1 . 1 29 29 MET C C 13 177.688 0.400 . 1 . . . . A 450 MET C . 34814 1 359 . 1 . 1 29 29 MET CA C 13 59.548 0.400 . 1 . . . . A 450 MET CA . 34814 1 360 . 1 . 1 29 29 MET CB C 13 32.596 0.400 . 1 . . . . A 450 MET CB . 34814 1 361 . 1 . 1 29 29 MET CG C 13 32.993 0.400 . 1 . . . . A 450 MET CG . 34814 1 362 . 1 . 1 29 29 MET N N 15 117.704 0.400 . 1 . . . . A 450 MET N . 34814 1 363 . 1 . 1 30 30 LEU H H 1 8.379 0.020 . 1 . . . . A 451 LEU H . 34814 1 364 . 1 . 1 30 30 LEU HA H 1 4.032 0.020 . 1 . . . . A 451 LEU HA . 34814 1 365 . 1 . 1 30 30 LEU HB2 H 1 1.850 0.020 . 2 . . . . A 451 LEU HB2 . 34814 1 366 . 1 . 1 30 30 LEU HB3 H 1 1.597 0.020 . 2 . . . . A 451 LEU HB3 . 34814 1 367 . 1 . 1 30 30 LEU HG H 1 1.877 0.020 . 1 . . . . A 451 LEU HG . 34814 1 368 . 1 . 1 30 30 LEU HD11 H 1 0.835 0.020 . 2 . . . . A 451 LEU HD11 . 34814 1 369 . 1 . 1 30 30 LEU HD12 H 1 0.835 0.020 . 2 . . . . A 451 LEU HD12 . 34814 1 370 . 1 . 1 30 30 LEU HD13 H 1 0.835 0.020 . 2 . . . . A 451 LEU HD13 . 34814 1 371 . 1 . 1 30 30 LEU HD21 H 1 0.881 0.020 . 2 . . . . A 451 LEU HD21 . 34814 1 372 . 1 . 1 30 30 LEU HD22 H 1 0.881 0.020 . 2 . . . . A 451 LEU HD22 . 34814 1 373 . 1 . 1 30 30 LEU HD23 H 1 0.881 0.020 . 2 . . . . A 451 LEU HD23 . 34814 1 374 . 1 . 1 30 30 LEU C C 13 178.662 0.400 . 1 . . . . A 451 LEU C . 34814 1 375 . 1 . 1 30 30 LEU CA C 13 58.395 0.400 . 1 . . . . A 451 LEU CA . 34814 1 376 . 1 . 1 30 30 LEU CB C 13 41.713 0.400 . 1 . . . . A 451 LEU CB . 34814 1 377 . 1 . 1 30 30 LEU CG C 13 27.002 0.400 . 1 . . . . A 451 LEU CG . 34814 1 378 . 1 . 1 30 30 LEU CD1 C 13 24.077 0.400 . 2 . . . . A 451 LEU CD1 . 34814 1 379 . 1 . 1 30 30 LEU CD2 C 13 25.274 0.400 . 2 . . . . A 451 LEU CD2 . 34814 1 380 . 1 . 1 30 30 LEU N N 15 118.320 0.400 . 1 . . . . A 451 LEU N . 34814 1 381 . 1 . 1 31 31 PHE H H 1 8.295 0.020 . 1 . . . . A 452 PHE H . 34814 1 382 . 1 . 1 31 31 PHE HA H 1 4.225 0.020 . 1 . . . . A 452 PHE HA . 34814 1 383 . 1 . 1 31 31 PHE HB2 H 1 3.268 0.020 . 2 . . . . A 452 PHE HB2 . 34814 1 384 . 1 . 1 31 31 PHE HB3 H 1 3.196 0.020 . 2 . . . . A 452 PHE HB3 . 34814 1 385 . 1 . 1 31 31 PHE HD1 H 1 7.173 0.020 . 