data_34040 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34040 _Entry.Title ; N-terminal motif dimerization of EGFR transmembrane domain in bicellar environment ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-09-12 _Entry.Accession_date 2016-09-12 _Entry.Last_release_date 2017-03-27 _Entry.Original_release_date 2017-03-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 P. Bragin P. . . . 34040 2 E. Bocharov E. . . . 34040 3 K. Mineev K. . . . 34040 4 O. Bocharova O. . . . 34040 5 A. Arseniev A. . . . 34040 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Epidermal growth factor receptor' . 34040 'activation mechanism' . 34040 bicelles . 34040 transferase . 34040 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34040 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 190 34040 '15N chemical shifts' 42 34040 '1H chemical shifts' 322 34040 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 . . 2017-06-28 2016-09-12 update BMRB 'update entry citation' 34040 1 . . 2017-03-30 2016-09-12 original author 'original release' 34040 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5LV6 'BMRB Entry Tracking System' 34040 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34040 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1021/acs.biochem.6b01085 _Citation.PubMed_ID 28291355 _Citation.Full_citation . _Citation.Title ; The Conformation of the Epidermal Growth Factor Receptor Transmembrane Domain Dimer Dynamically Adapts to the Local Membrane Environment. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 56 _Citation.Journal_issue 12 _Citation.Journal_ASTM BICHAW _Citation.Journal_ISSN 1520-4995 _Citation.Journal_CSD 0033 _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 1697 _Citation.Page_last 1705 _Citation.Year 2017 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 E. Bocharov E. V. . . 34040 1 2 P. Bragin P. E. . . 34040 1 3 K. Pavlov K. V. . . 34040 1 4 O. Bocharova O. V. . . 34040 1 5 K. Mineev K. S. . . 34040 1 6 A. Polyansky A. A. . . 34040 1 7 P. Volynsky P. E. . . 34040 1 8 R. Efremov R. G. . . 34040 1 9 A. Arseniev A. S. . . 34040 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34040 _Assembly.ID 1 _Assembly.Name 'Epidermal growth factor 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 'entity_1, 1' 1 $entity_1 A A yes . . . . . . 34040 1 2 'entity_1, 2' 1 $entity_1 B B yes . . . . . . 34040 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34040 _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 ; EGCPTNGPKIPSIATGMVGA LLLLLVVALGIGLFMRRRHI VRKR ; _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 44 _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 4733.849 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Proto-oncogene c-ErbB-1' na 34040 1 'Receptor tyrosine-protein kinase erbB-1' na 34040 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 1 634 GLU . 34040 1 2 635 GLY . 34040 1 3 636 CYS . 34040 1 4 637 PRO . 34040 1 5 638 THR . 34040 1 6 639 ASN . 34040 1 7 640 GLY . 34040 1 8 641 PRO . 34040 1 9 642 LYS . 34040 1 10 643 ILE . 34040 1 11 644 PRO . 34040 1 12 645 SER . 34040 1 13 646 ILE . 34040 1 14 647 ALA . 34040 1 15 648 THR . 34040 1 16 649 GLY . 34040 1 17 650 MET . 34040 1 18 651 VAL . 34040 1 19 652 GLY . 34040 1 20 653 ALA . 34040 1 21 654 LEU . 34040 1 22 655 LEU . 34040 1 23 656 LEU . 34040 1 24 657 LEU . 34040 1 25 658 LEU . 34040 1 26 659 VAL . 34040 1 27 660 VAL . 34040 1 28 661 ALA . 34040 1 29 662 LEU . 34040 1 30 663 GLY . 34040 1 31 664 ILE . 34040 1 32 665 GLY . 34040 1 33 666 LEU . 34040 1 34 667 PHE . 34040 1 35 668 MET . 34040 1 36 669 ARG . 34040 1 37 670 ARG . 34040 1 38 671 ARG . 34040 1 39 672 HIS . 34040 1 40 673 ILE . 34040 1 41 674 VAL . 34040 1 42 675 ARG . 34040 1 43 676 LYS . 34040 1 44 677 ARG . 34040 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 . GLU 1 1 34040 1 . GLY 2 2 34040 1 . CYS 3 3 34040 1 . PRO 4 4 34040 1 . THR 5 5 34040 1 . ASN 6 6 34040 1 . GLY 7 7 34040 1 . PRO 8 8 34040 1 . LYS 9 9 34040 1 . ILE 10 10 34040 1 . PRO 11 11 34040 1 . SER 12 12 34040 1 . ILE 13 13 34040 1 . ALA 14 14 34040 1 . THR 15 15 34040 1 . GLY 16 16 34040 1 . MET 17 17 34040 1 . VAL 18 18 34040 1 . GLY 19 19 34040 1 . ALA 20 20 34040 1 . LEU 21 21 34040 1 . LEU 22 22 34040 1 . LEU 23 23 34040 1 . LEU 24 24 34040 1 . LEU 25 25 34040 1 . VAL 26 26 34040 1 . VAL 27 27 34040 1 . ALA 28 28 34040 1 . LEU 29 29 34040 1 . GLY 30 30 34040 1 . ILE 31 31 34040 1 . GLY 32 32 34040 1 . LEU 33 33 34040 1 . PHE 34 34 34040 1 . MET 35 35 34040 1 . ARG 36 36 34040 1 . ARG 37 37 34040 1 . ARG 38 38 34040 1 . HIS 39 39 34040 1 . ILE 40 40 34040 1 . VAL 41 41 34040 1 . ARG 42 42 34040 1 . LYS 43 43 34040 1 . ARG 44 44 34040 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 34040 _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 . . . . . . . . . . . 'EGFR, ERBB, ERBB1, HER1' . 34040 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 34040 _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 . . . . . . . . . . 34040 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34040 _Sample.ID 1 _Sample.Type bicelle _Sample.Sub_type . _Sample.Details ; 0.01 % sodium azide, 50 mM phosphate buffer pH 5.8, 5 mM TCEP, 30 mM U-2H DHPC, 10 mM U-2H DMPC, 90% H2O/10% D2O. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 . . . 1 $entity_1 . . . . . mM . . . . 34040 1 2 DHPC [U-2H] . . . . . . 30 . . mM . . . . 34040 1 3 DMPC [U-2H] . . . . . . 10 . . mM . . . . 34040 1 4 TCEP 'natural abundance' . . . . . . 5 . . mM . . . . 34040 1 5 'phosphate buffer pH 5.8' 'natural abundance' . . . . . . 50 . . mM . . . . 