data_30031 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30031 _Entry.Title ; Solution Structure of the Microtubule-Targeting COS Domain of MID1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-03-05 _Entry.Accession_date 2016-03-05 _Entry.Last_release_date 2016-07-06 _Entry.Original_release_date 2016-07-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 K. Wright K. M. . . 30031 2 H. Du H. . . . 30031 3 M. Dagnachew M. . . . 30031 4 M. Massiah M. A. . . 30031 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID helix-loop-helix . 30031 microtubules . 30031 spectrin . 30031 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30031 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 231 30031 '15N chemical shifts' 52 30031 '1H chemical shifts' 379 30031 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 . . 2016-11-17 2016-03-05 update BMRB 'update entry citation' 30031 1 . . 2016-07-06 2016-03-05 original author 'original release' 30031 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5IM8 'BMRB Entry Tracking System' 30031 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30031 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27367845 _Citation.Full_citation . _Citation.Title ; Solution structure of the microtubule-targeting COS domain of MID1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS J.' _Citation.Journal_name_full . _Citation.Journal_volume 283 _Citation.Journal_issue 16 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 3089 _Citation.Page_last 3102 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 K. Wright K. M. . . 30031 1 2 H. Du H. . . . 30031 1 3 M. Dagnachew M. . . . 30031 1 4 M. Massiha M. A. . . 30031 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30031 _Assembly.ID 1 _Assembly.Name 'E3 ubiquitin-protein ligase Midline-1 (E.C.6.3.2.-)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30031 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30031 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; LKENDHARFLQTAKNITERV SMATASSQVLIPEINLNDTF DTFALDFSREKKLLECLDYL ; _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 60 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'COS Domain (UNP residues 320-379)' _Entity.Mutation . _Entity.EC_number 6.3.2.- _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6926.834 _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 Midin na 30031 1 'Putative transcription factor XPRF' na 30031 1 'RING finger protein 59' na 30031 1 'RING finger protein Midline-1' na 30031 1 'Tripartite motif-containing protein 18' na 30031 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 1 LEU . 30031 1 2 2 LYS . 30031 1 3 3 GLU . 30031 1 4 4 ASN . 30031 1 5 5 ASP . 30031 1 6 6 HIS . 30031 1 7 7 ALA . 30031 1 8 8 ARG . 30031 1 9 9 PHE . 30031 1 10 10 LEU . 30031 1 11 11 GLN . 30031 1 12 12 THR . 30031 1 13 13 ALA . 30031 1 14 14 LYS . 30031 1 15 15 ASN . 30031 1 16 16 ILE . 30031 1 17 17 THR . 30031 1 18 18 GLU . 30031 1 19 19 ARG . 30031 1 20 20 VAL . 30031 1 21 21 SER . 30031 1 22 22 MET . 30031 1 23 23 ALA . 30031 1 24 24 THR . 30031 1 25 25 ALA . 30031 1 26 26 SER . 30031 1 27 27 SER . 30031 1 28 28 GLN . 30031 1 29 29 VAL . 30031 1 30 30 LEU . 30031 1 31 31 ILE . 30031 1 32 32 PRO . 30031 1 33 33 GLU . 30031 1 34 34 ILE . 30031 1 35 35 ASN . 30031 1 36 36 LEU . 30031 1 37 37 ASN . 30031 1 38 38 ASP . 30031 1 39 39 THR . 30031 1 40 40 PHE . 30031 1 41 41 ASP . 30031 1 42 42 THR . 30031 1 43 43 PHE . 30031 1 44 44 ALA . 30031 1 45 45 LEU . 30031 1 46 46 ASP . 30031 1 47 47 PHE . 30031 1 48 48 SER . 30031 1 49 49 ARG . 30031 1 50 50 GLU . 30031 1 51 51 LYS . 30031 1 52 52 LYS . 30031 1 53 53 LEU . 30031 1 54 54 LEU . 30031 1 55 55 GLU . 30031 1 56 56 CYS . 30031 1 57 57 LEU . 30031 1 58 58 ASP . 30031 1 59 59 TYR . 30031 1 60 60 LEU . 30031 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 . LEU 1 1 30031 1 . LYS 2 2 30031 1 . GLU 3 3 30031 1 . ASN 4 4 30031 1 . ASP 5 5 30031 1 . HIS 6 6 30031 1 . ALA 7 7 30031 1 . ARG 8 8 30031 1 . PHE 9 9 30031 1 . LEU 10 10 30031 1 . GLN 11 11 30031 1 . THR 12 12 30031 1 . ALA 13 13 30031 1 . LYS 14 14 30031 1 . ASN 15 15 30031 1 . ILE 16 16 30031 1 . THR 17 17 30031 1 . GLU 18 18 30031 1 . ARG 19 19 30031 1 . VAL 20 20 30031 1 . SER 21 21 30031 1 . MET 22 22 30031 1 . ALA 23 23 30031 1 . THR 24 24 30031 1 . ALA 25 25 30031 1 . SER 26 26 30031 1 . SER 27 27 30031 1 . GLN 28 28 30031 1 . VAL 29 29 30031 1 . LEU 30 30 30031 1 . ILE 31 31 30031 1 . PRO 32 32 30031 1 . GLU 33 33 30031 1 . ILE 34 34 30031 1 . ASN 35 35 30031 1 . LEU 36 36 30031 1 . ASN 37 37 30031 1 . ASP 38 38 30031 1 . THR 39 39 30031 1 . PHE 40 40 30031 1 . ASP 41 41 30031 1 . THR 42 42 30031 1 . PHE 43 43 30031 1 . ALA 44 44 30031 1 . LEU 45 45 30031 1 . ASP 46 46 30031 1 . PHE 47 47 30031 1 . SER 48 48 30031 1 . ARG 49 49 30031 1 . GLU 50 50 30031 1 . LYS 51 51 30031 1 . LYS 52 52 30031 1 . LEU 53 53 30031 1 . LEU 54 54 30031 1 . GLU 55 55 30031 1 . CYS 56 56 30031 1 . LEU 57 57 30031 1 . ASP 58 58 30031 1 . TYR 59 59 30031 1 . LEU 60 60 30031 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 30031 _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 . . . . . . . . . . . 'MID1, FXY, RNF59, TRIM18, XPRF' . 30031 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 30031 _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 'BL21-Gold(DE3)pLysS AG'" . . 