1 . . . . A 452 PHE HD1 . 34814 1 386 . 1 . 1 31 31 PHE HD2 H 1 7.173 0.020 . 1 . . . . A 452 PHE HD2 . 34814 1 387 . 1 . 1 31 31 PHE HE1 H 1 7.184 0.020 . 1 . . . . A 452 PHE HE1 . 34814 1 388 . 1 . 1 31 31 PHE HE2 H 1 7.184 0.020 . 1 . . . . A 452 PHE HE2 . 34814 1 389 . 1 . 1 31 31 PHE HZ H 1 7.167 0.020 . 1 . . . . A 452 PHE HZ . 34814 1 390 . 1 . 1 31 31 PHE C C 13 177.294 0.400 . 1 . . . . A 452 PHE C . 34814 1 391 . 1 . 1 31 31 PHE CA C 13 61.467 0.400 . 1 . . . . A 452 PHE CA . 34814 1 392 . 1 . 1 31 31 PHE CB C 13 39.227 0.400 . 1 . . . . A 452 PHE CB . 34814 1 393 . 1 . 1 31 31 PHE CZ C 13 129.195 0.400 . 1 . . . . A 452 PHE CZ . 34814 1 394 . 1 . 1 31 31 PHE N N 15 118.849 0.400 . 1 . . . . A 452 PHE N . 34814 1 395 . 1 . 1 32 32 LEU H H 1 8.522 0.020 . 1 . . . . A 453 LEU H . 34814 1 396 . 1 . 1 32 32 LEU HA H 1 3.926 0.020 . 1 . . . . A 453 LEU HA . 34814 1 397 . 1 . 1 32 32 LEU HB2 H 1 2.054 0.020 . 2 . . . . A 453 LEU HB2 . 34814 1 398 . 1 . 1 32 32 LEU HB3 H 1 1.417 0.020 . 2 . . . . A 453 LEU HB3 . 34814 1 399 . 1 . 1 32 32 LEU HG H 1 2.074 0.020 . 1 . . . . A 453 LEU HG . 34814 1 400 . 1 . 1 32 32 LEU HD11 H 1 0.876 0.020 . 2 . . . . A 453 LEU HD11 . 34814 1 401 . 1 . 1 32 32 LEU HD12 H 1 0.876 0.020 . 2 . . . . A 453 LEU HD12 . 34814 1 402 . 1 . 1 32 32 LEU HD13 H 1 0.876 0.020 . 2 . . . . A 453 LEU HD13 . 34814 1 403 . 1 . 1 32 32 LEU HD21 H 1 0.863 0.020 . 2 . . . . A 453 LEU HD21 . 34814 1 404 . 1 . 1 32 32 LEU HD22 H 1 0.863 0.020 . 2 . . . . A 453 LEU HD22 . 34814 1 405 . 1 . 1 32 32 LEU HD23 H 1 0.863 0.020 . 2 . . . . A 453 LEU HD23 . 34814 1 406 . 1 . 1 32 32 LEU C C 13 178.776 0.400 . 1 . . . . A 453 LEU C . 34814 1 407 . 1 . 1 32 32 LEU CA C 13 58.200 0.400 . 1 . . . . A 453 LEU CA . 34814 1 408 . 1 . 1 32 32 LEU CB C 13 41.737 0.400 . 1 . . . . A 453 LEU CB . 34814 1 409 . 1 . 1 32 32 LEU CG C 13 26.835 0.400 . 1 . . . . A 453 LEU CG . 34814 1 410 . 1 . 1 32 32 LEU CD1 C 13 26.040 0.400 . 2 . . . . A 453 LEU CD1 . 34814 1 411 . 1 . 1 32 32 LEU CD2 C 13 23.014 0.400 . 2 . . . . A 453 LEU CD2 . 34814 1 412 . 1 . 1 32 32 LEU N N 15 118.472 0.400 . 1 . . . . A 453 LEU N . 34814 1 413 . 1 . 