34040 1 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 34040 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 34040 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 34040 1 pH 5.8 . pH 34040 1 pressure 1 . atm 34040 1 temperature 313 . K 34040 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34040 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34040 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34040 1 'peak picking' 34040 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34040 _Software.ID 2 _Software.Name CYANA _Software.Version 3.97 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34040 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 34040 2 'structure calculation' 34040 2 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 34040 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details Cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34040 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 600 . . . 34040 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 34040 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-13C NOESY with heteronuclear filtration' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34040 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34040 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34040 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34040 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34040 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34040 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34040 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34040 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 34040 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 TSP 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 34040 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 34040 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _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 '3D 1H-13C NOESY with heteronuclear filtration' . . . 34040 1 2 '2D 1H-13C HSQC' . . . 34040 1 3 '2D 1H-15N HSQC' . . . 34040 1 4 '3D HNCO' . . . 34040 1 5 '3D HNCA' . . . 34040 1 6 '3D HN(CO)CA' . . . 34040 1 7 '3D 1H-15N NOESY' . . . 34040 1 8 '3D 1H-13C NOESY' . . . 34040 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLU HA H 1 4.111 0.020 . 1 . . . A 634 GLU HA . 34040 1 2 . 1 1 1 1 GLU HB2 H 1 2.157 0.020 . 2 . . . A 634 GLU HB2 . 34040 1 3 . 1 1 1 1 GLU HB3 H 1 2.185 0.020 . 2 . . . A 634 GLU HB3 . 34040 1 4 . 1 1 1 1 GLU HG2 H 1 2.432 0.020 . 2 . . . A 634 GLU HG2 . 34040 1 5 . 1 1 1 1 GLU HG3 H 1 2.432 0.020 . 2 . . . A 634 GLU HG3 . 34040 1 6 . 1 1 1 1 GLU C C 13 175.462 0.400 . 1 . . . A 634 GLU C . 34040 1 7 . 1 1 1 1 GLU CA C 13 70.384 0.400 . 1 . . . A 634 GLU CA . 34040 1 8 . 1 1 1 1 GLU CB C 13 29.912 0.400 . 1 . . . A 634 GLU CB . 34040 1 9 . 1 1 1 1 GLU CG C 13 35.058 0.400 . 1 . . . A 634 GLU CG . 34040 1 10 . 1 1 2 2 GLY H H 1 8.087 0.020 . 1 . . . A 635 GLY H . 34040 1 11 . 1 1 2 2 GLY HA2 H 1 4.068 0.020 . 2 . . . A 635 GLY HA2 . 34040 1 12 . 1 1 2 2 GLY HA3 H 1 4.068 0.020 . 2 . . . A 635 GLY HA3 . 34040 1 13 . 1 1 2 2 GLY C C 13 173.198 0.400 . 1 . . . A 635 GLY C . 34040 1 14 . 1 1 2 2 GLY CA C 13 44.343 0.400 . 1 . . . A 635 GLY CA . 34040 1 15 . 1 1 2 2 GLY N N 15 113.609 0.400 . 1 . . . A 635 GLY N . 34040 1 16 . 1 1 3 3 CYS H H 1 8.361 0.020 . 1 . . . A 636 CYS H . 34040 1 17 . 1 1 3 3 CYS HA H 1 5.069 0.020 . 1 . . . A 636 CYS HA . 34040 1 18 . 1 1 3 3 CYS HB2 H 1 3.267 0.020 . 2 . . . A 636 CYS HB2 . 34040 1 19 . 1 1 3 3 CYS HB3 H 1 2.929 0.020 . 2 . . . A 636 CYS HB3 . 34040 1 20 . 1 1 3 3 CYS CA C 13 53.078 0.400 . 1 . . . A 636 CYS CA . 34040 1 21 . 1 1 3 3 CYS CB C 13 40.391 0.400 . 1 . . . A 636 CYS CB . 34040 1 22 . 1 1 3 3 CYS N N 15 120.710 0.400 . 1 . . . A 636 CYS N . 34040 1 23 . 1 1 4 4 PRO HA H 1 4.540 0.020 . 1 . . . A 637 PRO HA . 34040 1 24 . 1 1 4 4 PRO HB2 H 1 2.336 0.020 . 2 . . . A 637 PRO HB2 . 34040 1 25 . 1 1 4 4 PRO HB3 H 1 2.001 0.020 . 2 . . . A 637 PRO HB3 . 34040 1 26 . 1 1 4 4 PRO HG2 H 1 2.086 0.020 . 2 . . . A 637 PRO HG2 . 34040 1 27 . 1 1 4 4 PRO HD2 H 1 3.870 0.020 . 2 . . . A 637 PRO HD2 . 34040 1 28 . 1 1 4 4 PRO HD3 H 1 3.758 0.020 . 2 . . . A 637 PRO HD3 . 34040 1 29 . 1 1 4 4 PRO C C 13 176.567 0.400 . 1 . . . A 637 PRO C . 34040 1 30 . 1 1 4 4 PRO CA C 13 63.212 0.400 . 1 . . . A 637 PRO CA . 34040 1 31 . 1 1 4 4 PRO CB C 13 31.971 0.400 . 1 . . . A 637 PRO CB . 34040 1 32 . 1 1 4 4 PRO CG C 13 27.201 0.400 . 1 . . . A 637 PRO CG . 34040 1 33 . 1 1 4 4 PRO CD C 13 50.542 0.400 . 1 . . . A 637 PRO CD . 34040 1 34 . 1 1 5 5 THR H H 1 8.173 0.020 . 1 . . . A 638 THR H . 34040 1 35 . 1 1 5 5 THR HA H 1 4.343 0.020 . 1 . . . A 638 THR HA . 34040 1 36 . 1 1 5 5 THR HB H 1 4.315 0.020 . 1 . . . A 638 THR HB . 34040 1 37 . 1 1 5 5 THR HG21 H 1 1.243 0.020 . 1 . . . A 638 THR HG21 . 34040 1 38 . 1 1 5 5 THR HG22 H 1 1.243 0.020 . 1 . . . A 638 THR HG22 . 34040 1 39 . 1 1 5 5 THR HG23 H 1 1.243 0.020 . 1 . . . A 638 THR HG23 . 34040 1 40 . 1 1 5 5 THR C C 13 173.298 0.400 . 1 . . . A 638 THR C . 34040 1 41 . 1 1 5 5 THR CA C 13 61.310 0.400 . 1 . . . A 638 THR CA . 34040 1 42 . 1 1 5 5 THR CB C 13 69.612 0.400 . 1 . . . A 638 THR CB . 34040 1 43 . 1 1 5 5 THR CG2 C 13 21.368 0.400 . 1 . . . A 638 THR CG2 . 34040 1 44 . 1 1 5 5 THR N N 15 113.758 0.400 . 1 . . . A 638 THR N . 34040 1 45 . 1 1 6 6 ASN H H 1 7.949 0.020 . 1 . . . A 639 ASN H . 34040 1 46 . 1 1 6 6 ASN HA H 1 4.819 0.020 . 1 . . . A 639 ASN HA . 34040 1 47 . 1 1 6 6 ASN HB2 H 1 2.796 0.020 . 2 . . . A 639 ASN HB2 . 34040 1 48 . 1 1 6 6 ASN HB3 H 1 2.880 0.020 . 2 . . . A 639 ASN HB3 . 34040 1 49 . 1 1 6 6 ASN C C 13 174.746 0.400 . 1 . . . A 639 ASN C . 34040 1 50 . 1 1 6 6 ASN CA C 13 54.460 0.400 . 1 . . . A 639 ASN CA . 34040 1 51 . 1 1 6 6 ASN CB C 13 39.069 0.400 . 1 . . . A 639 ASN CB . 34040 1 52 . 1 1 6 6 ASN N N 15 125.806 0.400 . 1 . . . A 639 ASN N . 34040 1 53 . 1 1 7 7 GLY H H 1 8.075 0.020 . 1 . . . A 640 GLY H . 34040 1 54 . 1 1 7 7 GLY HA2 H 1 4.174 0.020 . 2 . . . A 640 GLY HA2 . 34040 1 55 . 1 1 7 7 GLY HA3 H 1 4.048 0.020 . 2 . . . A 640 GLY HA3 . 34040 1 56 . 1 1 7 7 GLY CA C 13 44.244 0.400 . 1 . . . A 640 GLY CA . 34040 1 57 . 1 1 7 7 GLY N N 15 108.678 0.400 . 1 . . . A 640 GLY N . 34040 1 58 . 1 1 8 8 PRO HA H 1 4.481 0.020 . 1 . . . A 641 PRO HA . 34040 1 59 . 1 1 8 8 PRO HB2 H 1 2.277 0.020 . 2 . . . A 641 PRO HB2 . 34040 1 60 . 1 1 8 8 PRO HB3 H 1 1.893 0.020 . 2 . . . A 641 PRO HB3 . 34040 1 61 . 1 1 8 8 PRO HG2 H 1 2.038 0.020 . 