866768 . . . . . . . . . . . . 30031 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30031 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '50 mM TRIS, 10 mM beta-mercaptoethanol, 0.2 % sodium azide, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 . . . 1 $entity_1 . . . . . mM . . . . 30031 1 2 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 30031 1 3 beta-mercaptoethanol 'natural abundance' . . . . . . 10 . . mM . . . . 30031 1 4 'sodium azide' 'natural abundance' . . . . . . 0.2 . . % . . . . 30031 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 30031 _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 30031 1 pH 7.8 . pH 30031 1 pressure 1 . atm 30031 1 temperature 310 . K 30031 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30031 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30031 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30031 1 'structure calculation' 30031 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30031 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30031 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30031 2 'peak picking' 30031 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 30031 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model 'Agilent DD2 600 MHz' _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 30031 _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 Agilent 'Agilent DD2 600 MHz' . 600 . . . 30031 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 30031 _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 HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30031 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30031 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30031 1 4 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30031 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30031 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 30031 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30031 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30031 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30031 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 30031 _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 HNCACB' . . . 30031 1 2 '3D HNCO' . . . 30031 1 3 '3D 1H-15N NOESY' . . . 30031 1 4 '3D 1H-13C NOESY' . . . 30031 1 5 '3D HCCH-TOCSY' . . . 30031 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 30031 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 2 2 LYS H H 1 8.25 0.003 . 1 . . 1 A 2 LYS H . 30031 1 2 . 1 1 2 2 LYS HA H 1 4.29 0.004 . 1 . . 1 A 2 LYS HA . 30031 1 3 . 1 1 2 2 LYS HB2 H 1 1.90 0.003 . . . . 1 A 2 LYS HB2 . 30031 1 4 . 1 1 2 2 LYS HB3 H 1 1.90 0.003 . . . . 1 A 2 LYS HB3 . 30031 1 5 . 1 1 2 2 LYS HG2 H 1 2.24 0.002 . . . . 1 A 2 LYS HG2 . 30031 1 6 . 1 1 2 2 LYS HG3 H 1 2.24 0.002 . . . . 1 A 2 LYS HG3 . 30031 1 7 . 1 1 2 2 LYS HD2 H 1 1.74 0.003 . . . . 1 A 2 LYS HD2 . 30031 1 8 . 1 1 2 2 LYS HD3 H 1 1.74 0.003 . . . . 1 A 2 LYS HD3 . 30031 1 9 . 1 1 2 2 LYS C C 13 176.3 0.03 . 1 . . 1 A 2 LYS C . 30031 1 10 . 1 1 2 2 LYS CA C 13 56.86 0.03 . 1 . . 1 A 2 LYS CA . 30031 1 11 . 1 1 2 2 LYS CB C 13 32.79 0.04 . 1 . . 1 A 2 LYS CB . 30031 1 12 . 1 1 2 2 LYS CG C 13 24.85 0.02 . 1 . . 1 A 2 LYS CG . 30031 1 13 . 1 1 2 2 LYS CD C 13 29.20 0.02 . 1 . . 1 A 2 LYS CD . 30031 1 14 . 1 1 2 2 LYS N N 15 119.2 0.01 . 1 . . 1 A 2 LYS N . 30031 1 15 . 1 1 3 3 GLU H H 1 8.175 0.004 . 1 . . 1 A 3 GLU H . 30031 1 16 . 1 1 3 3 GLU HA H 1 4.52 0.002 . 1 . . 1 A 3 GLU HA . 30031 1 17 . 1 1 3 3 GLU HB2 H 1 2.061 0.004 . . . . 1 A 3 GLU HB2 . 30031 1 18 . 1 1 3 3 GLU HB3 H 1 2.061 0.004 . . . . 1 A 3 GLU HB3 . 30031 1 19 . 1 1 3 3 GLU HG2 H 1 2.241 0.002 . . . . 1 A 3 GLU HG2 . 30031 1 20 . 1 1 3 3 GLU HG3 H 1 2.241 0.002 . . . . 1 A 3 GLU HG3 . 30031 1 21 . 1 1 3 3 GLU C C 13 176 0.02 . 1 . . 1 A 3 GLU C . 30031 1 22 . 1 1 3 3 GLU CA C 13 56.87 0.03 . 1 . . 1 A 3 GLU CA . 30031 1 23 . 1 1 3 3 GLU CB C 13 29.93 0.03 . 1 . . 1 A 3 GLU CB . 30031 1 24 . 1 1 3 3 GLU CG C 13 36.56 0.03 . 1 . . 1 A 3 GLU CG . 30031 1 25 . 1 1 3 3 GLU N N 15 119.5 0.01 . 1 . . 1 A 3 GLU N . 30031 1 26 . 1 1 4 4 ASN H H 1 8.17 0.003 . 1 . . 1 A 4 ASN H . 30031 1 27 . 1 1 4 4 ASN HA H 1 4.68 0.004 . 1 . . 1 A 4 ASN HA . 30031 1 28 . 1 1 4 4 ASN HB2 H 1 2.79 0.002 . . . . 1 A 4 ASN HB2 . 30031 1 29 . 1 1 4 4 ASN HB3 H 1 2.79 0.002 . . . . 1 A 4 ASN HB3 . 30031 1 30 . 1 1 4 4 ASN C C 13 174.1 0.01 . 1 . . 1 A 4 ASN C . 30031 1 31 . 1 1 4 4 ASN CA C 13 53.36 0.04 . 1 . . 1 A 4 ASN CA . 30031 1 32 . 1 1 4 4 ASN CB C 13 39.67 0.03 . 1 . . 1 A 4 ASN CB . 30031 1 33 . 1 1 4 4 ASN N N 15 118.7 0.00 . 1 . . 1 A 4 ASN N . 30031 1 34 . 1 1 5 5 ASP H H 1 8.18 0.003 . 1 . . 1 A 5 ASP H . 30031 1 35 . 1 1 5 5 ASP HA H 1 4.80 0.003 . 1 . . 1 A 5 ASP HA . 30031 1 36 . 1 1 5 5 ASP HB2 H 1 2.73 0.003 . . . . 1 A 5 ASP HB2 . 30031 1 37 . 1 1 5 5 ASP HB3 H 1 2.63 0.002 . . . . 1 A 5 ASP HB3 . 30031 1 38 . 1 1 5 5 ASP C C 13 176.4 0.01 . 1 . . 1 A 5 ASP C . 30031 1 39 . 1 1 5 5 ASP CA C 13 54.56 0.03 . 1 . . 1 A 5 ASP CA . 30031 1 40 . 1 1 5 5 ASP CB C 13 41.28 0.01 . 1 . . 1 A 5 ASP CB . 30031 1 41 . 1 1 5 5 ASP N N 15 119.9 0.01 . 1 . . 1 A 5 ASP N . 30031 1 42 . 1 1 6 6 HIS H H 1 8.317 0.003 . 1 . . 1 A 6 HIS H . 30031 1 43 . 1 1 6 6 HIS HA H 1 4.38 0.003 . 1 . . 1 A 6 HIS HA . 30031 1 44 . 