1 33 33 LEU H H 1 8.318 0.020 . 1 . . . . A 454 LEU H . 34814 1 414 . 1 . 1 33 33 LEU HA H 1 4.013 0.020 . 1 . . . . A 454 LEU HA . 34814 1 415 . 1 . 1 33 33 LEU HB2 H 1 1.915 0.020 . 2 . . . . A 454 LEU HB2 . 34814 1 416 . 1 . 1 33 33 LEU HB3 H 1 1.658 0.020 . 2 . . . . A 454 LEU HB3 . 34814 1 417 . 1 . 1 33 33 LEU HG H 1 1.849 0.020 . 1 . . . . A 454 LEU HG . 34814 1 418 . 1 . 1 33 33 LEU HD11 H 1 0.906 0.020 . 2 . . . . A 454 LEU HD11 . 34814 1 419 . 1 . 1 33 33 LEU HD12 H 1 0.906 0.020 . 2 . . . . A 454 LEU HD12 . 34814 1 420 . 1 . 1 33 33 LEU HD13 H 1 0.906 0.020 . 2 . . . . A 454 LEU HD13 . 34814 1 421 . 1 . 1 33 33 LEU HD21 H 1 0.883 0.020 . 2 . . . . A 454 LEU HD21 . 34814 1 422 . 1 . 1 33 33 LEU HD22 H 1 0.883 0.020 . 2 . . . . A 454 LEU HD22 . 34814 1 423 . 1 . 1 33 33 LEU HD23 H 1 0.883 0.020 . 2 . . . . A 454 LEU HD23 . 34814 1 424 . 1 . 1 33 33 LEU C C 13 178.849 0.400 . 1 . . . . A 454 LEU C . 34814 1 425 . 1 . 1 33 33 LEU CA C 13 58.175 0.400 . 1 . . . . A 454 LEU CA . 34814 1 426 . 1 . 1 33 33 LEU CB C 13 41.846 0.400 . 1 . . . . A 454 LEU CB . 34814 1 427 . 1 . 1 33 33 LEU CG C 13 27.005 0.400 . 1 . . . . A 454 LEU CG . 34814 1 428 . 1 . 1 33 33 LEU CD1 C 13 25.266 0.400 . 2 . . . . A 454 LEU CD1 . 34814 1 429 . 1 . 1 33 33 LEU CD2 C 13 24.083 0.400 . 2 . . . . A 454 LEU CD2 . 34814 1 430 . 1 . 1 33 33 LEU N N 15 118.699 0.400 . 1 . . . . A 454 LEU N . 34814 1 431 . 1 . 1 34 34 LYS H H 1 7.942 0.020 . 1 . . . . A 455 LYS H . 34814 1 432 . 1 . 1 34 34 LYS HA H 1 4.037 0.020 . 1 . . . . A 455 LYS HA . 34814 1 433 . 1 . 1 34 34 LYS HB2 H 1 2.009 0.020 . 2 . . . . A 455 LYS HB2 . 34814 1 434 . 1 . 1 34 34 LYS HB3 H 1 1.945 0.020 . 2 . . . . A 455 LYS HB3 . 34814 1 435 . 1 . 1 34 34 LYS HG2 H 1 1.528 0.020 . 2 . . . . A 455 LYS HG2 . 34814 1 436 . 1 . 1 34 34 LYS HG3 H 1 1.487 0.020 . 2 . . . . A 455 LYS HG3 . 34814 1 437 . 1 . 1 34 34 LYS HD2 H 1 1.748 0.020 . 2 . . . . A 455 LYS HD2 . 34814 1 438 . 1 . 1 34 34 LYS HD3 H 1 1.675 0.020 . 2 . . . . A 455 LYS HD3 . 34814 1 439 . 1 . 1 34 34 LYS HE2 H 1 2.955 0.020 . 2 . . . . A 455 LYS HE2 . 34814 1 440 . 1 . 1 34 34 LYS HE3 H 1 2.955 0.020 . 