2 . . . A 641 PRO HG2 . 34040 1 62 . 1 1 8 8 PRO HD2 H 1 3.657 0.020 . 2 . . . A 641 PRO HD2 . 34040 1 63 . 1 1 8 8 PRO HD3 H 1 3.657 0.020 . 2 . . . A 641 PRO HD3 . 34040 1 64 . 1 1 8 8 PRO C C 13 176.451 0.400 . 1 . . . A 641 PRO C . 34040 1 65 . 1 1 8 8 PRO CA C 13 62.742 0.400 . 1 . . . A 641 PRO CA . 34040 1 66 . 1 1 8 8 PRO CB C 13 32.122 0.400 . 1 . . . A 641 PRO CB . 34040 1 67 . 1 1 8 8 PRO CG C 13 27.027 0.400 . 1 . . . A 641 PRO CG . 34040 1 68 . 1 1 8 8 PRO CD C 13 49.525 0.400 . 1 . . . A 641 PRO CD . 34040 1 69 . 1 1 9 9 LYS H H 1 8.441 0.020 . 1 . . . A 642 LYS H . 34040 1 70 . 1 1 9 9 LYS HA H 1 4.375 0.020 . 1 . . . A 642 LYS HA . 34040 1 71 . 1 1 9 9 LYS HB2 H 1 1.786 0.020 . 2 . . . A 642 LYS HB2 . 34040 1 72 . 1 1 9 9 LYS HB3 H 1 1.839 0.020 . 2 . . . A 642 LYS HB3 . 34040 1 73 . 1 1 9 9 LYS HG2 H 1 1.499 0.020 . 2 . . . A 642 LYS HG2 . 34040 1 74 . 1 1 9 9 LYS HG3 H 1 1.499 0.020 . 2 . . . A 642 LYS HG3 . 34040 1 75 . 1 1 9 9 LYS HD2 H 1 1.711 0.020 . 2 . . . A 642 LYS HD2 . 34040 1 76 . 1 1 9 9 LYS HD3 H 1 1.711 0.020 . 2 . . . A 642 LYS HD3 . 34040 1 77 . 1 1 9 9 LYS HE2 H 1 3.029 0.020 . 2 . . . A 642 LYS HE2 . 34040 1 78 . 1 1 9 9 LYS HE3 H 1 3.029 0.020 . 2 . . . A 642 LYS HE3 . 34040 1 79 . 1 1 9 9 LYS C C 13 175.902 0.400 . 1 . . . A 642 LYS C . 34040 1 80 . 1 1 9 9 LYS CA C 13 55.742 0.400 . 1 . . . A 642 LYS CA . 34040 1 81 . 1 1 9 9 LYS CB C 13 32.826 0.400 . 1 . . . A 642 LYS CB . 34040 1 82 . 1 1 9 9 LYS CG C 13 24.473 0.400 . 1 . . . A 642 LYS CG . 34040 1 83 . 1 1 9 9 LYS CD C 13 28.765 0.400 . 1 . . . A 642 LYS CD . 34040 1 84 . 1 1 9 9 LYS CE C 13 42.108 0.400 . 1 . . . A 642 LYS CE . 34040 1 85 . 1 1 9 9 LYS N N 15 121.590 0.400 . 1 . . . A 642 LYS N . 34040 1 86 . 1 1 10 10 ILE H H 1 8.195 0.020 . 1 . . . A 643 ILE H . 34040 1 87 . 1 1 10 10 ILE HA H 1 4.430 0.020 . 1 . . . A 643 ILE HA . 34040 1 88 . 1 1 10 10 ILE HB H 1 1.947 0.020 . 1 . . . A 643 ILE HB . 34040 1 89 . 1 1 10 10 ILE HG12 H 1 1.608 0.020 . 2 . . . A 643 ILE HG12 . 34040 1 90 . 1 1 10 10 ILE HG13 H 1 1.222 0.020 . 2 . . . A 643 ILE HG13 . 34040 1 91 . 1 1 10 10 ILE HG21 H 1 0.973 0.020 . 1 . . . A 643 ILE HG21 . 34040 1 92 . 1 1 10 10 ILE HG22 H 1 0.973 0.020 . 1 . . . A 643 ILE HG22 . 34040 1 93 . 1 1 10 10 ILE HG23 H 1 0.973 0.020 . 1 . . . A 643 ILE HG23 . 34040 1 94 . 1 1 10 10 ILE HD11 H 1 0.895 0.020 . 1 . . . A 643 ILE HD11 . 34040 1 95 . 1 1 10 10 ILE HD12 H 1 0.895 0.020 . 1 . . . A 643 ILE HD12 . 34040 1 96 . 1 1 10 10 ILE HD13 H 1 0.895 0.020 . 1 . . . A 643 ILE HD13 . 34040 1 97 . 1 1 10 10 ILE CA C 13 59.137 0.400 . 1 . . . A 643 ILE CA . 34040 1 98 . 1 1 10 10 ILE CB C 13 38.100 0.400 . 1 . . . A 643 ILE CB . 34040 1 99 . 1 1 10 10 ILE CG1 C 13 27.128 0.400 . 1 . . . A 643 ILE CG1 . 34040 1 100 . 1 1 10 10 ILE CG2 C 13 17.224 0.400 . 1 . . . A 643 ILE CG2 . 34040 1 101 . 1 1 10 10 ILE CD1 C 13 12.293 0.400 . 1 . . . A 643 ILE CD1 . 34040 1 102 . 1 1 10 10 ILE N N 15 121.876 0.400 . 1 . . . A 643 ILE N . 34040 1 103 . 1 1 11 11 PRO HA H 1 4.485 0.020 . 1 . . . A 644 PRO HA . 34040 1 104 . 1 1 11 11 PRO HB2 H 1 2.402 0.020 . 2 . . . A 644 PRO HB2 . 34040 1 105 . 1 1 11 11 PRO HB3 H 1 1.961 0.020 . 2 . . . A 644 PRO HB3 . 34040 1 106 . 1 1 11 11 PRO HG2 H 1 2.054 0.020 . 2 . . . A 644 PRO HG2 . 34040 1 107 . 1 1 11 11 PRO HD2 H 1 3.651 0.020 . 2 . . . A 644 PRO HD2 . 34040 1 108 . 1 1 11 11 PRO HD3 H 1 3.952 0.020 . 2 . . . A 644 PRO HD3 . 34040 1 109 . 1 1 11 11 PRO C C 13 176.740 0.400 . 1 . . . A 644 PRO C . 34040 1 110 . 1 1 11 11 PRO CA C 13 63.349 0.400 . 1 . . . A 644 PRO CA . 34040 1 111 . 1 1 11 11 PRO CB C 13 32.026 0.400 . 1 . . . A 644 PRO CB . 34040 1 112 . 1 1 11 11 PRO CG C 13 27.482 0.400 . 1 . . . A 644 PRO CG . 34040 1 113 . 1 1 11 11 PRO CD C 13 50.590 0.400 . 1 . . . A 644 PRO CD . 34040 1 114 . 1 1 12 12 SER H H 1 8.335 0.020 . 1 . . . A 645 SER H . 34040 1 115 . 1 1 12 12 SER HA H 1 4.439 0.020 . 1 . . . A 645 SER HA . 34040 1 116 . 1 1 12 12 SER HB2 H 1 4.061 0.020 . 2 . . . A 645 SER HB2 . 34040 1 117 . 1 1 12 12 SER HB3 H 1 4.021 0.020 . 2 . . . A 645 SER HB3 . 34040 1 118 . 1 1 12 12 SER C C 13 175.526 0.400 . 1 . . . A 645 SER C . 34040 1 119 . 1 1 12 12 SER CA C 13 59.784 0.400 . 1 . . . A 645 SER CA . 34040 1 120 . 1 1 12 12 SER CB C 13 63.607 0.400 . 1 . . . A 645 SER CB . 34040 1 121 . 1 1 12 12 SER N N 15 116.442 0.400 . 1 . . . A 645 SER N . 34040 1 122 . 1 1 13 13 ILE H H 1 8.315 0.020 . 1 . . . A 646 ILE H . 34040 1 123 . 1 1 13 13 ILE HA H 1 4.005 0.020 . 1 . . . A 646 ILE HA . 34040 1 124 . 1 1 13 13 ILE HB H 1 1.943 0.020 . 1 . . . A 646 ILE HB . 34040 1 125 . 1 1 13 13 ILE HG12 H 1 1.641 0.020 . 2 . . . A 646 ILE HG12 . 34040 1 126 . 1 1 13 13 ILE HG13 H 1 1.250 0.020 . 2 . . . A 646 ILE HG13 . 34040 1 127 . 1 1 13 13 ILE HG21 H 1 0.937 0.020 . 1 . . . A 646 ILE HG21 . 34040 1 128 . 1 1 13 13 ILE HG22 H 1 0.937 0.020 . 1 . . . A 646 ILE HG22 . 34040 1 129 . 1 1 13 13 ILE HG23 H 1 0.937 0.020 . 1 . . . A 646 ILE HG23 . 34040 1 130 . 1 1 13 13 ILE HD11 H 1 0.899 0.020 . 1 . . . A 646 ILE HD11 . 34040 1 131 . 1 1 13 13 ILE HD12 H 1 0.899 0.020 . 1 . . . A 646 ILE HD12 . 34040 1 132 . 1 1 13 13 ILE HD13 H 1 0.899 0.020 . 1 . . . A 646 ILE HD13 . 34040 1 133 . 1 1 13 13 ILE C C 13 175.974 0.400 . 1 . . . A 646 ILE C . 34040 1 134 . 1 1 13 13 ILE CA C 13 62.684 0.400 . 1 . . . A 646 ILE CA . 34040 1 135 . 1 1 13 13 ILE CB C 13 38.310 0.400 . 1 . . . A 646 ILE CB . 34040 1 136 . 1 1 13 13 ILE CG1 C 13 28.018 0.400 . 1 . . . A 646 ILE CG1 . 34040 1 137 . 1 1 13 13 ILE CG2 C 13 17.332 0.400 . 1 . . . A 646 ILE CG2 . 34040 1 138 . 1 1 13 13 ILE CD1 C 13 13.112 0.400 . 1 . . . A 646 ILE CD1 . 34040 1 139 . 1 1 13 13 ILE N N 15 121.039 0.400 . 1 . . . A 646 ILE N . 34040 1 140 . 1 1 14 14 ALA H H 1 8.168 0.020 . 1 . . . A 647 ALA H . 34040 1 141 . 1 1 14 14 ALA HA H 1 4.140 0.020 . 1 . . . A 647 ALA HA . 34040 1 142 . 1 1 14 14 ALA HB1 H 1 1.474 0.020 . 1 . . . A 647 ALA HB1 . 34040 1 143 . 1 1 14 14 ALA HB2 H 1 1.474 0.020 . 1 . . . A 647 ALA HB2 . 34040 1 144 . 1 1 14 14 ALA HB3 H 1 1.474 0.020 . 1 . . . A 647 ALA HB3 . 