1 1 6 6 HIS HB2 H 1 3.364 0.003 . . . . 1 A 6 HIS HB2 . 30031 1 45 . 1 1 6 6 HIS HB3 H 1 3.25 0.002 . . . . 1 A 6 HIS HB3 . 30031 1 46 . 1 1 6 6 HIS C C 13 175.3 0.02 . 1 . . 1 A 6 HIS C . 30031 1 47 . 1 1 6 6 HIS CA C 13 56.02 0.02 . 1 . . 1 A 6 HIS CA . 30031 1 48 . 1 1 6 6 HIS CB C 13 29.10 0.01 . 1 . . 1 A 6 HIS CB . 30031 1 49 . 1 1 6 6 HIS N N 15 118.8 0.01 . 1 . . 1 A 6 HIS N . 30031 1 50 . 1 1 7 7 ALA H H 1 8.14 0.002 . 1 . . 1 A 7 ALA H . 30031 1 51 . 1 1 7 7 ALA HA H 1 4.16 0.001 . 1 . . 1 A 7 ALA HA . 30031 1 52 . 1 1 7 7 ALA HB1 H 1 1.47 0.001 . 1 . . 1 A 7 ALA HB1 . 30031 1 53 . 1 1 7 7 ALA HB2 H 1 1.47 0.001 . 1 . . 1 A 7 ALA HB2 . 30031 1 54 . 1 1 7 7 ALA HB3 H 1 1.47 0.001 . 1 . . 1 A 7 ALA HB3 . 30031 1 55 . 1 1 7 7 ALA C C 13 179.6 0.02 . 1 . . 1 A 7 ALA C . 30031 1 56 . 1 1 7 7 ALA CA C 13 54.85 0.02 . 1 . . 1 A 7 ALA CA . 30031 1 57 . 1 1 7 7 ALA CB C 13 18.70 0.01 . 1 . . 1 A 7 ALA CB . 30031 1 58 . 1 1 7 7 ALA N N 15 122.5 0.01 . 1 . . 1 A 7 ALA N . 30031 1 59 . 1 1 8 8 ARG H H 1 8.24 0.002 . 1 . . 1 A 8 ARG H . 30031 1 60 . 1 1 8 8 ARG HA H 1 4.19 0.003 . 1 . . 1 A 8 ARG HA . 30031 1 61 . 1 1 8 8 ARG HB2 H 1 1.89 0.003 . . . . 1 A 8 ARG HB2 . 30031 1 62 . 1 1 8 8 ARG HB3 H 1 1.89 0.003 . . . . 1 A 8 ARG HB3 . 30031 1 63 . 1 1 8 8 ARG HG2 H 1 1.56 0.004 . . . . 1 A 8 ARG HG2 . 30031 1 64 . 1 1 8 8 ARG HG3 H 1 1.56 0.004 . . . . 1 A 8 ARG HG3 . 30031 1 65 . 1 1 8 8 ARG HD2 H 1 3.17 0.003 . . . . 1 A 8 ARG HD2 . 30031 1 66 . 1 1 8 8 ARG C C 13 178.5 0.02 . 1 . . 1 A 8 ARG C . 30031 1 67 . 1 1 8 8 ARG CA C 13 58.63 0.02 . 1 . . 1 A 8 ARG CA . 30031 1 68 . 1 1 8 8 ARG CB C 13 29.59 0.01 . 1 . . 1 A 8 ARG CB . 30031 1 69 . 1 1 8 8 ARG CG C 13 27.01 0.01 . 1 . . 1 A 8 ARG CG . 30031 1 70 . 1 1 8 8 ARG CD C 13 43.76 0.02 . 1 . . 1 A 8 ARG CD . 30031 1 71 . 1 1 8 8 ARG N N 15 118.9 0.00 . 1 . . 1 A 8 ARG N . 30031 1 72 . 1 1 9 9 PHE H H 1 8.09 0.002 . 1 . . 1 A 9 PHE H . 30031 1 73 . 1 1 9 9 PHE HA H 1 4.34 0.001 . 1 . . 1 A 9 PHE HA . 30031 1 74 . 1 1 9 9 PHE HB2 H 1 3.31 0.002 . . . . 1 A 9 PHE HB2 . 30031 1 75 . 1 1 9 9 PHE HB3 H 1 3.20 0.002 . . . . 1 A 9 PHE HB3 . 30031 1 76 . 1 1 9 9 PHE HD1 H 1 7.208 0.004 . . . . 1 A 9 PHE HD1 . 30031 1 77 . 1 1 9 9 PHE HD2 H 1 7.208 0.004 . . . . 1 A 9 PHE HD2 . 30031 1 78 . 1 1 9 9 PHE HE1 H 1 6.708 0.00 . . . . 1 A 9 PHE HE1 . 30031 1 79 . 1 1 9 9 PHE HE2 H 1 6.708 0.00 . . . . 1 A 9 PHE HE2 . 30031 1 80 . 1 1 9 9 PHE C C 13 178.3 0.01 . 1 . . 1 A 9 PHE C . 30031 1 81 . 1 1 9 9 PHE CA C 13 60.76 0.02 . 1 . . 1 A 9 PHE CA . 30031 1 82 . 1 1 9 9 PHE CB C 13 39.11 0.03 . 1 . . 1 A 9 PHE CB . 30031 1 83 . 1 1 9 9 PHE CD1 C 13 130.27 0.05 . . . . 1 A 9 PHE CD1 . 30031 1 84 . 1 1 9 9 PHE CD2 C 13 130.27 0.05 . . . . 1 A 9 PHE CD2 . 30031 1 85 . 1 1 9 9 PHE CE1 C 13 129.43 0.05 . . . . 1 A 9 PHE CE1 . 30031 1 86 . 1 1 9 9 PHE CE2 C 13 129.43 0.05 . . . . 1 A 9 PHE CE2 . 30031 1 87 . 1 1 9 9 PHE N N 15 120.4 0.01 . 1 . . 1 A 9 PHE N . 30031 1 88 . 1 1 10 10 LEU H H 1 8.05 0.002 . 1 . . 1 A 10 LEU H . 30031 1 89 . 1 1 10 10 LEU HA H 1 3.91 0.003 . 1 . . 1 A 10 LEU HA . 30031 1 90 . 1 1 10 10 LEU HB2 H 1 1.82 0.004 . . . . 1 A 10 LEU HB2 . 30031 1 91 . 1 1 10 10 LEU HB3 H 1 1.66 0.004 . . . . 1 A 10 LEU HB3 . 30031 1 92 . 1 1 10 10 LEU HG H 1 1.68 0.003 . 1 . . 1 A 10 LEU HG . 30031 1 93 . 1 1 10 10 LEU HD11 H 1 1.02 0.002 . . . . 1 A 10 LEU HD11 . 30031 1 94 . 1 1 10 10 LEU HD12 H 1 1.02 0.002 . . . . 1 A 10 LEU HD12 . 30031 1 95 . 1 1 10 10 LEU HD13 H 1 1.02 0.002 . . . . 1 A 10 LEU HD13 . 30031 1 96 . 1 1 10 10 LEU HD21 H 1 0.958 0.001 . . . . 1 A 10 LEU HD21 . 30031 1 97 . 1 1 10 10 LEU HD22 H 1 0.958 0.001 . . . . 1 A 10 LEU HD22 . 30031 1 98 . 1 1 10 10 LEU HD23 H 1 0.958 0.001 . . . . 1 A 10 LEU HD23 . 30031 1 99 . 1 1 10 10 LEU C C 13 178.8 0.01 . 1 . . 1 A 10 LEU C . 30031 1 100 . 1 1 10 10 LEU CA C 13 57.61 0.02 . 1 . . 1 A 10 LEU CA . 30031 1 101 . 1 1 10 10 LEU CB C 13 41.58 0.02 . 1 . . 1 A 10 LEU CB . 30031 1 102 . 1 1 10 10 LEU CG C 13 27.14 0.03 . 1 . . 1 A 10 LEU CG . 30031 1 103 . 1 1 10 10 LEU CD1 C 13 24.97 0.03 . . . . 1 A 10 LEU CD1 . 30031 1 104 . 1 1 10 10 LEU CD2 C 13 23.56 0.03 . . . . 1 A 10 LEU CD2 . 30031 1 105 . 1 1 10 10 LEU N N 15 118.9 0.02 . 1 . . 1 A 10 LEU N . 30031 1 106 . 1 1 11 11 GLN H H 1 8.06 0.003 . 1 . . 1 A 11 GLN H . 30031 1 107 . 1 1 11 11 GLN HA H 1 3.99 0.002 . 1 . . 1 A 11 GLN HA . 30031 1 108 . 1 1 11 11 GLN HB2 H 1 2.18 0.004 . . . . 1 A 11 GLN HB2 . 30031 1 109 . 1 1 11 11 GLN HB3 H 1 2.18 0.004 . . . . 1 A 11 GLN HB3 . 30031 1 110 . 1 1 11 11 GLN HG2 H 1 2.41 0.005 . . . . 1 A 11 GLN HG2 . 30031 1 111 . 1 1 11 11 GLN HG3 H 1 2.41 0.005 . . . . 1 A 11 GLN HG3 . 30031 1 112 . 1 1 11 11 GLN C C 13 178.4 0.02 . 1 . . 1 A 11 GLN C . 30031 1 113 . 1 1 11 11 GLN CA C 13 58.74 0.02 . 1 . . 1 A 11 GLN CA . 30031 1 114 . 1 1 11 11 GLN CB C 13 28.50 0.03 . 1 . . 1 A 11 GLN CB . 30031 1 115 . 1 1 11 11 GLN CG C 13 34.05 0.04 . 1 . . 1 A 11 GLN CG . 30031 1 116 . 1 1 11 11 GLN N N 15 117.8 0.01 . 1 . . 1 A 11 GLN N . 30031 1 117 . 1 1 12 12 THR H H 1 7.97 0.002 . 1 . . 1 A 12 THR H . 30031 1 118 . 1 1 12 12 THR HA H 1 3.99 0.002 . 1 . . 1 A 12 THR HA . 30031 1 119 . 1 1 12 12 THR HB H 1 4.21 0.003 . 1 . . 1 A 12 THR HB . 30031 1 120 . 1 1 12 12 THR HG21 H 1 1.28 0.005 . 1 . . 1 A 12 THR HG21 . 30031 1 121 . 1 1 12 12 THR HG22 H 1 1.28 0.005 . 1 . . 1 A 12 THR HG22 . 