2 . . . . A 455 LYS HE3 . 34814 1 441 . 1 . 1 34 34 LYS C C 13 179.098 0.400 . 1 . . . . A 455 LYS C . 34814 1 442 . 1 . 1 34 34 LYS CA C 13 59.083 0.400 . 1 . . . . A 455 LYS CA . 34814 1 443 . 1 . 1 34 34 LYS CB C 13 32.111 0.400 . 1 . . . . A 455 LYS CB . 34814 1 444 . 1 . 1 34 34 LYS CG C 13 25.239 0.400 . 1 . . . . A 455 LYS CG . 34814 1 445 . 1 . 1 34 34 LYS CD C 13 29.338 0.400 . 1 . . . . A 455 LYS CD . 34814 1 446 . 1 . 1 34 34 LYS CE C 13 42.048 0.400 . 1 . . . . A 455 LYS CE . 34814 1 447 . 1 . 1 34 34 LYS N N 15 118.880 0.400 . 1 . . . . A 455 LYS N . 34814 1 448 . 1 . 1 35 35 LEU H H 1 8.114 0.020 . 1 . . . . A 456 LEU H . 34814 1 449 . 1 . 1 35 35 LEU HA H 1 4.044 0.020 . 1 . . . . A 456 LEU HA . 34814 1 450 . 1 . 1 35 35 LEU HB2 H 1 1.548 0.020 . 2 . . . . A 456 LEU HB2 . 34814 1 451 . 1 . 1 35 35 LEU HB3 H 1 1.676 0.020 . 2 . . . . A 456 LEU HB3 . 34814 1 452 . 1 . 1 35 35 LEU HG H 1 1.597 0.020 . 1 . . . . A 456 LEU HG . 34814 1 453 . 1 . 1 35 35 LEU HD11 H 1 0.762 0.020 . 2 . . . . A 456 LEU HD11 . 34814 1 454 . 1 . 1 35 35 LEU HD12 H 1 0.762 0.020 . 2 . . . . A 456 LEU HD12 . 34814 1 455 . 1 . 1 35 35 LEU HD13 H 1 0.762 0.020 . 2 . . . . A 456 LEU HD13 . 34814 1 456 . 1 . 1 35 35 LEU HD21 H 1 0.794 0.020 . 2 . . . . A 456 LEU HD21 . 34814 1 457 . 1 . 1 35 35 LEU HD22 H 1 0.794 0.020 . 2 . . . . A 456 LEU HD22 . 34814 1 458 . 1 . 1 35 35 LEU HD23 H 1 0.794 0.020 . 2 . . . . A 456 LEU HD23 . 34814 1 459 . 1 . 1 35 35 LEU C C 13 179.098 0.400 . 1 . . . . A 456 LEU C . 34814 1 460 . 1 . 1 35 35 LEU CA C 13 57.613 0.400 . 1 . . . . A 456 LEU CA . 34814 1 461 . 1 . 1 35 35 LEU CB C 13 42.062 0.400 . 1 . . . . A 456 LEU CB . 34814 1 462 . 1 . 1 35 35 LEU CG C 13 26.785 0.400 . 1 . . . . A 456 LEU CG . 34814 1 463 . 1 . 1 35 35 LEU CD1 C 13 25.121 0.400 . 2 . . . . A 456 LEU CD1 . 34814 1 464 . 1 . 1 35 35 LEU CD2 C 13 24.065 0.400 . 2 . . . . A 456 LEU CD2 . 34814 1 465 . 1 . 1 35 35 LEU N N 15 119.467 0.400 . 1 . . . . A 456 LEU N . 34814 1 466 . 1 . 1 36 36 ALA H H 1 8.311 0.020 . 1 . . . . A 457 ALA H . 34814 1 467 . 1 . 1 36 36 ALA HA H 1 4.081 0.020 . 1 . . . . A 457 ALA HA . 34814 1 468 . 1 . 