34040 1 145 . 1 1 14 14 ALA C C 13 178.012 0.400 . 1 . . . A 647 ALA C . 34040 1 146 . 1 1 14 14 ALA CA C 13 54.232 0.400 . 1 . . . A 647 ALA CA . 34040 1 147 . 1 1 14 14 ALA CB C 13 18.299 0.400 . 1 . . . A 647 ALA CB . 34040 1 148 . 1 1 14 14 ALA N N 15 123.321 0.400 . 1 . . . A 647 ALA N . 34040 1 149 . 1 1 15 15 THR H H 1 7.926 0.020 . 1 . . . A 648 THR H . 34040 1 150 . 1 1 15 15 THR HA H 1 3.931 0.020 . 1 . . . A 648 THR HA . 34040 1 151 . 1 1 15 15 THR HB H 1 4.301 0.020 . 1 . . . A 648 THR HB . 34040 1 152 . 1 1 15 15 THR HG21 H 1 1.224 0.020 . 1 . . . A 648 THR HG21 . 34040 1 153 . 1 1 15 15 THR HG22 H 1 1.224 0.020 . 1 . . . A 648 THR HG22 . 34040 1 154 . 1 1 15 15 THR HG23 H 1 1.224 0.020 . 1 . . . A 648 THR HG23 . 34040 1 155 . 1 1 15 15 THR C C 13 176.364 0.400 . 1 . . . A 648 THR C . 34040 1 156 . 1 1 15 15 THR CA C 13 65.986 0.400 . 1 . . . A 648 THR CA . 34040 1 157 . 1 1 15 15 THR CB C 13 68.439 0.400 . 1 . . . A 648 THR CB . 34040 1 158 . 1 1 15 15 THR CG2 C 13 22.216 0.400 . 1 . . . A 648 THR CG2 . 34040 1 159 . 1 1 15 15 THR N N 15 113.087 0.400 . 1 . . . A 648 THR N . 34040 1 160 . 1 1 16 16 GLY H H 1 8.456 0.020 . 1 . . . A 649 GLY H . 34040 1 161 . 1 1 16 16 GLY HA2 H 1 3.879 0.020 . 2 . . . A 649 GLY HA2 . 34040 1 162 . 1 1 16 16 GLY HA3 H 1 3.879 0.020 . 2 . . . A 649 GLY HA3 . 34040 1 163 . 1 1 16 16 GLY C C 13 174.572 0.400 . 1 . . . A 649 GLY C . 34040 1 164 . 1 1 16 16 GLY CA C 13 46.908 0.400 . 1 . . . A 649 GLY CA . 34040 1 165 . 1 1 16 16 GLY N N 15 108.694 0.400 . 1 . . . A 649 GLY N . 34040 1 166 . 1 1 17 17 MET H H 1 8.265 0.020 . 1 . . . A 650 MET H . 34040 1 167 . 1 1 17 17 MET HA H 1 4.258 0.020 . 1 . . . A 650 MET HA . 34040 1 168 . 1 1 17 17 MET HB2 H 1 2.277 0.020 . 2 . . . A 650 MET HB2 . 34040 1 169 . 1 1 17 17 MET HB3 H 1 2.072 0.020 . 2 . . . A 650 MET HB3 . 34040 1 170 . 1 1 17 17 MET HG2 H 1 2.682 0.020 . 2 . . . A 650 MET HG2 . 34040 1 171 . 1 1 17 17 MET HG3 H 1 2.540 0.020 . 2 . . . A 650 MET HG3 . 34040 1 172 . 1 1 17 17 MET HE1 H 1 1.983 0.020 . 1 . . . A 650 MET HE1 . 34040 1 173 . 1 1 17 17 MET HE2 H 1 1.983 0.020 . 1 . . . A 650 MET HE2 . 34040 1 174 . 1 1 17 17 MET HE3 H 1 1.983 0.020 . 1 . . . A 650 MET HE3 . 34040 1 175 . 1 1 17 17 MET C C 13 177.405 0.400 . 1 . . . A 650 MET C . 34040 1 176 . 1 1 17 17 MET CA C 13 58.646 0.400 . 1 . . . A 650 MET CA . 34040 1 177 . 1 1 17 17 MET CB C 13 32.628 0.400 . 1 . . . A 650 MET CB . 34040 1 178 . 1 1 17 17 MET CG C 13 32.649 0.400 . 1 . . . A 650 MET CG . 34040 1 179 . 1 1 17 17 MET CE C 13 16.879 0.400 . 1 . . . A 650 MET CE . 34040 1 180 . 1 1 17 17 MET N N 15 119.692 0.400 . 1 . . . A 650 MET N . 34040 1 181 . 1 1 18 18 VAL H H 1 8.209 0.020 . 1 . . . A 651 VAL H . 34040 1 182 . 1 1 18 18 VAL HA H 1 3.578 0.020 . 1 . . . A 651 VAL HA . 34040 1 183 . 1 1 18 18 VAL HB H 1 2.246 0.020 . 1 . . . A 651 VAL HB . 34040 1 184 . 1 1 18 18 VAL HG11 H 1 0.939 0.020 . 2 . . . A 651 VAL HG11 . 34040 1 185 . 1 1 18 18 VAL HG12 H 1 0.939 0.020 . 2 . . . A 651 VAL HG12 . 34040 1 186 . 1 1 18 18 VAL HG13 H 1 0.939 0.020 . 2 . . . A 651 VAL HG13 . 34040 1 187 . 1 1 18 18 VAL HG21 H 1 1.085 0.020 . 2 . . . A 651 VAL HG21 . 34040 1 188 . 1 1 18 18 VAL HG22 H 1 1.085 0.020 . 2 . . . A 651 VAL HG22 . 34040 1 189 . 1 1 18 18 VAL HG23 H 1 1.085 0.020 . 2 . . . A 651 VAL HG23 . 34040 1 190 . 1 1 18 18 VAL C C 13 177.376 0.400 . 1 . . . A 651 VAL C . 34040 1 191 . 1 1 18 18 VAL CA C 13 66.973 0.400 . 1 . . . A 651 VAL CA . 34040 1 192 . 1 1 18 18 VAL CB C 13 30.904 0.400 . 1 . . . A 651 VAL CB . 34040 1 193 . 1 1 18 18 VAL CG1 C 13 21.312 0.400 . 2 . . . A 651 VAL CG1 . 34040 1 194 . 1 1 18 18 VAL CG2 C 13 23.223 0.400 . 2 . . . A 651 VAL CG2 . 34040 1 195 . 1 1 18 18 VAL N N 15 118.267 0.400 . 1 . . . A 651 VAL N . 34040 1 196 . 1 1 19 19 GLY H H 1 8.416 0.020 . 1 . . . A 652 GLY H . 34040 1 197 . 1 1 19 19 GLY HA2 H 1 3.655 0.020 . 2 . . . A 652 GLY HA2 . 34040 1 198 . 1 1 19 19 GLY HA3 H 1 3.733 0.020 . 2 . . . A 652 GLY HA3 . 34040 1 199 . 1 1 19 19 GLY C C 13 173.994 0.400 . 1 . . . A 652 GLY C . 34040 1 200 . 1 1 19 19 GLY CA C 13 47.538 0.400 . 1 . . . A 652 GLY CA . 34040 1 201 . 1 1 19 19 GLY N N 15 106.185 0.400 . 1 . . . A 652 GLY N . 34040 1 202 . 1 1 20 20 ALA H H 1 8.246 0.020 . 1 . . . A 653 ALA H . 34040 1 203 . 1 1 20 20 ALA HA H 1 3.977 0.020 . 1 . . . A 653 ALA HA . 34040 1 204 . 1 1 20 20 ALA HB1 H 1 1.495 0.020 . 1 . . . A 653 ALA HB1 . 34040 1 205 . 1 1 20 20 ALA HB2 H 1 1.495 0.020 . 1 . . . A 653 ALA HB2 . 34040 1 206 . 1 1 20 20 ALA HB3 H 1 1.495 0.020 . 1 . . . A 653 ALA HB3 . 34040 1 207 . 1 1 20 20 ALA C C 13 178.401 0.400 . 1 . . . A 653 ALA C . 34040 1 208 . 1 1 20 20 ALA CA C 13 55.207 0.400 . 1 . . . A 653 ALA CA . 34040 1 209 . 1 1 20 20 ALA CB C 13 18.146 0.400 . 1 . . . A 653 ALA CB . 34040 1 210 . 1 1 20 20 ALA N N 15 122.198 0.400 . 1 . . . A 653 ALA N . 34040 1 211 . 1 1 21 21 LEU H H 1 8.096 0.020 . 1 . . . A 654 LEU H . 34040 1 212 . 1 1 21 21 LEU HA H 1 4.001 0.020 . 1 . . . A 654 LEU HA . 34040 1 213 . 1 1 21 21 LEU HB2 H 1 1.893 0.020 . 2 . . . A 654 LEU HB2 . 34040 1 214 . 1 1 21 21 LEU HB3 H 1 1.662 0.020 . 2 . . . A 654 LEU HB3 . 34040 1 215 . 1 1 21 21 LEU HG H 1 1.850 0.020 . 1 . . . A 654 LEU HG . 34040 1 216 . 1 1 21 21 LEU HD11 H 1 0.832 0.020 . 2 . . . A 654 LEU HD11 . 34040 1 217 . 1 1 21 21 LEU HD12 H 1 0.832 0.020 . 2 . . . A 654 LEU HD12 . 34040 1 218 . 1 1 21 21 LEU HD13 H 1 0.832 0.020 . 2 . . . A 654 LEU HD13 . 34040 1 219 . 1 1 21 21 LEU HD21 H 1 0.883 0.020 . 2 . . . A 654 LEU HD21 . 34040 1 220 . 1 1 21 21 LEU HD22 H 1 0.883 0.020 . 2 . . . A 654 LEU HD22 . 34040 1 221 . 1 1 21 21 LEU HD23 H 1 0.883 0.020 . 2 . . . A 654 LEU HD23 . 34040 1 222 . 1 1 21 21 LEU C C 13 177.969 0.400 . 1 . . . A 654 LEU C . 34040 1 223 . 1 1 21 21 LEU CA C 13 57.850 0.400 . 1 . . . A 654 LEU CA . 34040 1 224 . 1 1 21 21 LEU CB C 13 41.565 0.400 . 1 . . . A 654 LEU CB . 34040 1 225 . 1 1 21 21 LEU CG C 13 26.867 0.400 . 1 . . . A 654 LEU CG . 34040 1 226 . 1 1 21 21 LEU CD1 C 13 23.826 0.400 . 2 . . . A 654 LEU CD1 . 34040 1 227 . 