30031 1 122 . 1 1 12 12 THR HG23 H 1 1.28 0.005 . 1 . . 1 A 12 THR HG23 . 30031 1 123 . 1 1 12 12 THR C C 13 175.8 0.01 . 1 . . 1 A 12 THR C . 30031 1 124 . 1 1 12 12 THR CA C 13 66.75 0.01 . 1 . . 1 A 12 THR CA . 30031 1 125 . 1 1 12 12 THR CB C 13 68.51 0.02 . 1 . . 1 A 12 THR CB . 30031 1 126 . 1 1 12 12 THR CG2 C 13 21.92 0.02 . 1 . . 1 A 12 THR CG2 . 30031 1 127 . 1 1 12 12 THR N N 15 117.3 0.00 . 1 . . 1 A 12 THR N . 30031 1 128 . 1 1 13 13 ALA H H 1 8.38 0.002 . 1 . . 1 A 13 ALA H . 30031 1 129 . 1 1 13 13 ALA HA H 1 3.82 0.002 . 1 . . 1 A 13 ALA HA . 30031 1 130 . 1 1 13 13 ALA HB1 H 1 1.30 0.001 . 1 . . 1 A 13 ALA HB1 . 30031 1 131 . 1 1 13 13 ALA HB2 H 1 1.30 0.001 . 1 . . 1 A 13 ALA HB2 . 30031 1 132 . 1 1 13 13 ALA HB3 H 1 1.30 0.001 . 1 . . 1 A 13 ALA HB3 . 30031 1 133 . 1 1 13 13 ALA C C 13 179.4 0.01 . 1 . . 1 A 13 ALA C . 30031 1 134 . 1 1 13 13 ALA CA C 13 55.61 0.01 . 1 . . 1 A 13 ALA CA . 30031 1 135 . 1 1 13 13 ALA CB C 13 18.03 0.02 . 1 . . 1 A 13 ALA CB . 30031 1 136 . 1 1 13 13 ALA N N 15 123 0.01 . 1 . . 1 A 13 ALA N . 30031 1 137 . 1 1 14 14 LYS H H 1 8.17 0.003 . 1 . . 1 A 14 LYS H . 30031 1 138 . 1 1 14 14 LYS HA H 1 4.01 0.003 . 1 . . 1 A 14 LYS HA . 30031 1 139 . 1 1 14 14 LYS HB2 H 1 1.94 0.004 . . . . 1 A 14 LYS HB2 . 30031 1 140 . 1 1 14 14 LYS HB3 H 1 1.94 0.004 . . . . 1 A 14 LYS HB3 . 30031 1 141 . 1 1 14 14 LYS HG2 H 1 1.47 0.005 . . . . 1 A 14 LYS HG2 . 30031 1 142 . 1 1 14 14 LYS HG3 H 1 1.47 0.005 . . . . 1 A 14 LYS HG3 . 30031 1 143 . 1 1 14 14 LYS HD2 H 1 1.68 0.006 . . . . 1 A 14 LYS HD2 . 30031 1 144 . 1 1 14 14 LYS HD3 H 1 1.68 0.005 . . . . 1 A 14 LYS HD3 . 30031 1 145 . 1 1 14 14 LYS HE2 H 1 2.97 0.006 . . . . 1 A 14 LYS HE2 . 30031 1 146 . 1 1 14 14 LYS HE3 H 1 2.97 0.006 . . . . 1 A 14 LYS HE3 . 30031 1 147 . 1 1 14 14 LYS C C 13 178.4 0.02 . 1 . . 1 A 14 LYS C . 30031 1 148 . 1 1 14 14 LYS CA C 13 59.44 0.02 . 1 . . 1 A 14 LYS CA . 30031 1 149 . 1 1 14 14 LYS CB C 13 32.13 0.03 . 1 . . 1 A 14 LYS CB . 30031 1 150 . 1 1 14 14 LYS CG C 13 24.97 0.03 . 1 . . 1 A 14 LYS CG . 30031 1 151 . 1 1 14 14 LYS CD C 13 29.20 0.04 . 1 . . 1 A 14 LYS CD . 30031 1 152 . 1 1 14 14 LYS CE C 13 42.33 0.04 . 1 . . 1 A 14 LYS CE . 30031 1 153 . 1 1 14 14 LYS N N 15 118.6 0.01 . 1 . . 1 A 14 LYS N . 30031 1 154 . 1 1 15 15 ASN H H 1 8.16 0.003 . 1 . . 1 A 15 ASN H . 30031 1 155 . 1 1 15 15 ASN HA H 1 4.47 0.001 . 1 . . 1 A 15 ASN HA . 30031 1 156 . 1 1 15 15 ASN HB2 H 1 3.16 0.001 . . . . 1 A 15 ASN HB2 . 30031 1 157 . 1 1 15 15 ASN HB3 H 1 2.96 0.001 . . . . 1 A 15 ASN HB3 . 30031 1 158 . 1 1 15 15 ASN HD21 H 1 7.60 0.003 . . . . 1 A 15 ASN HD21 . 30031 1 159 . 1 1 15 15 ASN HD22 H 1 6.92 0.003 . . . . 1 A 15 ASN HD22 . 30031 1 160 . 1 1 15 15 ASN C C 13 178.4 0.01 . 1 . . 1 A 15 ASN C . 30031 1 161 . 1 1 15 15 ASN CA C 13 55.91 0.02 . 1 . . 1 A 15 ASN CA . 30031 1 162 . 1 1 15 15 ASN CB C 13 38.12 0.02 . 1 . . 1 A 15 ASN CB . 30031 1 163 . 1 1 16 16 ILE H H 1 8.39 0.003 . 1 . . 1 A 16 ILE H . 30031 1 164 . 1 1 16 16 ILE HA H 1 3.74 0.002 . 1 . . 1 A 16 ILE HA . 30031 1 165 . 1 1 16 16 ILE HB H 1 2.01 0.003 . 1 . . 1 A 16 ILE HB . 30031 1 166 . 1 1 16 16 ILE HG12 H 1 1.88 0.003 . . . . 1 A 16 ILE HG12 . 30031 1 167 . 1 1 16 16 ILE HG13 H 1 1.21 0.003 . . . . 1 A 16 ILE HG13 . 30031 1 168 . 1 1 16 16 ILE HG21 H 1 0.90 0.005 . 1 . . 1 A 16 ILE HG21 . 30031 1 169 . 1 1 16 16 ILE HG22 H 1 0.90 0.005 . 1 . . 1 A 16 ILE HG22 . 30031 1 170 . 1 1 16 16 ILE HG23 H 1 0.90 0.005 . 1 . . 1 A 16 ILE HG23 . 30031 1 171 . 1 1 16 16 ILE HD11 H 1 0.82 0.005 . 1 . . 1 A 16 ILE HD11 . 30031 1 172 . 1 1 16 16 ILE HD12 H 1 0.82 0.005 . 1 . . 1 A 16 ILE HD12 . 30031 1 173 . 1 1 16 16 ILE HD13 H 1 0.82 0.005 . 1 . . 1 A 16 ILE HD13 . 30031 1 174 . 1 1 16 16 ILE C C 13 177.7 0.02 . 1 . . 1 A 16 ILE C . 30031 1 175 . 1 1 16 16 ILE CA C 13 65.3 0.01 . 1 . . 1 A 16 ILE CA . 30031 1 176 . 1 1 16 16 ILE CB C 13 37.92 0.02 . 1 . . 1 A 16 ILE CB . 30031 1 177 . 1 1 16 16 ILE CG1 C 13 29.2 0.02 . 1 . . 1 A 16 ILE CG1 . 30031 1 178 . 1 1 16 16 ILE CG2 C 13 17.69 0.03 . 1 . . 1 A 16 ILE CG2 . 30031 1 179 . 1 1 16 16 ILE CD1 C 13 13.84 0.03 . 1 . . 1 A 16 ILE CD1 . 30031 1 180 . 1 1 16 16 ILE N N 15 120.1 0.01 . 1 . . 1 A 16 ILE N . 30031 1 181 . 1 1 17 17 THR H H 1 8.23 0.002 . 1 . . 1 A 17 THR H . 30031 1 182 . 1 1 17 17 THR HA H 1 3.84 0.002 . 1 . . 1 A 17 THR HA . 30031 1 183 . 1 1 17 17 THR HB H 1 4.30 0.001 . 1 . . 1 A 17 THR HB . 30031 1 184 . 1 1 17 17 THR HG21 H 1 1.30 0.003 . 1 . . 1 A 17 THR HG21 . 30031 1 185 . 1 1 17 17 THR HG22 H 1 1.30 0.003 . 1 . . 1 A 17 THR HG22 . 30031 1 186 . 1 1 17 17 THR HG23 H 1 1.30 0.003 . 1 . . 1 A 17 THR HG23 . 30031 1 187 . 1 1 17 17 THR C C 13 177.1 0.01 . 1 . . 1 A 17 THR C . 30031 1 188 . 1 1 17 17 THR CA C 13 66.92 0.02 . 1 . . 1 A 17 THR CA . 30031 1 189 . 1 1 17 17 THR CB C 13 68.18 0.02 . 1 . . 1 A 17 THR CB . 30031 1 190 . 1 1 17 17 THR CG2 C 13 22.07 0.03 . 1 . . 1 A 17 THR CG2 . 30031 1 191 . 1 1 17 17 THR N N 15 113.7 0.00 . 1 . . 1 A 17 THR N . 30031 1 192 . 1 1 18 18 GLU H H 1 8.08 0.003 . 1 . . 1 A 18 GLU H . 30031 1 193 . 1 1 18 18 GLU HA H 1 4.12 0.002 . 1 . . 1 A 18 GLU HA . 30031 1 194 . 1 1 18 18 GLU HB2 H 1 2.19 0.003 . . . . 1 A 18 GLU HB2 . 30031 1 195 . 1 1 18 18 GLU HB3 H 1 2.19 0.003 . . . . 1 A 18 GLU HB3 . 30031 1 196 . 1 1 18 18 GLU HG2 H 1 2.43 0.004 . . . . 1 A 18 GLU HG2 . 