1 36 36 ALA HB1 H 1 1.496 0.020 . 1 . . . . A 457 ALA HB1 . 34814 1 469 . 1 . 1 36 36 ALA HB2 H 1 1.496 0.020 . 1 . . . . A 457 ALA HB2 . 34814 1 470 . 1 . 1 36 36 ALA HB3 H 1 1.496 0.020 . 1 . . . . A 457 ALA HB3 . 34814 1 471 . 1 . 1 36 36 ALA C C 13 179.056 0.400 . 1 . . . . A 457 ALA C . 34814 1 472 . 1 . 1 36 36 ALA CA C 13 54.510 0.400 . 1 . . . . A 457 ALA CA . 34814 1 473 . 1 . 1 36 36 ALA CB C 13 18.570 0.400 . 1 . . . . A 457 ALA CB . 34814 1 474 . 1 . 1 36 36 ALA N N 15 120.724 0.400 . 1 . . . . A 457 ALA N . 34814 1 475 . 1 . 1 37 37 ARG H H 1 7.852 0.020 . 1 . . . . A 458 ARG H . 34814 1 476 . 1 . 1 37 37 ARG HA H 1 4.166 0.020 . 1 . . . . A 458 ARG HA . 34814 1 477 . 1 . 1 37 37 ARG HB2 H 1 1.924 0.020 . 2 . . . . A 458 ARG HB2 . 34814 1 478 . 1 . 1 37 37 ARG HB3 H 1 1.881 0.020 . 2 . . . . A 458 ARG HB3 . 34814 1 479 . 1 . 1 37 37 ARG HG2 H 1 1.732 0.020 . 2 . . . . A 458 ARG HG2 . 34814 1 480 . 1 . 1 37 37 ARG HG3 H 1 1.664 0.020 . 2 . . . . A 458 ARG HG3 . 34814 1 481 . 1 . 1 37 37 ARG HD2 H 1 3.187 0.020 . 2 . . . . A 458 ARG HD2 . 34814 1 482 . 1 . 1 37 37 ARG HD3 H 1 3.187 0.020 . 2 . . . . A 458 ARG HD3 . 34814 1 483 . 1 . 1 37 37 ARG C C 13 177.252 0.400 . 1 . . . . A 458 ARG C . 34814 1 484 . 1 . 1 37 37 ARG CA C 13 57.805 0.400 . 1 . . . . A 458 ARG CA . 34814 1 485 . 1 . 1 37 37 ARG CB C 13 30.326 0.400 . 1 . . . . A 458 ARG CB . 34814 1 486 . 1 . 1 37 37 ARG CG C 13 27.575 0.400 . 1 . . . . A 458 ARG CG . 34814 1 487 . 1 . 1 37 37 ARG CD C 13 43.534 0.400 . 1 . . . . A 458 ARG CD . 34814 1 488 . 1 . 1 37 37 ARG N N 15 116.481 0.400 . 1 . . . . A 458 ARG N . 34814 1 489 . 1 . 1 38 38 HIS H H 1 7.986 0.020 . 1 . . . . A 459 HIS H . 34814 1 490 . 1 . 1 38 38 HIS HA H 1 4.610 0.020 . 1 . . . . A 459 HIS HA . 34814 1 491 . 1 . 1 38 38 HIS HB2 H 1 3.356 0.020 . 2 . . . . A 459 HIS HB2 . 34814 1 492 . 1 . 1 38 38 HIS HB3 H 1 3.194 0.020 . 2 . . . . A 459 HIS HB3 . 34814 1 493 . 1 . 1 38 38 HIS HD2 H 1 7.201 0.020 . 1 . . . . A 459 HIS HD2 . 34814 1 494 . 1 . 1 38 38 HIS HE1 H 1 8.382 0.020 . 1 . . . . A 459 HIS HE1 . 34814 1 495 . 1 . 1 38 38 HIS C C 13 175.614 0.400 . 1 . . . . A 459 HIS C . 