1 1 21 21 LEU CD2 C 13 24.426 0.400 . 2 . . . A 654 LEU CD2 . 34040 1 228 . 1 1 21 21 LEU N N 15 117.004 0.400 . 1 . . . A 654 LEU N . 34040 1 229 . 1 1 22 22 LEU H H 1 8.351 0.020 . 1 . . . A 655 LEU H . 34040 1 230 . 1 1 22 22 LEU HA H 1 4.016 0.020 . 1 . . . A 655 LEU HA . 34040 1 231 . 1 1 22 22 LEU HB2 H 1 1.921 0.020 . 2 . . . A 655 LEU HB2 . 34040 1 232 . 1 1 22 22 LEU HB3 H 1 1.517 0.020 . 2 . . . A 655 LEU HB3 . 34040 1 233 . 1 1 22 22 LEU HG H 1 1.875 0.020 . 1 . . . A 655 LEU HG . 34040 1 234 . 1 1 22 22 LEU HD11 H 1 0.828 0.020 . 2 . . . A 655 LEU HD11 . 34040 1 235 . 1 1 22 22 LEU HD12 H 1 0.828 0.020 . 2 . . . A 655 LEU HD12 . 34040 1 236 . 1 1 22 22 LEU HD13 H 1 0.828 0.020 . 2 . . . A 655 LEU HD13 . 34040 1 237 . 1 1 22 22 LEU HD21 H 1 0.866 0.020 . 2 . . . A 655 LEU HD21 . 34040 1 238 . 1 1 22 22 LEU HD22 H 1 0.866 0.020 . 2 . . . A 655 LEU HD22 . 34040 1 239 . 1 1 22 22 LEU HD23 H 1 0.866 0.020 . 2 . . . A 655 LEU HD23 . 34040 1 240 . 1 1 22 22 LEU C C 13 177.853 0.400 . 1 . . . A 655 LEU C . 34040 1 241 . 1 1 22 22 LEU CA C 13 58.021 0.400 . 1 . . . A 655 LEU CA . 34040 1 242 . 1 1 22 22 LEU CB C 13 41.453 0.400 . 1 . . . A 655 LEU CB . 34040 1 243 . 1 1 22 22 LEU CG C 13 26.632 0.400 . 1 . . . A 655 LEU CG . 34040 1 244 . 1 1 22 22 LEU CD1 C 13 23.324 0.400 . 2 . . . A 655 LEU CD1 . 34040 1 245 . 1 1 22 22 LEU CD2 C 13 24.962 0.400 . 2 . . . A 655 LEU CD2 . 34040 1 246 . 1 1 22 22 LEU N N 15 118.059 0.400 . 1 . . . A 655 LEU N . 34040 1 247 . 1 1 23 23 LEU H H 1 8.224 0.020 . 1 . . . A 656 LEU H . 34040 1 248 . 1 1 23 23 LEU HA H 1 3.985 0.020 . 1 . . . A 656 LEU HA . 34040 1 249 . 1 1 23 23 LEU HB2 H 1 1.900 0.020 . 1 . . . A 656 LEU HB2 . 34040 1 250 . 1 1 23 23 LEU HB3 H 1 1.764 0.020 . 1 . . . A 656 LEU HB3 . 34040 1 251 . 1 1 23 23 LEU HG H 1 1.850 0.020 . 1 . . . A 656 LEU HG . 34040 1 252 . 1 1 23 23 LEU HD11 H 1 0.838 0.020 . 2 . . . A 656 LEU HD11 . 34040 1 253 . 1 1 23 23 LEU HD12 H 1 0.838 0.020 . 2 . . . A 656 LEU HD12 . 34040 1 254 . 1 1 23 23 LEU HD13 H 1 0.838 0.020 . 2 . . . A 656 LEU HD13 . 34040 1 255 . 1 1 23 23 LEU HD21 H 1 0.885 0.020 . 2 . . . A 656 LEU HD21 . 34040 1 256 . 1 1 23 23 LEU HD22 H 1 0.885 0.020 . 2 . . . A 656 LEU HD22 . 34040 1 257 . 1 1 23 23 LEU HD23 H 1 0.885 0.020 . 2 . . . A 656 LEU HD23 . 34040 1 258 . 1 1 23 23 LEU C C 13 177.917 0.400 . 1 . . . A 656 LEU C . 34040 1 259 . 1 1 23 23 LEU CA C 13 58.156 0.400 . 1 . . . A 656 LEU CA . 34040 1 260 . 1 1 23 23 LEU CB C 13 41.505 0.400 . 1 . . . A 656 LEU CB . 34040 1 261 . 1 1 23 23 LEU CG C 13 26.853 0.400 . 1 . . . A 656 LEU CG . 34040 1 262 . 1 1 23 23 LEU CD1 C 13 23.845 0.400 . 2 . . . A 656 LEU CD1 . 34040 1 263 . 1 1 23 23 LEU CD2 C 13 24.558 0.400 . 2 . . . A 656 LEU CD2 . 34040 1 264 . 1 1 23 23 LEU N N 15 117.846 0.400 . 1 . . . A 656 LEU N . 34040 1 265 . 1 1 24 24 LEU H H 1 8.143 0.020 . 1 . . . A 657 LEU H . 34040 1 266 . 1 1 24 24 LEU HA H 1 3.901 0.020 . 1 . . . A 657 LEU HA . 34040 1 267 . 1 1 24 24 LEU HB2 H 1 1.683 0.020 . 2 . . . A 657 LEU HB2 . 34040 1 268 . 1 1 24 24 LEU HB3 H 1 1.899 0.020 . 2 . . . A 657 LEU HB3 . 34040 1 269 . 1 1 24 24 LEU HG H 1 1.831 0.020 . 1 . . . A 657 LEU HG . 34040 1 270 . 1 1 24 24 LEU HD11 H 1 0.827 0.020 . 2 . . . A 657 LEU HD11 . 34040 1 271 . 1 1 24 24 LEU HD12 H 1 0.827 0.020 . 2 . . . A 657 LEU HD12 . 34040 1 272 . 1 1 24 24 LEU HD13 H 1 0.827 0.020 . 2 . . . A 657 LEU HD13 . 34040 1 273 . 1 1 24 24 LEU HD21 H 1 0.886 0.020 . 2 . . . A 657 LEU HD21 . 34040 1 274 . 1 1 24 24 LEU HD22 H 1 0.886 0.020 . 2 . . . A 657 LEU HD22 . 34040 1 275 . 1 1 24 24 LEU HD23 H 1 0.886 0.020 . 2 . . . A 657 LEU HD23 . 34040 1 276 . 1 1 24 24 LEU C C 13 177.917 0.400 . 1 . . . A 657 LEU C . 34040 1 277 . 1 1 24 24 LEU CA C 13 58.242 0.400 . 1 . . . A 657 LEU CA . 34040 1 278 . 1 1 24 24 LEU CB C 13 41.444 0.400 . 1 . . . A 657 LEU CB . 34040 1 279 . 1 1 24 24 LEU CG C 13 26.734 0.400 . 1 . . . A 657 LEU CG . 34040 1 280 . 1 1 24 24 LEU CD1 C 13 23.700 0.400 . 2 . . . A 657 LEU CD1 . 34040 1 281 . 1 1 24 24 LEU CD2 C 13 24.504 0.400 . 2 . . . A 657 LEU CD2 . 34040 1 282 . 1 1 24 24 LEU N N 15 118.397 0.400 . 1 . . . A 657 LEU N . 34040 1 283 . 1 1 25 25 LEU H H 1 8.245 0.020 . 1 . . . A 658 LEU H . 34040 1 284 . 1 1 25 25 LEU HA H 1 4.001 0.020 . 1 . . . A 658 LEU HA . 34040 1 285 . 1 1 25 25 LEU HB2 H 1 1.878 0.020 . 2 . . . A 658 LEU HB2 . 34040 1 286 . 1 1 25 25 LEU HB3 H 1 1.773 0.020 . 2 . . . A 658 LEU HB3 . 34040 1 287 . 1 1 25 25 LEU HG H 1 1.826 0.020 . 1 . . . A 658 LEU HG . 34040 1 288 . 1 1 25 25 LEU HD11 H 1 0.842 0.020 . 2 . . . A 658 LEU HD11 . 34040 1 289 . 1 1 25 25 LEU HD12 H 1 0.842 0.020 . 2 . . . A 658 LEU HD12 . 34040 1 290 . 1 1 25 25 LEU HD13 H 1 0.842 0.020 . 2 . . . A 658 LEU HD13 . 34040 1 291 . 1 1 25 25 LEU HD21 H 1 0.869 0.020 . 2 . . . A 658 LEU HD21 . 34040 1 292 . 1 1 25 25 LEU HD22 H 1 0.869 0.020 . 2 . . . A 658 LEU HD22 . 34040 1 293 . 1 1 25 25 LEU HD23 H 1 0.869 0.020 . 2 . . . A 658 LEU HD23 . 34040 1 294 . 1 1 25 25 LEU C C 13 177.917 0.400 . 1 . . . A 658 LEU C . 34040 1 295 . 1 1 25 25 LEU CA C 13 58.203 0.400 . 1 . . . A 658 LEU CA . 34040 1 296 . 1 1 25 25 LEU CB C 13 41.773 0.400 . 1 . . . A 658 LEU CB . 34040 1 297 . 1 1 25 25 LEU CG C 13 26.715 0.400 . 1 . . . A 658 LEU CG . 34040 1 298 . 1 1 25 25 LEU CD1 C 13 23.878 0.400 . 2 . . . A 658 LEU CD1 . 34040 1 299 . 1 1 25 25 LEU CD2 C 13 24.348 0.400 . 2 . . . A 658 LEU CD2 . 34040 1 300 . 1 1 25 25 LEU N N 15 118.309 0.400 . 1 . . . A 658 LEU N . 34040 1 301 . 1 1 26 26 VAL H H 1 8.173 0.020 . 1 . . . A 659 VAL H . 34040 1 302 . 1 1 26 26 VAL HA H 1 3.589 0.020 . 1 . . . A 659 VAL HA . 34040 1 303 . 1 1 26 26 VAL HB H 1 2.312 0.020 . 1 . . . A 659 VAL HB . 34040 1 304 . 1 1 26 26 VAL HG11 H 1 0.940 0.020 . 2 . . . A 659 VAL HG11 . 34040 1 305 . 1 1 26 26 VAL HG12 H 1 0.940 0.020 . 2 . . . A 659 VAL HG12 . 34040 1 306 . 1 1 26 26 VAL HG13 H 1 0.940 0.020 . 2 . . . A 659 VAL HG13 . 34040 1 307 . 1 1 26 26 VAL HG21 H 1 1.080 0.020 . 2 . . . A 659 VAL HG21 . 34040 1 308 . 1 1 26 26 VAL HG22 H 1 1.080 0.020 . 