30031 1 197 . 1 1 18 18 GLU HG3 H 1 2.43 0.004 . . . . 1 A 18 GLU HG3 . 30031 1 198 . 1 1 18 18 GLU C C 13 178.8 0.02 . 1 . . 1 A 18 GLU C . 30031 1 199 . 1 1 18 18 GLU CA C 13 59.44 0.03 . 1 . . 1 A 18 GLU CA . 30031 1 200 . 1 1 18 18 GLU CB C 13 29.8 0.03 . 1 . . 1 A 18 GLU CB . 30031 1 201 . 1 1 18 18 GLU CG C 13 36.06 0.03 . 1 . . 1 A 18 GLU CG . 30031 1 202 . 1 1 18 18 GLU N N 15 122 0.01 . 1 . . 1 A 18 GLU N . 30031 1 203 . 1 1 19 19 ARG H H 1 7.87 0.004 . 1 . . 1 A 19 ARG H . 30031 1 204 . 1 1 19 19 ARG HA H 1 4.17 0.003 . 1 . . 1 A 19 ARG HA . 30031 1 205 . 1 1 19 19 ARG HB2 H 1 2.193 0.003 . . . . 1 A 19 ARG HB2 . 30031 1 206 . 1 1 19 19 ARG HB3 H 1 2.193 0.003 . . . . 1 A 19 ARG HB3 . 30031 1 207 . 1 1 19 19 ARG HG2 H 1 1.84 0.004 . . . . 1 A 19 ARG HG2 . 30031 1 208 . 1 1 19 19 ARG HG3 H 1 1.84 0.004 . . . . 1 A 19 ARG HG3 . 30031 1 209 . 1 1 19 19 ARG HD2 H 1 3.19 0.003 . . . . 1 A 19 ARG HD2 . 30031 1 210 . 1 1 19 19 ARG HD3 H 1 3.19 0.003 . . . . 1 A 19 ARG HD3 . 30031 1 211 . 1 1 19 19 ARG C C 13 176.4 0.02 . 1 . . 1 A 19 ARG C . 30031 1 212 . 1 1 19 19 ARG CA C 13 58.93 0.03 . 1 . . 1 A 19 ARG CA . 30031 1 213 . 1 1 19 19 ARG CB C 13 30.22 0.04 . 1 . . 1 A 19 ARG CB . 30031 1 214 . 1 1 19 19 ARG CG C 13 27.41 0.04 . 1 . . 1 A 19 ARG CG . 30031 1 215 . 1 1 19 19 ARG CD C 13 43.29 0.03 . 1 . . 1 A 19 ARG CD . 30031 1 216 . 1 1 19 19 ARG N N 15 119.1 0.02 . 1 . . 1 A 19 ARG N . 30031 1 217 . 1 1 20 20 VAL H H 1 8.37 0.002 . 1 . . 1 A 20 VAL H . 30031 1 218 . 1 1 20 20 VAL HA H 1 3.71 0.003 . 1 . . 1 A 20 VAL HA . 30031 1 219 . 1 1 20 20 VAL HB H 1 2.20 0.003 . 1 . . 1 A 20 VAL HB . 30031 1 220 . 1 1 20 20 VAL HG11 H 1 1.04 0.004 . . . . 1 A 20 VAL HG11 . 30031 1 221 . 1 1 20 20 VAL HG12 H 1 1.04 0.004 . . . . 1 A 20 VAL HG12 . 30031 1 222 . 1 1 20 20 VAL HG13 H 1 1.04 0.004 . . . . 1 A 20 VAL HG13 . 30031 1 223 . 1 1 20 20 VAL HG21 H 1 0.95 0.005 . . . . 1 A 20 VAL HG21 . 30031 1 224 . 1 1 20 20 VAL HG22 H 1 0.95 0.005 . . . . 1 A 20 VAL HG22 . 30031 1 225 . 1 1 20 20 VAL HG23 H 1 0.95 0.005 . . . . 1 A 20 VAL HG23 . 30031 1 226 . 1 1 20 20 VAL C C 13 177.7 0.01 . 1 . . 1 A 20 VAL C . 30031 1 227 . 1 1 20 20 VAL CA C 13 65.98 0.03 . 1 . . 1 A 20 VAL CA . 30031 1 228 . 1 1 20 20 VAL CB C 13 31.92 0.04 . 1 . . 1 A 20 VAL CB . 30031 1 229 . 1 1 20 20 VAL CG1 C 13 22.71 0.03 . . . . 1 A 20 VAL CG1 . 30031 1 230 . 1 1 20 20 VAL CG2 C 13 21.68 0.03 . . . . 1 A 20 VAL CG2 . 30031 1 231 . 1 1 20 20 VAL N N 15 118.6 0.00 . 1 . . 1 A 20 VAL N . 30031 1 232 . 1 1 21 21 SER H H 1 8.29 0.003 . 1 . . 1 A 21 SER H . 30031 1 233 . 1 1 21 21 SER HA H 1 4.29 0.003 . 1 . . 1 A 21 SER HA . 30031 1 234 . 1 1 21 21 SER HB2 H 1 4.02 0.004 . . . . 1 A 21 SER HB2 . 30031 1 235 . 1 1 21 21 SER HB3 H 1 4.02 0.004 . . . . 1 A 21 SER HB3 . 30031 1 236 . 1 1 21 21 SER C C 13 176.5 0.02 . 1 . . 1 A 21 SER C . 30031 1 237 . 1 1 21 21 SER CA C 13 61.03 0.01 . 1 . . 1 A 21 SER CA . 30031 1 238 . 1 1 21 21 SER CB C 13 63.2 0.03 . 1 . . 1 A 21 SER CB . 30031 1 239 . 1 1 21 21 SER N N 15 116.1 0.01 . 1 . . 1 A 21 SER N . 30031 1 240 . 1 1 22 22 MET H H 1 7.99 0.003 . 1 . . 1 A 22 MET H . 30031 1 241 . 1 1 22 22 MET HA H 1 4.31 0.002 . 1 . . 1 A 22 MET HA . 30031 1 242 . 1 1 22 22 MET HB2 H 1 2.22 0.004 . . . . 1 A 22 MET HB2 . 30031 1 243 . 1 1 22 22 MET HB3 H 1 2.22 0.004 . . . . 1 A 22 MET HB3 . 30031 1 244 . 1 1 22 22 MET HG2 H 1 2.768 0.004 . . . . 1 A 22 MET HG2 . 30031 1 245 . 1 1 22 22 MET HG3 H 1 2.62 0.004 . . . . 1 A 22 MET HG3 . 30031 1 246 . 1 1 22 22 MET HE1 H 1 1.55 0.005 . 1 . . 1 A 22 MET HE1 . 30031 1 247 . 1 1 22 22 MET HE2 H 1 1.55 0.005 . 1 . . 1 A 22 MET HE2 . 30031 1 248 . 1 1 22 22 MET HE3 H 1 1.55 0.005 . 1 . . 1 A 22 MET HE3 . 30031 1 249 . 1 1 22 22 MET C C 13 177.9 0.01 . 1 . . 1 A 22 MET C . 30031 1 250 . 1 1 22 22 MET CA C 13 57.6 0.02 . 1 . . 1 A 22 MET CA . 30031 1 251 . 1 1 22 22 MET CB C 13 32.87 0.03 . 1 . . 1 A 22 MET CB . 30031 1 252 . 1 1 22 22 MET CG C 13 32.25 0.04 . 1 . . 1 A 22 MET CG . 30031 1 253 . 1 1 22 22 MET N N 15 120 0.00 . 1 . . 1 A 22 MET N . 30031 1 254 . 1 1 23 23 ALA H H 1 8.01 0.002 . 1 . . 1 A 23 ALA H . 30031 1 255 . 1 1 23 23 ALA HA H 1 4.31 0.002 . 1 . . 1 A 23 ALA HA . 30031 1 256 . 1 1 23 23 ALA HB1 H 1 1.56 0.003 . 1 . . 1 A 23 ALA HB1 . 30031 1 257 . 1 1 23 23 ALA HB2 H 1 1.56 0.003 . 1 . . 1 A 23 ALA HB2 . 30031 1 258 . 1 1 23 23 ALA HB3 H 1 1.56 0.003 . 1 . . 1 A 23 ALA HB3 . 30031 1 259 . 1 1 23 23 ALA C C 13 179.3 0.02 . 1 . . 1 A 23 ALA C . 30031 1 260 . 1 1 23 23 ALA CA C 13 54.33 0.03 . 1 . . 1 A 23 ALA CA . 30031 1 261 . 1 1 23 23 ALA CB C 13 19.18 0.03 . 1 . . 1 A 23 ALA CB . 30031 1 262 . 1 1 23 23 ALA N N 15 122.4 0.01 . 1 . . 1 A 23 ALA N . 30031 1 263 . 1 1 24 24 THR H H 1 8.10 0.003 . 1 . . 1 A 24 THR H . 30031 1 264 . 1 1 24 24 THR HA H 1 3.99 0.004 . 1 . . 1 A 24 THR HA . 30031 1 265 . 1 1 24 24 THR HB H 1 4.331 0.004 . 1 . . 1 A 24 THR HB . 30031 1 266 . 1 1 24 24 THR HG21 H 1 1.261 0.005 . 1 . . 1 A 24 THR HG21 . 30031 1 267 . 1 1 24 24 THR HG22 H 1 1.261 0.005 . 1 . . 1 A 24 THR HG22 . 30031 1 268 . 1 1 24 24 THR HG23 H 1 1.261 0.005 . 1 . . 1 A 24 THR HG23 . 30031 1 269 . 1 1 24 24 THR C C 13 176.1 0.03 . 1 . . 1 A 24 THR C . 30031 1 270 . 1 1 24 24 THR CA C 13 63.4 0.03 . 1 . . 1 A 24 THR CA . 30031 1 271 . 1 1 24 24 THR CB C 13 69.33 0.03 . 1 . . 1 A 24 THR CB . 30031 1 272 . 