34814 1 496 . 1 . 1 38 38 HIS CA C 13 57.130 0.400 . 1 . . . . A 459 HIS CA . 34814 1 497 . 1 . 1 38 38 HIS CB C 13 30.101 0.400 . 1 . . . . A 459 HIS CB . 34814 1 498 . 1 . 1 38 38 HIS CD2 C 13 120.200 0.400 . 1 . . . . A 459 HIS CD2 . 34814 1 499 . 1 . 1 38 38 HIS CE1 C 13 137.589 0.400 . 1 . . . . A 459 HIS CE1 . 34814 1 500 . 1 . 1 38 38 HIS N N 15 117.869 0.400 . 1 . . . . A 459 HIS N . 34814 1 501 . 1 . 1 39 39 SER H H 1 7.940 0.020 . 1 . . . . A 460 SER H . 34814 1 502 . 1 . 1 39 39 SER HA H 1 4.425 0.020 . 1 . . . . A 460 SER HA . 34814 1 503 . 1 . 1 39 39 SER HB2 H 1 3.926 0.020 . 2 . . . . A 460 SER HB2 . 34814 1 504 . 1 . 1 39 39 SER HB3 H 1 3.877 0.020 . 2 . . . . A 460 SER HB3 . 34814 1 505 . 1 . 1 39 39 SER C C 13 174.588 0.400 . 1 . . . . A 460 SER C . 34814 1 506 . 1 . 1 39 39 SER CA C 13 59.315 0.400 . 1 . . . . A 460 SER CA . 34814 1 507 . 1 . 1 39 39 SER CB C 13 64.358 0.400 . 1 . . . . A 460 SER CB . 34814 1 508 . 1 . 1 39 39 SER N N 15 115.290 0.400 . 1 . . . . A 460 SER N . 34814 1 509 . 1 . 1 40 40 LYS H H 1 8.295 0.020 . 1 . . . . A 461 LYS H . 34814 1 510 . 1 . 1 40 40 LYS HA H 1 4.261 0.020 . 1 . . . . A 461 LYS HA . 34814 1 511 . 1 . 1 40 40 LYS HB2 H 1 1.753 0.020 . 2 . . . . A 461 LYS HB2 . 34814 1 512 . 1 . 1 40 40 LYS HB3 H 1 1.753 0.020 . 2 . . . . A 461 LYS HB3 . 34814 1 513 . 1 . 1 40 40 LYS HG2 H 1 1.304 0.020 . 2 . . . . A 461 LYS HG2 . 34814 1 514 . 1 . 1 40 40 LYS HG3 H 1 1.304 0.020 . 2 . . . . A 461 LYS HG3 . 34814 1 515 . 1 . 1 40 40 LYS HD2 H 1 1.641 0.020 . 2 . . . . A 461 LYS HD2 . 34814 1 516 . 1 . 1 40 40 LYS HD3 H 1 1.641 0.020 . 2 . . . . A 461 LYS HD3 . 34814 1 517 . 1 . 1 40 40 LYS HE2 H 1 2.959 0.020 . 2 . . . . A 461 LYS HE2 . 34814 1 518 . 1 . 1 40 40 LYS HE3 H 1 2.959 0.020 . 2 . . . . A 461 LYS HE3 . 34814 1 519 . 1 . 1 40 40 LYS C C 13 176.558 0.400 . 1 . . . . A 461 LYS C . 34814 1 520 . 1 . 1 40 40 LYS CA C 13 56.851 0.400 . 1 . . . . A 461 LYS CA . 34814 1 521 . 1 . 1 40 40 LYS CB C 13 32.254 0.400 . 1 . . . . A 461 LYS CB . 34814 1 522 . 1 . 1 40 40 LYS CG C 13 24.736 0.400 . 1 . . . . A 461 LYS CG . 34814 1 523 . 1 . 1 40 40 LYS CD C 13 29.072 0.400 . 