2 . . . A 659 VAL HG22 . 34040 1 309 . 1 1 26 26 VAL HG23 H 1 1.080 0.020 . 2 . . . A 659 VAL HG23 . 34040 1 310 . 1 1 26 26 VAL C C 13 177.385 0.400 . 1 . . . A 659 VAL C . 34040 1 311 . 1 1 26 26 VAL CA C 13 67.131 0.400 . 1 . . . A 659 VAL CA . 34040 1 312 . 1 1 26 26 VAL CB C 13 31.117 0.400 . 1 . . . A 659 VAL CB . 34040 1 313 . 1 1 26 26 VAL CG1 C 13 21.368 0.400 . 2 . . . A 659 VAL CG1 . 34040 1 314 . 1 1 26 26 VAL CG2 C 13 22.919 0.400 . 2 . . . A 659 VAL CG2 . 34040 1 315 . 1 1 26 26 VAL N N 15 118.392 0.400 . 1 . . . A 659 VAL N . 34040 1 316 . 1 1 27 27 VAL H H 1 8.290 0.020 . 1 . . . A 660 VAL H . 34040 1 317 . 1 1 27 27 VAL HA H 1 3.574 0.020 . 1 . . . A 660 VAL HA . 34040 1 318 . 1 1 27 27 VAL HB H 1 2.252 0.020 . 1 . . . A 660 VAL HB . 34040 1 319 . 1 1 27 27 VAL HG11 H 1 0.906 0.020 . 2 . . . A 660 VAL HG11 . 34040 1 320 . 1 1 27 27 VAL HG12 H 1 0.906 0.020 . 2 . . . A 660 VAL HG12 . 34040 1 321 . 1 1 27 27 VAL HG13 H 1 0.906 0.020 . 2 . . . A 660 VAL HG13 . 34040 1 322 . 1 1 27 27 VAL HG21 H 1 1.036 0.020 . 2 . . . A 660 VAL HG21 . 34040 1 323 . 1 1 27 27 VAL HG22 H 1 1.036 0.020 . 2 . . . A 660 VAL HG22 . 34040 1 324 . 1 1 27 27 VAL HG23 H 1 1.036 0.020 . 2 . . . A 660 VAL HG23 . 34040 1 325 . 1 1 27 27 VAL C C 13 176.901 0.400 . 1 . . . A 660 VAL C . 34040 1 326 . 1 1 27 27 VAL CA C 13 67.046 0.400 . 1 . . . A 660 VAL CA . 34040 1 327 . 1 1 27 27 VAL CB C 13 30.970 0.400 . 1 . . . A 660 VAL CB . 34040 1 328 . 1 1 27 27 VAL CG1 C 13 21.372 0.400 . 2 . . . A 660 VAL CG1 . 34040 1 329 . 1 1 27 27 VAL CG2 C 13 23.040 0.400 . 2 . . . A 660 VAL CG2 . 34040 1 330 . 1 1 27 27 VAL N N 15 119.385 0.400 . 1 . . . A 660 VAL N . 34040 1 331 . 1 1 28 28 ALA H H 1 8.573 0.020 . 1 . . . A 661 ALA H . 34040 1 332 . 1 1 28 28 ALA HA H 1 3.948 0.020 . 1 . . . A 661 ALA HA . 34040 1 333 . 1 1 28 28 ALA HB1 H 1 1.494 0.020 . 1 . . . A 661 ALA HB1 . 34040 1 334 . 1 1 28 28 ALA HB2 H 1 1.494 0.020 . 1 . . . A 661 ALA HB2 . 34040 1 335 . 1 1 28 28 ALA HB3 H 1 1.494 0.020 . 1 . . . A 661 ALA HB3 . 34040 1 336 . 1 1 28 28 ALA C C 13 178.795 0.400 . 1 . . . A 661 ALA C . 34040 1 337 . 1 1 28 28 ALA CA C 13 55.648 0.400 . 1 . . . A 661 ALA CA . 34040 1 338 . 1 1 28 28 ALA CB C 13 17.915 0.400 . 1 . . . A 661 ALA CB . 34040 1 339 . 1 1 28 28 ALA N N 15 121.190 0.400 . 1 . . . A 661 ALA N . 34040 1 340 . 1 1 29 29 LEU H H 1 8.472 0.020 . 1 . . . A 662 LEU H . 34040 1 341 . 1 1 29 29 LEU HA H 1 4.042 0.020 . 1 . . . A 662 LEU HA . 34040 1 342 . 1 1 29 29 LEU HB2 H 1 1.900 0.020 . 2 . . . A 662 LEU HB2 . 34040 1 343 . 1 1 29 29 LEU HB3 H 1 1.619 0.020 . 2 . . . A 662 LEU HB3 . 34040 1 344 . 1 1 29 29 LEU HG H 1 1.873 0.020 . 1 . . . A 662 LEU HG . 34040 1 345 . 1 1 29 29 LEU HD11 H 1 0.879 0.020 . 2 . . . A 662 LEU HD11 . 34040 1 346 . 1 1 29 29 LEU HD12 H 1 0.879 0.020 . 2 . . . A 662 LEU HD12 . 34040 1 347 . 1 1 29 29 LEU HD13 H 1 0.879 0.020 . 2 . . . A 662 LEU HD13 . 34040 1 348 . 1 1 29 29 LEU HD21 H 1 0.903 0.020 . 2 . . . A 662 LEU HD21 . 34040 1 349 . 1 1 29 29 LEU HD22 H 1 0.903 0.020 . 2 . . . A 662 LEU HD22 . 34040 1 350 . 1 1 29 29 LEU HD23 H 1 0.903 0.020 . 2 . . . A 662 LEU HD23 . 34040 1 351 . 1 1 29 29 LEU C C 13 178.362 0.400 . 1 . . . A 662 LEU C . 34040 1 352 . 1 1 29 29 LEU CA C 13 57.819 0.400 . 1 . . . A 662 LEU CA . 34040 1 353 . 1 1 29 29 LEU CB C 13 41.675 0.400 . 1 . . . A 662 LEU CB . 34040 1 354 . 1 1 29 29 LEU CG C 13 26.881 0.400 . 1 . . . A 662 LEU CG . 34040 1 355 . 1 1 29 29 LEU CD1 C 13 24.066 0.400 . 2 . . . A 662 LEU CD1 . 34040 1 356 . 1 1 29 29 LEU CD2 C 13 24.681 0.400 . 2 . . . A 662 LEU CD2 . 34040 1 357 . 1 1 29 29 LEU N N 15 116.936 0.400 . 1 . . . A 662 LEU N . 34040 1 358 . 1 1 30 30 GLY H H 1 8.620 0.020 . 1 . . . A 663 GLY H . 34040 1 359 . 1 1 30 30 GLY HA2 H 1 3.733 0.020 . 2 . . . A 663 GLY HA2 . 34040 1 360 . 1 1 30 30 GLY HA3 H 1 3.637 0.020 . 2 . . . A 663 GLY HA3 . 34040 1 361 . 1 1 30 30 GLY C C 13 174.558 0.400 . 1 . . . A 663 GLY C . 34040 1 362 . 1 1 30 30 GLY CA C 13 47.536 0.400 . 1 . . . A 663 GLY CA . 34040 1 363 . 1 1 30 30 GLY N N 15 106.464 0.400 . 1 . . . A 663 GLY N . 34040 1 364 . 1 1 31 31 ILE H H 1 8.681 0.020 . 1 . . . A 664 ILE H . 34040 1 365 . 1 1 31 31 ILE HA H 1 3.769 0.020 . 1 . . . A 664 ILE HA . 34040 1 366 . 1 1 31 31 ILE HB H 1 2.031 0.020 . 1 . . . A 664 ILE HB . 34040 1 367 . 1 1 31 31 ILE HG12 H 1 1.955 0.020 . 2 . . . A 664 ILE HG12 . 34040 1 368 . 1 1 31 31 ILE HG13 H 1 1.030 0.020 . 2 . . . A 664 ILE HG13 . 34040 1 369 . 1 1 31 31 ILE HG21 H 1 0.973 0.020 . 1 . . . A 664 ILE HG21 . 34040 1 370 . 1 1 31 31 ILE HG22 H 1 0.973 0.020 . 1 . . . A 664 ILE HG22 . 34040 1 371 . 1 1 31 31 ILE HG23 H 1 0.973 0.020 . 1 . . . A 664 ILE HG23 . 34040 1 372 . 1 1 31 31 ILE HD11 H 1 0.807 0.020 . 1 . . . A 664 ILE HD11 . 34040 1 373 . 1 1 31 31 ILE HD12 H 1 0.807 0.020 . 1 . . . A 664 ILE HD12 . 34040 1 374 . 1 1 31 31 ILE HD13 H 1 0.807 0.020 . 1 . . . A 664 ILE HD13 . 34040 1 375 . 1 1 31 31 ILE C C 13 177.804 0.400 . 1 . . . A 664 ILE C . 34040 1 376 . 1 1 31 31 ILE CA C 13 65.467 0.400 . 1 . . . A 664 ILE CA . 34040 1 377 . 1 1 31 31 ILE CB C 13 37.521 0.400 . 1 . . . A 664 ILE CB . 34040 1 378 . 1 1 31 31 ILE CG1 C 13 29.076 0.400 . 1 . . . A 664 ILE CG1 . 34040 1 379 . 1 1 31 31 ILE CG2 C 13 17.438 0.400 . 1 . . . A 664 ILE CG2 . 34040 1 380 . 1 1 31 31 ILE CD1 C 13 13.526 0.400 . 1 . . . A 664 ILE CD1 . 34040 1 381 . 1 1 31 31 ILE N N 15 121.081 0.400 . 1 . . . A 664 ILE N . 34040 1 382 . 1 1 32 32 GLY H H 1 8.581 0.020 . 1 . . . A 665 GLY H . 34040 1 383 . 1 1 32 32 GLY HA2 H 1 3.822 0.020 . 2 . . . A 665 GLY HA2 . 34040 1 384 . 1 1 32 32 GLY HA3 H 1 3.729 0.020 . 2 . . . A 665 GLY HA3 . 34040 1 385 . 1 1 32 32 GLY C C 13 174.930 0.400 . 1 . . . A 665 GLY C . 34040 1 386 . 1 1 32 32 GLY CA C 13 47.613 0.400 . 1 . . . A 665 GLY CA . 34040 1 387 . 1 1 32 32 GLY N N 15 107.217 0.400 . 1 . . . A 665 GLY N . 34040 1 388 . 1 1 33 33 LEU H H 1 8.559 0.020 . 1 . . . A 666 LEU H . 34040 1 389 . 1 1 33 33 LEU CA C 13 57.655 0.400 . 1 . . . A 666 LEU CA . 34040 1 390 . 1 1 33 33 LEU N N 15 120.738 0.400 . 