1 1 24 24 THR CG2 C 13 21.76 0.04 . 1 . . 1 A 24 THR CG2 . 30031 1 273 . 1 1 24 24 THR N N 15 109.7 0.02 . 1 . . 1 A 24 THR N . 30031 1 274 . 1 1 25 25 ALA H H 1 7.87 0.003 . 1 . . 1 A 25 ALA H . 30031 1 275 . 1 1 25 25 ALA HA H 1 4.29 0.002 . 1 . . 1 A 25 ALA HA . 30031 1 276 . 1 1 25 25 ALA HB1 H 1 1.52 0.004 . 1 . . 1 A 25 ALA HB1 . 30031 1 277 . 1 1 25 25 ALA HB2 H 1 1.52 0.004 . 1 . . 1 A 25 ALA HB2 . 30031 1 278 . 1 1 25 25 ALA HB3 H 1 1.52 0.004 . 1 . . 1 A 25 ALA HB3 . 30031 1 279 . 1 1 25 25 ALA C C 13 178.6 0.02 . 1 . . 1 A 25 ALA C . 30031 1 280 . 1 1 25 25 ALA CA C 13 52.93 0.02 . 1 . . 1 A 25 ALA CA . 30031 1 281 . 1 1 25 25 ALA CB C 13 18.90 0.03 . 1 . . 1 A 25 ALA CB . 30031 1 282 . 1 1 25 25 ALA N N 15 124.5 0.02 . 1 . . 1 A 25 ALA N . 30031 1 283 . 1 1 26 26 SER H H 1 7.96 0.002 . 1 . . 1 A 26 SER H . 30031 1 284 . 1 1 26 26 SER HA H 1 4.48 0.002 . 1 . . 1 A 26 SER HA . 30031 1 285 . 1 1 26 26 SER HB2 H 1 3.96 0.004 . . . . 1 A 26 SER HB2 . 30031 1 286 . 1 1 26 26 SER HB3 H 1 3.96 0.004 . . . . 1 A 26 SER HB3 . 30031 1 287 . 1 1 26 26 SER C C 13 174.7 0.01 . 1 . . 1 A 26 SER C . 30031 1 288 . 1 1 26 26 SER CA C 13 58.87 0.03 . 1 . . 1 A 26 SER CA . 30031 1 289 . 1 1 26 26 SER CB C 13 63.79 0.04 . 1 . . 1 A 26 SER CB . 30031 1 290 . 1 1 26 26 SER N N 15 112.3 0.00 . 1 . . 1 A 26 SER N . 30031 1 291 . 1 1 27 27 SER H H 1 7.98 0.003 . 1 . . 1 A 27 SER H . 30031 1 292 . 1 1 27 27 SER HA H 1 4.44 0.003 . 1 . . 1 A 27 SER HA . 30031 1 293 . 1 1 27 27 SER HB2 H 1 3.97 0.004 . . . . 1 A 27 SER HB2 . 30031 1 294 . 1 1 27 27 SER HB3 H 1 3.97 0.004 . . . . 1 A 27 SER HB3 . 30031 1 295 . 1 1 27 27 SER C C 13 174.2 0.01 . 1 . . 1 A 27 SER C . 30031 1 296 . 1 1 27 27 SER CA C 13 59.05 0.03 . 1 . . 1 A 27 SER CA . 30031 1 297 . 1 1 27 27 SER CB C 13 63.12 0.03 . 1 . . 1 A 27 SER CB . 30031 1 298 . 1 1 27 27 SER N N 15 116.2 0.01 . 1 . . 1 A 27 SER N . 30031 1 299 . 1 1 28 28 GLN H H 1 7.85 0.003 . 1 . . 1 A 28 GLN H . 30031 1 300 . 1 1 28 28 GLN HA H 1 4.39 0.003 . 1 . . 1 A 28 GLN HA . 30031 1 301 . 1 1 28 28 GLN HB2 H 1 2.14 0.002 . . . . 1 A 28 GLN HB2 . 30031 1 302 . 1 1 28 28 GLN HB3 H 1 2.02 0.002 . . . . 1 A 28 GLN HB3 . 30031 1 303 . 1 1 28 28 GLN HG2 H 1 2.43 0.004 . . . . 1 A 28 GLN HG2 . 30031 1 304 . 1 1 28 28 GLN HG3 H 1 2.43 0.004 . . . . 1 A 28 GLN HG3 . 30031 1 305 . 1 1 28 28 GLN C C 13 175.5 0.03 . 1 . . 1 A 28 GLN C . 30031 1 306 . 1 1 28 28 GLN CA C 13 56.17 0.03 . 1 . . 1 A 28 GLN CA . 30031 1 307 . 1 1 28 28 GLN CB C 13 29.37 0.04 . 1 . . 1 A 28 GLN CB . 30031 1 308 . 1 1 28 28 GLN CG C 13 34.05 0.04 . 1 . . 1 A 28 GLN CG . 30031 1 309 . 1 1 28 28 GLN N N 15 119.9 0.01 . 1 . . 1 A 28 GLN N . 30031 1 310 . 1 1 29 29 VAL H H 1 7.85 0.003 . 1 . . 1 A 29 VAL H . 30031 1 311 . 1 1 29 29 VAL HA H 1 4.12 0.004 . 1 . . 1 A 29 VAL HA . 30031 1 312 . 1 1 29 29 VAL HB H 1 2.03 0.004 . 1 . . 1 A 29 VAL HB . 30031 1 313 . 1 1 29 29 VAL HG11 H 1 0.95 0.006 . . . . 1 A 29 VAL HG11 . 30031 1 314 . 1 1 29 29 VAL HG12 H 1 0.95 0.006 . . . . 1 A 29 VAL HG12 . 30031 1 315 . 1 1 29 29 VAL HG13 H 1 0.95 0.006 . . . . 1 A 29 VAL HG13 . 30031 1 316 . 1 1 29 29 VAL HG21 H 1 0.916 0.006 . . . . 1 A 29 VAL HG21 . 30031 1 317 . 1 1 29 29 VAL HG22 H 1 0.916 0.006 . . . . 1 A 29 VAL HG22 . 30031 1 318 . 1 1 29 29 VAL HG23 H 1 0.916 0.006 . . . . 1 A 29 VAL HG23 . 30031 1 319 . 1 1 29 29 VAL C C 13 175.1 0.02 . 1 . . 1 A 29 VAL C . 30031 1 320 . 1 1 29 29 VAL CA C 13 62.21 0.01 . 1 . . 1 A 29 VAL CA . 30031 1 321 . 1 1 29 29 VAL CB C 13 32.89 0.03 . 1 . . 1 A 29 VAL CB . 30031 1 322 . 1 1 29 29 VAL CG1 C 13 21.33 0.03 . . . . 1 A 29 VAL CG1 . 30031 1 323 . 1 1 29 29 VAL CG2 C 13 20.78 0.04 . . . . 1 A 29 VAL CG2 . 30031 1 324 . 1 1 29 29 VAL N N 15 119.1 0.01 . 1 . . 1 A 29 VAL N . 30031 1 325 . 1 1 30 30 LEU H H 1 8.04 0.003 . 1 . . 1 A 30 LEU H . 30031 1 326 . 1 1 30 30 LEU HA H 1 4.42 0.004 . 1 . . 1 A 30 LEU HA . 30031 1 327 . 1 1 30 30 LEU HB2 H 1 1.63 0.004 . . . . 1 A 30 LEU HB2 . 30031 1 328 . 1 1 30 30 LEU HB3 H 1 1.54 0.004 . . . . 1 A 30 LEU HB3 . 30031 1 329 . 1 1 30 30 LEU HG H 1 1.63 0.005 . 1 . . 1 A 30 LEU HG . 30031 1 330 . 1 1 30 30 LEU HD11 H 1 0.93 0.006 . . . . 1 A 30 LEU HD11 . 30031 1 331 . 1 1 30 30 LEU HD12 H 1 0.93 0.006 . . . . 1 A 30 LEU HD12 . 30031 1 332 . 1 1 30 30 LEU HD13 H 1 0.93 0.006 . . . . 1 A 30 LEU HD13 . 30031 1 333 . 1 1 30 30 LEU HD21 H 1 0.84 0.006 . . . . 1 A 30 LEU HD21 . 30031 1 334 . 1 1 30 30 LEU HD22 H 1 0.84 0.006 . . . . 1 A 30 LEU HD22 . 30031 1 335 . 1 1 30 30 LEU HD23 H 1 0.84 0.006 . . . . 1 A 30 LEU HD23 . 30031 1 336 . 1 1 30 30 LEU C C 13 176 0.01 . 1 . . 1 A 30 LEU C . 30031 1 337 . 1 1 30 30 LEU CA C 13 54.92 0.02 . 1 . . 1 A 30 LEU CA . 30031 1 338 . 1 1 30 30 LEU CB C 13 42.90 0.03 . 1 . . 1 A 30 LEU CB . 30031 1 339 . 1 1 30 30 LEU CG C 13 27.15 0.04 . 1 . . 1 A 30 LEU CG . 30031 1 340 . 1 1 30 30 LEU CD1 C 13 24.97 0.04 . . . . 1 A 30 LEU CD1 . 30031 1 341 . 1 1 30 30 LEU CD2 C 13 23.95 0.03 . . . . 1 A 30 LEU CD2 . 30031 1 342 . 1 1 30 30 LEU N N 15 125.4 0.00 . 1 . . 1 A 30 LEU N . 30031 1 343 . 1 1 31 31 ILE H H 1 7.87 0.003 . 1 . . 1 A 31 ILE H . 30031 1 344 . 1 1 31 31 ILE HA H 1 4.34 0.002 . 1 . . 1 A 31 ILE HA . 30031 1 345 . 1 1 31 31 ILE HB H 1 1.93 0.003 . 1 . . 1 A 31 ILE HB . 30031 1 346 . 1 1 31 31 ILE HG12 H 1 1.58 0.004 . . . . 1 A 31 ILE HG12 . 30031 1 347 . 