1 . . . . A 461 LYS CD . 34814 1 524 . 1 . 1 40 40 LYS CE C 13 42.243 0.400 . 1 . . . . A 461 LYS CE . 34814 1 525 . 1 . 1 40 40 LYS N N 15 120.871 0.400 . 1 . . . . A 461 LYS N . 34814 1 526 . 1 . 1 41 41 PHE H H 1 8.089 0.020 . 1 . . . . A 462 PHE H . 34814 1 527 . 1 . 1 41 41 PHE HA H 1 4.552 0.020 . 1 . . . . A 462 PHE HA . 34814 1 528 . 1 . 1 41 41 PHE HB2 H 1 3.206 0.020 . 2 . . . . A 462 PHE HB2 . 34814 1 529 . 1 . 1 41 41 PHE HB3 H 1 3.018 0.020 . 2 . . . . A 462 PHE HB3 . 34814 1 530 . 1 . 1 41 41 PHE HD1 H 1 7.281 0.020 . 1 . . . . A 462 PHE HD1 . 34814 1 531 . 1 . 1 41 41 PHE HD2 H 1 7.281 0.020 . 1 . . . . A 462 PHE HD2 . 34814 1 532 . 1 . 1 41 41 PHE HE1 H 1 7.329 0.020 . 1 . . . . A 462 PHE HE1 . 34814 1 533 . 1 . 1 41 41 PHE HE2 H 1 7.329 0.020 . 1 . . . . A 462 PHE HE2 . 34814 1 534 . 1 . 1 41 41 PHE HZ H 1 7.248 0.020 . 1 . . . . A 462 PHE HZ . 34814 1 535 . 1 . 1 41 41 PHE C C 13 176.018 0.400 . 1 . . . . A 462 PHE C . 34814 1 536 . 1 . 1 41 41 PHE CA C 13 58.361 0.400 . 1 . . . . A 462 PHE CA . 34814 1 537 . 1 . 1 41 41 PHE CB C 13 39.487 0.400 . 1 . . . . A 462 PHE CB . 34814 1 538 . 1 . 1 41 41 PHE CZ C 13 129.490 0.400 . 1 . . . . A 462 PHE CZ . 34814 1 539 . 1 . 1 41 41 PHE N N 15 118.940 0.400 . 1 . . . . A 462 PHE N . 34814 1 540 . 1 . 1 42 42 GLY H H 1 8.143 0.020 . 1 . . . . A 463 GLY H . 34814 1 541 . 1 . 1 42 42 GLY HA2 H 1 3.911 0.020 . 2 . . . . A 463 GLY HA2 . 34814 1 542 . 1 . 1 42 42 GLY HA3 H 1 3.911 0.020 . 2 . . . . A 463 GLY HA3 . 34814 1 543 . 1 . 1 42 42 GLY C C 13 174.100 0.400 . 1 . . . . A 463 GLY C . 34814 1 544 . 1 . 1 42 42 GLY CA C 13 45.565 0.400 . 1 . . . . A 463 GLY CA . 34814 1 545 . 1 . 1 42 42 GLY N N 15 109.066 0.400 . 1 . . . . A 463 GLY N . 34814 1 546 . 1 . 1 43 43 MET H H 1 8.011 0.020 . 1 . . . . A 464 MET H . 34814 1 547 . 1 . 1 43 43 MET HA H 1 4.485 0.020 . 1 . . . . A 464 MET HA . 34814 1 548 . 1 . 1 43 43 MET HB2 H 1 2.018 0.020 . 2 . . . . A 464 MET HB2 . 34814 1 549 . 1 . 1 43 43 MET HB3 H 1 2.150 0.020 . 2 . . . . A 464 MET HB3 . 34814 1 550 . 1 . 1 43 43 MET HG2 H 1 2.609 0.020 . 2 . . . . A 464 MET HG2 . 34814 1 551 . 1 . 1 43 43 MET HG3 H 1 2.546 0.020 . 