1 . . . A 666 LEU N . 34040 1 391 . 1 1 34 34 PHE H H 1 8.293 0.020 . 1 . . . A 667 PHE H . 34040 1 392 . 1 1 34 34 PHE HA H 1 4.244 0.020 . 1 . . . A 667 PHE HA . 34040 1 393 . 1 1 34 34 PHE HB2 H 1 3.364 0.020 . 2 . . . A 667 PHE HB2 . 34040 1 394 . 1 1 34 34 PHE HB3 H 1 3.219 0.020 . 2 . . . A 667 PHE HB3 . 34040 1 395 . 1 1 34 34 PHE HD1 H 1 7.287 0.020 . 1 . . . A 667 PHE HD1 . 34040 1 396 . 1 1 34 34 PHE HD2 H 1 7.287 0.020 . 1 . . . A 667 PHE HD2 . 34040 1 397 . 1 1 34 34 PHE HE1 H 1 7.360 0.020 . 1 . . . A 667 PHE HE1 . 34040 1 398 . 1 1 34 34 PHE HE2 H 1 7.360 0.020 . 1 . . . A 667 PHE HE2 . 34040 1 399 . 1 1 34 34 PHE HZ H 1 7.346 0.020 . 1 . . . A 667 PHE HZ . 34040 1 400 . 1 1 34 34 PHE C C 13 177.433 0.400 . 1 . . . A 667 PHE C . 34040 1 401 . 1 1 34 34 PHE CA C 13 61.134 0.400 . 1 . . . A 667 PHE CA . 34040 1 402 . 1 1 34 34 PHE CB C 13 39.309 0.400 . 1 . . . A 667 PHE CB . 34040 1 403 . 1 1 34 34 PHE CD1 C 13 128.936 0.400 . 3 . . . A 667 PHE CD1 . 34040 1 404 . 1 1 34 34 PHE CE1 C 13 128.842 0.400 . 3 . . . A 667 PHE CE1 . 34040 1 405 . 1 1 34 34 PHE CZ C 13 127.252 0.400 . 1 . . . A 667 PHE CZ . 34040 1 406 . 1 1 34 34 PHE N N 15 119.333 0.400 . 1 . . . A 667 PHE N . 34040 1 407 . 1 1 35 35 MET H H 1 8.569 0.020 . 1 . . . A 668 MET H . 34040 1 408 . 1 1 35 35 MET HA H 1 4.132 0.020 . 1 . . . A 668 MET HA . 34040 1 409 . 1 1 35 35 MET HB2 H 1 2.294 0.020 . 2 . . . A 668 MET HB2 . 34040 1 410 . 1 1 35 35 MET HB3 H 1 2.213 0.020 . 2 . . . A 668 MET HB3 . 34040 1 411 . 1 1 35 35 MET HG2 H 1 2.745 0.020 . 2 . . . A 668 MET HG2 . 34040 1 412 . 1 1 35 35 MET HG3 H 1 2.887 0.020 . 2 . . . A 668 MET HG3 . 34040 1 413 . 1 1 35 35 MET HE1 H 1 2.135 0.020 . 1 . . . A 668 MET HE1 . 34040 1 414 . 1 1 35 35 MET HE2 H 1 2.135 0.020 . 1 . . . A 668 MET HE2 . 34040 1 415 . 1 1 35 35 MET HE3 H 1 2.135 0.020 . 1 . . . A 668 MET HE3 . 34040 1 416 . 1 1 35 35 MET C C 13 176.355 0.400 . 1 . . . A 668 MET C . 34040 1 417 . 1 1 35 35 MET CA C 13 57.715 0.400 . 1 . . . A 668 MET CA . 34040 1 418 . 1 1 35 35 MET CB C 13 32.498 0.400 . 1 . . . A 668 MET CB . 34040 1 419 . 1 1 35 35 MET CG C 13 32.714 0.400 . 1 . . . A 668 MET CG . 34040 1 420 . 1 1 35 35 MET CE C 13 16.735 0.400 . 1 . . . A 668 MET CE . 34040 1 421 . 1 1 35 35 MET N N 15 116.863 0.400 . 1 . . . A 668 MET N . 34040 1 422 . 1 1 36 36 ARG H H 1 7.822 0.020 . 1 . . . A 669 ARG H . 34040 1 423 . 1 1 36 36 ARG HB2 H 1 2.043 0.020 . 2 . . . A 669 ARG HB2 . 34040 1 424 . 1 1 36 36 ARG HB3 H 1 1.962 0.020 . 2 . . . A 669 ARG HB3 . 34040 1 425 . 1 1 36 36 ARG HG2 H 1 1.813 0.020 . 2 . . . A 669 ARG HG2 . 34040 1 426 . 1 1 36 36 ARG HG3 H 1 1.767 0.020 . 2 . . . A 669 ARG HG3 . 34040 1 427 . 1 1 36 36 ARG HD2 H 1 3.215 0.020 . 2 . . . A 669 ARG HD2 . 34040 1 428 . 1 1 36 36 ARG HD3 H 1 3.215 0.020 . 2 . . . A 669 ARG HD3 . 34040 1 429 . 1 1 36 36 ARG HE H 1 7.607 0.020 . 1 . . . A 669 ARG HE . 34040 1 430 . 1 1 36 36 ARG C C 13 177.606 0.400 . 1 . . . A 669 ARG C . 34040 1 431 . 1 1 36 36 ARG CA C 13 57.619 0.400 . 1 . . . A 669 ARG CA . 34040 1 432 . 1 1 36 36 ARG CB C 13 30.107 0.400 . 1 . . . A 669 ARG CB . 34040 1 433 . 1 1 36 36 ARG CG C 13 27.201 0.400 . 1 . . . A 669 ARG CG . 34040 1 434 . 1 1 36 36 ARG CD C 13 43.337 0.400 . 1 . . . A 669 ARG CD . 34040 1 435 . 1 1 36 36 ARG N N 15 118.917 0.400 . 1 . . . A 669 ARG N . 34040 1 436 . 1 1 36 36 ARG NE N 15 84.664 0.400 . 1 . . . A 669 ARG NE . 34040 1 437 . 1 1 37 37 ARG H H 1 7.898 0.020 . 1 . . . A 670 ARG H . 34040 1 438 . 1 1 37 37 ARG HA H 1 4.199 0.020 . 1 . . . A 670 ARG HA . 34040 1 439 . 1 1 37 37 ARG HB2 H 1 1.923 0.020 . 2 . . . A 670 ARG HB2 . 34040 1 440 . 1 1 37 37 ARG HB3 H 1 1.832 0.020 . 2 . . . A 670 ARG HB3 . 34040 1 441 . 1 1 37 37 ARG HG2 H 1 1.705 0.020 . 2 . . . A 670 ARG HG2 . 34040 1 442 . 1 1 37 37 ARG HG3 H 1 1.705 0.020 . 2 . . . A 670 ARG HG3 . 34040 1 443 . 1 1 37 37 ARG HD2 H 1 3.168 0.020 . 2 . . . A 670 ARG HD2 . 34040 1 444 . 1 1 37 37 ARG HD3 H 1 3.168 0.020 . 2 . . . A 670 ARG HD3 . 34040 1 445 . 1 1 37 37 ARG HE H 1 7.499 0.020 . 1 . . . A 670 ARG HE . 34040 1 446 . 1 1 37 37 ARG C C 13 176.315 0.400 . 1 . . . A 670 ARG C . 34040 1 447 . 1 1 37 37 ARG CA C 13 56.889 0.400 . 1 . . . A 670 ARG CA . 34040 1 448 . 1 1 37 37 ARG CB C 13 29.982 0.400 . 1 . . . A 670 ARG CB . 34040 1 449 . 1 1 37 37 ARG CG C 13 27.062 0.400 . 1 . . . A 670 ARG CG . 34040 1 450 . 1 1 37 37 ARG CD C 13 43.225 0.400 . 1 . . . A 670 ARG CD . 34040 1 451 . 1 1 37 37 ARG N N 15 118.654 0.400 . 1 . . . A 670 ARG N . 34040 1 452 . 1 1 37 37 ARG NE N 15 84.804 0.400 . 1 . . . A 670 ARG NE . 34040 1 453 . 1 1 38 38 ARG H H 1 7.848 0.020 . 1 . . . A 671 ARG H . 34040 1 454 . 1 1 38 38 ARG HA H 1 4.170 0.020 . 1 . . . A 671 ARG HA . 34040 1 455 . 1 1 38 38 ARG HB2 H 1 1.634 0.020 . 2 . . . A 671 ARG HB2 . 34040 1 456 . 1 1 38 38 ARG HB3 H 1 1.749 0.020 . 2 . . . A 671 ARG HB3 . 34040 1 457 . 1 1 38 38 ARG HG2 H 1 1.480 0.020 . 2 . . . A 671 ARG HG2 . 34040 1 458 . 1 1 38 38 ARG HG3 H 1 1.480 0.020 . 2 . . . A 671 ARG HG3 . 34040 1 459 . 1 1 38 38 ARG HD2 H 1 3.071 0.020 . 2 . . . A 671 ARG HD2 . 34040 1 460 . 1 1 38 38 ARG HD3 H 1 3.071 0.020 . 2 . . . A 671 ARG HD3 . 34040 1 461 . 1 1 38 38 ARG HE H 1 7.363 0.020 . 1 . . . A 671 ARG HE . 34040 1 462 . 1 1 38 38 ARG C C 13 175.896 0.400 . 1 . . . A 671 ARG C . 34040 1 463 . 1 1 38 38 ARG CA C 13 56.074 0.400 . 1 . . . A 671 ARG CA . 34040 1 464 . 1 1 38 38 ARG CB C 13 30.155 0.400 . 1 . . . A 671 ARG CB . 34040 1 465 . 1 1 38 38 ARG CG C 13 26.751 0.400 . 1 . . . A 671 ARG CG . 34040 1 466 . 1 1 38 38 ARG CD C 13 43.113 0.400 . 1 . . . A 671 ARG CD . 34040 1 467 . 1 1 38 38 ARG N N 15 119.087 0.400 . 1 . . . A 671 ARG N . 34040 1 468 . 1 1 39 39 HIS H H 1 8.088 0.020 . 1 . . . A 672 HIS H . 34040 1 469 . 1 1 39 39 HIS HA H 1 4.674 0.020 . 1 . . . A 672 HIS HA . 34040 1 470 . 1 1 39 39 HIS HB2 H 1 3.332 0.020 . 2 . . . A 672 HIS HB2 . 34040 1 471 . 1 1 39 39 HIS HB3 H 1 3.203 0.020 . 2 . . . A 672 HIS HB3 . 34040 1 472 . 1 1 39 39 HIS HD2 H 1 7.335 0.020 . 1 . . . A 672 HIS HD2 . 34040 1 473 . 