1 1 31 31 ILE HG13 H 1 1.19 0.003 . . . . 1 A 31 ILE HG13 . 30031 1 348 . 1 1 31 31 ILE HG21 H 1 0.98 0.005 . 1 . . 1 A 31 ILE HG21 . 30031 1 349 . 1 1 31 31 ILE HG22 H 1 0.98 0.005 . 1 . . 1 A 31 ILE HG22 . 30031 1 350 . 1 1 31 31 ILE HG23 H 1 0.98 0.005 . 1 . . 1 A 31 ILE HG23 . 30031 1 351 . 1 1 31 31 ILE HD11 H 1 0.86 0.006 . 1 . . 1 A 31 ILE HD11 . 30031 1 352 . 1 1 31 31 ILE HD12 H 1 0.86 0.006 . 1 . . 1 A 31 ILE HD12 . 30031 1 353 . 1 1 31 31 ILE HD13 H 1 0.86 0.006 . 1 . . 1 A 31 ILE HD13 . 30031 1 354 . 1 1 31 31 ILE CA C 13 58.87 0.02 . 1 . . 1 A 31 ILE CA . 30031 1 355 . 1 1 31 31 ILE CB C 13 38.14 0.04 . 1 . . 1 A 31 ILE CB . 30031 1 356 . 1 1 31 31 ILE CG1 C 13 27.29 0.03 . 1 . . 1 A 31 ILE CG1 . 30031 1 357 . 1 1 31 31 ILE CG2 C 13 17.06 0.04 . 1 . . 1 A 31 ILE CG2 . 30031 1 358 . 1 1 31 31 ILE CD1 C 13 12.68 0.03 . 1 . . 1 A 31 ILE CD1 . 30031 1 359 . 1 1 31 31 ILE N N 15 121 0.00 . 1 . . 1 A 31 ILE N . 30031 1 360 . 1 1 32 32 PRO HA H 1 4.27 0.003 . 1 . . 1 A 32 PRO HA . 30031 1 361 . 1 1 32 32 PRO HB2 H 1 2.28 0.003 . . . . 1 A 32 PRO HB2 . 30031 1 362 . 1 1 32 32 PRO HB3 H 1 1.91 0.004 . . . . 1 A 32 PRO HB3 . 30031 1 363 . 1 1 32 32 PRO HG2 H 1 2.02 0.005 . . . . 1 A 32 PRO HG2 . 30031 1 364 . 1 1 32 32 PRO HG3 H 1 1.89 0.004 . . . . 1 A 32 PRO HG3 . 30031 1 365 . 1 1 32 32 PRO HD2 H 1 3.87 0.003 . . . . 1 A 32 PRO HD2 . 30031 1 366 . 1 1 32 32 PRO HD3 H 1 3.57 0.003 . . . . 1 A 32 PRO HD3 . 30031 1 367 . 1 1 32 32 PRO C C 13 175.8 0.01 . 1 . . 1 A 32 PRO C . 30031 1 368 . 1 1 32 32 PRO CA C 13 63.04 0.02 . 1 . . 1 A 32 PRO CA . 30031 1 369 . 1 1 32 32 PRO CB C 13 32.28 0.03 . 1 . . 1 A 32 PRO CB . 30031 1 370 . 1 1 32 32 PRO CG C 13 27.1 0.04 . 1 . . 1 A 32 PRO CG . 30031 1 371 . 1 1 32 32 PRO CD C 13 50.76 0.04 . 1 . . 1 A 32 PRO CD . 30031 1 372 . 1 1 33 33 GLU H H 1 8.08 0.002 . 1 . . 1 A 33 GLU H . 30031 1 373 . 1 1 33 33 GLU HA H 1 4.27 0.003 . 1 . . 1 A 33 GLU HA . 30031 1 374 . 1 1 33 33 GLU HB2 H 1 2.01 0.003 . . . . 1 A 33 GLU HB2 . 30031 1 375 . 1 1 33 33 GLU HB3 H 1 1.93 0.002 . . . . 1 A 33 GLU HB3 . 30031 1 376 . 1 1 33 33 GLU HG2 H 1 2.31 0.004 . . . . 1 A 33 GLU HG2 . 30031 1 377 . 1 1 33 33 GLU HG3 H 1 2.19 0.003 . . . . 1 A 33 GLU HG3 . 30031 1 378 . 1 1 33 33 GLU C C 13 176.1 0.01 . 1 . . 1 A 33 GLU C . 30031 1 379 . 1 1 33 33 GLU CA C 13 56.33 0.03 . 1 . . 1 A 33 GLU CA . 30031 1 380 . 1 1 33 33 GLU CB C 13 29.80 0.03 . 1 . . 1 A 33 GLU CB . 30031 1 381 . 1 1 33 33 GLU CG C 13 36.40 0.04 . 1 . . 1 A 33 GLU CG . 30031 1 382 . 1 1 33 33 GLU N N 15 118.6 0.01 . 1 . . 1 A 33 GLU N . 30031 1 383 . 1 1 34 34 ILE H H 1 7.84 0.002 . 1 . . 1 A 34 ILE H . 30031 1 384 . 1 1 34 34 ILE HA H 1 4.20 0.001 . 1 . . 1 A 34 ILE HA . 30031 1 385 . 1 1 34 34 ILE HB H 1 1.79 0.003 . 1 . . 1 A 34 ILE HB . 30031 1 386 . 1 1 34 34 ILE HG12 H 1 1.45 0.003 . . . . 1 A 34 ILE HG12 . 30031 1 387 . 1 1 34 34 ILE HG13 H 1 1.10 0.002 . . . . 1 A 34 ILE HG13 . 30031 1 388 . 1 1 34 34 ILE HG21 H 1 0.85 0.004 . 1 . . 1 A 34 ILE HG21 . 30031 1 389 . 1 1 34 34 ILE HG22 H 1 0.85 0.004 . 1 . . 1 A 34 ILE HG22 . 30031 1 390 . 1 1 34 34 ILE HG23 H 1 0.85 0.004 . 1 . . 1 A 34 ILE HG23 . 30031 1 391 . 1 1 34 34 ILE HD11 H 1 0.81 0.006 . 1 . . 1 A 34 ILE HD11 . 30031 1 392 . 1 1 34 34 ILE HD12 H 1 0.81 0.006 . 1 . . 1 A 34 ILE HD12 . 30031 1 393 . 1 1 34 34 ILE HD13 H 1 0.81 0.006 . 1 . . 1 A 34 ILE HD13 . 30031 1 394 . 1 1 34 34 ILE C C 13 174.6 0.02 . 1 . . 1 A 34 ILE C . 30031 1 395 . 1 1 34 34 ILE CA C 13 60.57 0.03 . 1 . . 1 A 34 ILE CA . 30031 1 396 . 1 1 34 34 ILE CB C 13 39.76 0.04 . 1 . . 1 A 34 ILE CB . 30031 1 397 . 1 1 34 34 ILE CG1 C 13 27.24 0.02 . 1 . . 1 A 34 ILE CG1 . 30031 1 398 . 1 1 34 34 ILE CG2 C 13 17.46 0.03 . 1 . . 1 A 34 ILE CG2 . 30031 1 399 . 1 1 34 34 ILE CD1 C 13 13.58 0.04 . 1 . . 1 A 34 ILE CD1 . 30031 1 400 . 1 1 34 34 ILE N N 15 122 0.00 . 1 . . 1 A 34 ILE N . 30031 1 401 . 1 1 35 35 ASN H H 1 8.46 0.004 . 1 . . 1 A 35 ASN H . 30031 1 402 . 1 1 35 35 ASN HA H 1 4.85 0.001 . 1 . . 1 A 35 ASN HA . 30031 1 403 . 1 1 35 35 ASN HB2 H 1 2.94 0.002 . . . . 1 A 35 ASN HB2 . 30031 1 404 . 1 1 35 35 ASN HB3 H 1 2.69 0.002 . . . . 1 A 35 ASN HB3 . 30031 1 405 . 1 1 35 35 ASN HD21 H 1 7.56 0.004 . . . . 1 A 35 ASN HD21 . 30031 1 406 . 1 1 35 35 ASN HD22 H 1 6.92 0.003 . . . . 1 A 35 ASN HD22 . 30031 1 407 . 1 1 35 35 ASN C C 13 175.5 0.02 . 1 . . 1 A 35 ASN C . 30031 1 408 . 1 1 35 35 ASN CA C 13 52.48 0.03 . 1 . . 1 A 35 ASN CA . 30031 1 409 . 1 1 35 35 ASN CB C 13 39.35 0.01 . 1 . . 1 A 35 ASN CB . 30031 1 410 . 1 1 35 35 ASN N N 15 123 0.01 . 1 . . 1 A 35 ASN N . 30031 1 411 . 1 1 36 36 LEU H H 1 8.57 0.001 . 1 . . 1 A 36 LEU H . 30031 1 412 . 1 1 36 36 LEU HA H 1 4.16 0.001 . 1 . . 1 A 36 LEU HA . 30031 1 413 . 1 1 36 36 LEU HB2 H 1 1.68 0.003 . . . . 1 A 36 LEU HB2 . 30031 1 414 . 1 1 36 36 LEU HB3 H 1 1.54 0.003 . . . . 1 A 36 LEU HB3 . 30031 1 415 . 1 1 36 36 LEU HD11 H 1 0.92 0.005 . . . . 1 A 36 LEU HD11 . 30031 1 416 . 1 1 36 36 LEU HD12 H 1 0.92 0.005 . . . . 1 A 36 LEU HD12 . 30031 1 417 . 1 1 36 36 LEU HD13 H 1 0.92 0.005 . . . . 1 A 36 LEU HD13 . 30031 1 418 . 1 1 36 36 LEU HD21 H 1 0.834 0.005 . . . . 1 A 36 LEU HD21 . 30031 1 419 . 1 1 36 36 LEU HD22 H 1 0.834 0.005 . . . . 1 A 36 LEU HD22 . 30031 1 420 . 1 1 36 36 LEU HD23 H 1 0.834 0.005 . . . . 1 A 36 LEU HD23 . 30031 1 421 . 1 1 36 36 LEU C C 13 177.5 0.03 . 1 . . 