2 . . . . A 464 MET HG3 . 34814 1 552 . 1 . 1 43 43 MET C C 13 176.081 0.400 . 1 . . . . A 464 MET C . 34814 1 553 . 1 . 1 43 43 MET CA C 13 55.735 0.400 . 1 . . . . A 464 MET CA . 34814 1 554 . 1 . 1 43 43 MET CB C 13 33.221 0.400 . 1 . . . . A 464 MET CB . 34814 1 555 . 1 . 1 43 43 MET CG C 13 32.311 0.400 . 1 . . . . A 464 MET CG . 34814 1 556 . 1 . 1 43 43 MET N N 15 119.174 0.400 . 1 . . . . A 464 MET N . 34814 1 557 . 1 . 1 44 44 LYS H H 1 8.277 0.020 . 1 . . . . A 465 LYS H . 34814 1 558 . 1 . 1 44 44 LYS HA H 1 4.377 0.020 . 1 . . . . A 465 LYS HA . 34814 1 559 . 1 . 1 44 44 LYS HB2 H 1 1.903 0.020 . 2 . . . . A 465 LYS HB2 . 34814 1 560 . 1 . 1 44 44 LYS HB3 H 1 1.789 0.020 . 2 . . . . A 465 LYS HB3 . 34814 1 561 . 1 . 1 44 44 LYS HG2 H 1 1.478 0.020 . 2 . . . . A 465 LYS HG2 . 34814 1 562 . 1 . 1 44 44 LYS HG3 H 1 1.478 0.020 . 2 . . . . A 465 LYS HG3 . 34814 1 563 . 1 . 1 44 44 LYS HD2 H 1 1.703 0.020 . 2 . . . . A 465 LYS HD2 . 34814 1 564 . 1 . 1 44 44 LYS HD3 H 1 1.703 0.020 . 2 . . . . A 465 LYS HD3 . 34814 1 565 . 1 . 1 44 44 LYS HE2 H 1 3.026 0.020 . 2 . . . . A 465 LYS HE2 . 34814 1 566 . 1 . 1 44 44 LYS HE3 H 1 3.026 0.020 . 2 . . . . A 465 LYS HE3 . 34814 1 567 . 1 . 1 44 44 LYS C C 13 175.967 0.400 . 1 . . . . A 465 LYS C . 34814 1 568 . 1 . 1 44 44 LYS CA C 13 56.386 0.400 . 1 . . . . A 465 LYS CA . 34814 1 569 . 1 . 1 44 44 LYS CB C 13 33.276 0.400 . 1 . . . . A 465 LYS CB . 34814 1 570 . 1 . 1 44 44 LYS CG C 13 24.746 0.400 . 1 . . . . A 465 LYS CG . 34814 1 571 . 1 . 1 44 44 LYS CD C 13 29.110 0.400 . 1 . . . . A 465 LYS CD . 34814 1 572 . 1 . 1 44 44 LYS CE C 13 42.285 0.400 . 1 . . . . A 465 LYS CE . 34814 1 573 . 1 . 1 44 44 LYS N N 15 122.130 0.400 . 1 . . . . A 465 LYS N . 34814 1 574 . 1 . 1 45 45 GLY H H 1 7.921 0.020 . 1 . . . . A 466 GLY H . 34814 1 575 . 1 . 1 45 45 GLY HA2 H 1 3.767 0.020 . 2 . . . . A 466 GLY HA2 . 34814 1 576 . 1 . 1 45 45 GLY HA3 H 1 3.767 0.020 . 2 . . . . A 466 GLY HA3 . 34814 1 577 . 1 . 1 45 45 GLY CA C 13 46.274 0.400 . 1 . . . . A 466 GLY CA . 34814 1 578 . 1 . 1 45 45 GLY N N 15 116.205 0.400 . 1 . . . . A 466 GLY N . 34814 1 stop_ save_