1 1 39 39 HIS HE1 H 1 8.618 0.020 . 1 . . . A 672 HIS HE1 . 34040 1 474 . 1 1 39 39 HIS C C 13 174.494 0.400 . 1 . . . A 672 HIS C . 34040 1 475 . 1 1 39 39 HIS CA C 13 55.929 0.400 . 1 . . . A 672 HIS CA . 34040 1 476 . 1 1 39 39 HIS CB C 13 28.660 0.400 . 1 . . . A 672 HIS CB . 34040 1 477 . 1 1 39 39 HIS CD2 C 13 117.310 0.400 . 1 . . . A 672 HIS CD2 . 34040 1 478 . 1 1 39 39 HIS CE1 C 13 133.857 0.400 . 1 . . . A 672 HIS CE1 . 34040 1 479 . 1 1 39 39 HIS N N 15 118.817 0.400 . 1 . . . A 672 HIS N . 34040 1 480 . 1 1 40 40 ILE H H 1 7.917 0.020 . 1 . . . A 673 ILE H . 34040 1 481 . 1 1 40 40 ILE HA H 1 4.161 0.020 . 1 . . . A 673 ILE HA . 34040 1 482 . 1 1 40 40 ILE HB H 1 1.856 0.020 . 1 . . . A 673 ILE HB . 34040 1 483 . 1 1 40 40 ILE HG12 H 1 1.495 0.020 . 2 . . . A 673 ILE HG12 . 34040 1 484 . 1 1 40 40 ILE HG13 H 1 1.184 0.020 . 2 . . . A 673 ILE HG13 . 34040 1 485 . 1 1 40 40 ILE HG21 H 1 0.899 0.020 . 1 . . . A 673 ILE HG21 . 34040 1 486 . 1 1 40 40 ILE HG22 H 1 0.899 0.020 . 1 . . . A 673 ILE HG22 . 34040 1 487 . 1 1 40 40 ILE HG23 H 1 0.899 0.020 . 1 . . . A 673 ILE HG23 . 34040 1 488 . 1 1 40 40 ILE HD11 H 1 0.869 0.020 . 1 . . . A 673 ILE HD11 . 34040 1 489 . 1 1 40 40 ILE HD12 H 1 0.869 0.020 . 1 . . . A 673 ILE HD12 . 34040 1 490 . 1 1 40 40 ILE HD13 H 1 0.869 0.020 . 1 . . . A 673 ILE HD13 . 34040 1 491 . 1 1 40 40 ILE C C 13 175.497 0.400 . 1 . . . A 673 ILE C . 34040 1 492 . 1 1 40 40 ILE CA C 13 61.102 0.400 . 1 . . . A 673 ILE CA . 34040 1 493 . 1 1 40 40 ILE CB C 13 38.503 0.400 . 1 . . . A 673 ILE CB . 34040 1 494 . 1 1 40 40 ILE CG1 C 13 27.203 0.400 . 1 . . . A 673 ILE CG1 . 34040 1 495 . 1 1 40 40 ILE CG2 C 13 17.171 0.400 . 1 . . . A 673 ILE CG2 . 34040 1 496 . 1 1 40 40 ILE CD1 C 13 12.691 0.400 . 1 . . . A 673 ILE CD1 . 34040 1 497 . 1 1 40 40 ILE N N 15 121.502 0.400 . 1 . . . A 673 ILE N . 34040 1 498 . 1 1 41 41 VAL H H 1 8.045 0.020 . 1 . . . A 674 VAL H . 34040 1 499 . 1 1 41 41 VAL HA H 1 4.123 0.020 . 1 . . . A 674 VAL HA . 34040 1 500 . 1 1 41 41 VAL HB H 1 2.060 0.020 . 1 . . . A 674 VAL HB . 34040 1 501 . 1 1 41 41 VAL HG11 H 1 0.945 0.020 . 2 . . . A 674 VAL HG11 . 34040 1 502 . 1 1 41 41 VAL HG12 H 1 0.945 0.020 . 2 . . . A 674 VAL HG12 . 34040 1 503 . 1 1 41 41 VAL HG13 H 1 0.945 0.020 . 2 . . . A 674 VAL HG13 . 34040 1 504 . 1 1 41 41 VAL HG21 H 1 0.966 0.020 . 2 . . . A 674 VAL HG21 . 34040 1 505 . 1 1 41 41 VAL HG22 H 1 0.966 0.020 . 2 . . . A 674 VAL HG22 . 34040 1 506 . 1 1 41 41 VAL HG23 H 1 0.966 0.020 . 2 . . . A 674 VAL HG23 . 34040 1 507 . 1 1 41 41 VAL C C 13 175.438 0.400 . 1 . . . A 674 VAL C . 34040 1 508 . 1 1 41 41 VAL CA C 13 61.956 0.400 . 1 . . . A 674 VAL CA . 34040 1 509 . 1 1 41 41 VAL CG1 C 13 20.921 0.400 . 2 . . . A 674 VAL CG1 . 34040 1 510 . 1 1 41 41 VAL CG2 C 13 20.437 0.400 . 2 . . . A 674 VAL CG2 . 34040 1 511 . 1 1 41 41 VAL N N 15 123.358 0.400 . 1 . . . A 674 VAL N . 34040 1 512 . 1 1 42 42 ARG H H 1 8.261 0.020 . 1 . . . A 675 ARG H . 34040 1 513 . 1 1 42 42 ARG HA H 1 4.382 0.020 . 1 . . . A 675 ARG HA . 34040 1 514 . 1 1 42 42 ARG HB2 H 1 1.867 0.020 . 2 . . . A 675 ARG HB2 . 34040 1 515 . 1 1 42 42 ARG HB3 H 1 1.763 0.020 . 2 . . . A 675 ARG HB3 . 34040 1 516 . 1 1 42 42 ARG HG2 H 1 1.659 0.020 . 2 . . . A 675 ARG HG2 . 34040 1 517 . 1 1 42 42 ARG HG3 H 1 1.659 0.020 . 2 . . . A 675 ARG HG3 . 34040 1 518 . 1 1 42 42 ARG HD2 H 1 3.201 0.020 . 2 . . . A 675 ARG HD2 . 34040 1 519 . 1 1 42 42 ARG HD3 H 1 3.201 0.020 . 2 . . . A 675 ARG HD3 . 34040 1 520 . 1 1 42 42 ARG CA C 13 55.651 0.400 . 1 . . . A 675 ARG CA . 34040 1 521 . 1 1 42 42 ARG CB C 13 30.819 0.400 . 1 . . . A 675 ARG CB . 34040 1 522 . 1 1 42 42 ARG CG C 13 26.858 0.400 . 1 . . . A 675 ARG CG . 34040 1 523 . 1 1 42 42 ARG CD C 13 43.244 0.400 . 1 . . . A 675 ARG CD . 34040 1 524 . 1 1 42 42 ARG N N 15 125.104 0.400 . 1 . . . A 675 ARG N . 34040 1 525 . 1 1 43 43 LYS H H 1 8.297 0.020 . 1 . . . A 676 LYS H . 34040 1 526 . 1 1 43 43 LYS HA H 1 4.319 0.020 . 1 . . . A 676 LYS HA . 34040 1 527 . 1 1 43 43 LYS HB2 H 1 1.780 0.020 . 2 . . . A 676 LYS HB2 . 34040 1 528 . 1 1 43 43 LYS HB3 H 1 1.868 0.020 . 2 . . . A 676 LYS HB3 . 34040 1 529 . 1 1 43 43 LYS HG2 H 1 1.429 0.020 . 2 . . . A 676 LYS HG2 . 34040 1 530 . 1 1 43 43 LYS HG3 H 1 1.429 0.020 . 2 . . . A 676 LYS HG3 . 34040 1 531 . 1 1 43 43 LYS HD2 H 1 1.718 0.020 . 2 . . . A 676 LYS HD2 . 34040 1 532 . 1 1 43 43 LYS HD3 H 1 1.718 0.020 . 2 . . . A 676 LYS HD3 . 34040 1 533 . 1 1 43 43 LYS HE2 H 1 3.018 0.020 . 2 . . . A 676 LYS HE2 . 34040 1 534 . 1 1 43 43 LYS HE3 H 1 3.018 0.020 . 2 . . . A 676 LYS HE3 . 34040 1 535 . 1 1 43 43 LYS C C 13 175.110 0.400 . 1 . . . A 676 LYS C . 34040 1 536 . 1 1 43 43 LYS CA C 13 56.264 0.400 . 1 . . . A 676 LYS CA . 34040 1 537 . 1 1 43 43 LYS CB C 13 32.899 0.400 . 1 . . . A 676 LYS CB . 34040 1 538 . 1 1 43 43 LYS CG C 13 24.513 0.400 . 1 . . . A 676 LYS CG . 34040 1 539 . 1 1 43 43 LYS CD C 13 28.831 0.400 . 1 . . . A 676 LYS CD . 34040 1 540 . 1 1 43 43 LYS CE C 13 42.099 0.400 . 1 . . . A 676 LYS CE . 34040 1 541 . 1 1 43 43 LYS N N 15 123.699 0.400 . 1 . . . A 676 LYS N . 34040 1 542 . 1 1 44 44 ARG H H 1 7.926 0.020 . 1 . . . A 677 ARG H . 34040 1 543 . 1 1 44 44 ARG HA H 1 4.177 0.020 . 1 . . . A 677 ARG HA . 34040 1 544 . 1 1 44 44 ARG HB2 H 1 1.854 0.020 . 2 . . . A 677 ARG HB2 . 34040 1 545 . 1 1 44 44 ARG HB3 H 1 1.737 0.020 . 2 . . . A 677 ARG HB3 . 34040 1 546 . 1 1 44 44 ARG HG2 H 1 1.627 0.020 . 2 . . . A 677 ARG HG2 . 34040 1 547 . 1 1 44 44 ARG HG3 H 1 1.627 0.020 . 2 . . . A 677 ARG HG3 . 34040 1 548 . 1 1 44 44 ARG HD2 H 1 3.211 0.020 . 2 . . . A 677 ARG HD2 . 34040 1 549 . 1 1 44 44 ARG HD3 H 1 3.211 0.020 . 2 . . . A 677 ARG HD3 . 34040 1 550 . 1 1 44 44 ARG CA C 13 57.184 0.400 . 1 . . . A 677 ARG CA . 34040 1 551 . 1 1 44 44 ARG CB C 13 31.426 0.400 . 1 . . . A 677 ARG CB . 34040 1 552 . 1 1 44 44 ARG CG C 13 26.980 0.400 . 1 . . . A 677 ARG CG . 34040 1 553 . 1 1 44 44 ARG CD C 13 43.170 0.400 . 1 . . . A 677 ARG CD . 34040 1 554 . 1 1 44 44 ARG N N 15 127.674 0.400 . 1 . . . A 677 ARG N . 34040 1 stop_ save_