1 A 36 LEU C . 30031 1 422 . 1 1 36 36 LEU CA C 13 56.55 0.04 . 1 . . 1 A 36 LEU CA . 30031 1 423 . 1 1 36 36 LEU CB C 13 42.09 0.03 . 1 . . 1 A 36 LEU CB . 30031 1 424 . 1 1 36 36 LEU CG C 13 27.14 0.03 . 1 . . 1 A 36 LEU CG . 30031 1 425 . 1 1 36 36 LEU CD1 C 13 25.5 0.04 . . . . 1 A 36 LEU CD1 . 30031 1 426 . 1 1 36 36 LEU CD2 C 13 23.56 0.02 . . . . 1 A 36 LEU CD2 . 30031 1 427 . 1 1 36 36 LEU N N 15 124.5 0.00 . 1 . . 1 A 36 LEU N . 30031 1 428 . 1 1 37 37 ASN H H 1 8.27 0.004 . 1 . . 1 A 37 ASN H . 30031 1 429 . 1 1 37 37 ASN HA H 1 4.46 0.003 . 1 . . 1 A 37 ASN HA . 30031 1 430 . 1 1 37 37 ASN HB2 H 1 3.24 0.002 . . . . 1 A 37 ASN HB2 . 30031 1 431 . 1 1 37 37 ASN HB3 H 1 2.84 0.002 . . . . 1 A 37 ASN HB3 . 30031 1 432 . 1 1 37 37 ASN HD21 H 1 7.64 0.004 . . . . 1 A 37 ASN HD21 . 30031 1 433 . 1 1 37 37 ASN HD22 H 1 6.91 0.005 . . . . 1 A 37 ASN HD22 . 30031 1 434 . 1 1 37 37 ASN C C 13 176 0.01 . 1 . . 1 A 37 ASN C . 30031 1 435 . 1 1 37 37 ASN CA C 13 55.43 0.02 . 1 . . 1 A 37 ASN CA . 30031 1 436 . 1 1 37 37 ASN CB C 13 38.79 0.04 . 1 . . 1 A 37 ASN CB . 30031 1 437 . 1 1 37 37 ASN N N 15 117.2 0.01 . 1 . . 1 A 37 ASN N . 30031 1 438 . 1 1 38 38 ASP H H 1 8.03 0.004 . 1 . . 1 A 38 ASP H . 30031 1 439 . 1 1 38 38 ASP HA H 1 4.54 0.004 . 1 . . 1 A 38 ASP HA . 30031 1 440 . 1 1 38 38 ASP HB2 H 1 2.71 0.005 . . . . 1 A 38 ASP HB2 . 30031 1 441 . 1 1 38 38 ASP HB3 H 1 2.71 0.005 . . . . 1 A 38 ASP HB3 . 30031 1 442 . 1 1 38 38 ASP C C 13 177.3 0.03 . 1 . . 1 A 38 ASP C . 30031 1 443 . 1 1 38 38 ASP CA C 13 55.67 0.02 . 1 . . 1 A 38 ASP CA . 30031 1 444 . 1 1 38 38 ASP CB C 13 40.82 0.04 . 1 . . 1 A 38 ASP CB . 30031 1 445 . 1 1 38 38 ASP N N 15 118.7 0.02 . 1 . . 1 A 38 ASP N . 30031 1 446 . 1 1 39 39 THR H H 1 7.85 0.001 . 1 . . 1 A 39 THR H . 30031 1 447 . 1 1 39 39 THR HA H 1 4.12 0.002 . 1 . . 1 A 39 THR HA . 30031 1 448 . 1 1 39 39 THR HB H 1 4.03 0.001 . 1 . . 1 A 39 THR HB . 30031 1 449 . 1 1 39 39 THR HG21 H 1 1.02 0.003 . 1 . . 1 A 39 THR HG21 . 30031 1 450 . 1 1 39 39 THR HG22 H 1 1.02 0.003 . 1 . . 1 A 39 THR HG22 . 30031 1 451 . 1 1 39 39 THR HG23 H 1 1.02 0.003 . 1 . . 1 A 39 THR HG23 . 30031 1 452 . 1 1 39 39 THR C C 13 175.2 0.03 . 1 . . 1 A 39 THR C . 30031 1 453 . 1 1 39 39 THR CA C 13 64.7 0.01 . 1 . . 1 A 39 THR CA . 30031 1 454 . 1 1 39 39 THR CB C 13 69.38 0.03 . 1 . . 1 A 39 THR CB . 30031 1 455 . 1 1 39 39 THR CG2 C 13 21.5 0.03 . 1 . . 1 A 39 THR CG2 . 30031 1 456 . 1 1 39 39 THR N N 15 114.6 0.00 . 1 . . 1 A 39 THR N . 30031 1 457 . 1 1 40 40 PHE H H 1 8.21 0.002 . 1 . . 1 A 40 PHE H . 30031 1 458 . 1 1 40 40 PHE HA H 1 4.49 0.003 . 1 . . 1 A 40 PHE HA . 30031 1 459 . 1 1 40 40 PHE HB2 H 1 3.27 0.004 . . . . 1 A 40 PHE HB2 . 30031 1 460 . 1 1 40 40 PHE HB3 H 1 3.07 0.003 . . . . 1 A 40 PHE HB3 . 30031 1 461 . 1 1 40 40 PHE HD1 H 1 7.24 0.00 . . . . 1 A 40 PHE HD1 . 30031 1 462 . 1 1 40 40 PHE HD2 H 1 7.24 0.00 . . . . 1 A 40 PHE HD2 . 30031 1 463 . 1 1 40 40 PHE HE1 H 1 7.46 0.00 . . . . 1 A 40 PHE HE1 . 30031 1 464 . 1 1 40 40 PHE HE2 H 1 7.46 0.00 . . . . 1 A 40 PHE HE2 . 30031 1 465 . 1 1 40 40 PHE HZ H 1 7.30 0.00 . 1 . . 1 A 40 PHE HZ . 30031 1 466 . 1 1 40 40 PHE C C 13 176.3 0.02 . 1 . . 1 A 40 PHE C . 30031 1 467 . 1 1 40 40 PHE CA C 13 59.04 0.03 . 1 . . 1 A 40 PHE CA . 30031 1 468 . 1 1 40 40 PHE CB C 13 38.90 0.02 . 1 . . 1 A 40 PHE CB . 30031 1 469 . 1 1 40 40 PHE CD1 C 13 131.89 0.05 . . . . 1 A 40 PHE CD1 . 30031 1 470 . 1 1 40 40 PHE CD2 C 13 131.89 0.05 . . . . 1 A 40 PHE CD2 . 30031 1 471 . 1 1 40 40 PHE CE1 C 13 130.03 0.06 . . . . 1 A 40 PHE CE1 . 30031 1 472 . 1 1 40 40 PHE CE2 C 13 130.03 0.06 . . . . 1 A 40 PHE CE2 . 30031 1 473 . 1 1 40 40 PHE N N 15 120.5 0.01 . 1 . . 1 A 40 PHE N . 30031 1 474 . 1 1 41 41 ASP H H 1 8.11 0.002 . 1 . . 1 A 41 ASP H . 30031 1 475 . 1 1 41 41 ASP HA H 1 4.52 0.003 . 1 . . 1 A 41 ASP HA . 30031 1 476 . 1 1 41 41 ASP HB2 H 1 2.80 0.003 . . . . 1 A 41 ASP HB2 . 30031 1 477 . 1 1 41 41 ASP HB3 H 1 2.72 0.004 . . . . 1 A 41 ASP HB3 . 30031 1 478 . 1 1 41 41 ASP C C 13 177.3 0.01 . 1 . . 1 A 41 ASP C . 30031 1 479 . 1 1 41 41 ASP CA C 13 56.03 0.02 . 1 . . 1 A 41 ASP CA . 30031 1 480 . 1 1 41 41 ASP CB C 13 41.14 0.02 . 1 . . 1 A 41 ASP CB . 30031 1 481 . 1 1 41 41 ASP N N 15 119.5 0.00 . 1 . . 1 A 41 ASP N . 30031 1 482 . 1 1 42 42 THR H H 1 7.83 0.003 . 1 . . 1 A 42 THR H . 30031 1 483 . 1 1 42 42 THR HA H 1 4.17 0.003 . 1 . . 1 A 42 THR HA . 30031 1 484 . 1 1 42 42 THR HB H 1 4.15 0.005 . 1 . . 1 A 42 THR HB . 30031 1 485 . 1 1 42 42 THR HG21 H 1 1.00 0.005 . 1 . . 1 A 42 THR HG21 . 30031 1 486 . 1 1 42 42 THR HG22 H 1 1.00 0.005 . 1 . . 1 A 42 THR HG22 . 30031 1 487 . 1 1 42 42 THR HG23 H 1 1.00 0.005 . 1 . . 1 A 42 THR HG23 . 30031 1 488 . 1 1 42 42 THR C C 13 174.7 0.02 . 1 . . 1 A 42 THR C . 30031 1 489 . 1 1 42 42 THR CA C 13 63.37 0.02 . 1 . . 1 A 42 THR CA . 30031 1 490 . 1 1 42 42 THR CB C 13 69.5 0.04 . 1 . . 1 A 42 THR CB . 30031 1 491 . 1 1 42 42 THR CG2 C 13 21.53 0.03 . 1 . . 1 A 42 THR CG2 . 30031 1 492 . 1 1 42 42 THR N N 15 112 0.00 . 1 . . 1 A 42 THR N . 30031 1 493 . 1 1 43 43 PHE H H 1 7.81 0.003 . 1 . . 1 A 43 PHE H . 30031 1 494 . 1 1 43 43 PHE HA H 1 4.53 0.002 . 1 . . 1 A 43 PHE HA . 30031 1 495 . 1 1 43 43 PHE HB2 H 1 3.14 0.002 . . . . 1 A 43 PHE HB2 . 30031 1 496 . 1 1 43 43 PHE HB3 H 1 3.05 0.004 . . . . 1 A 43 PHE HB3 . 30031 1 497 . 1 1 43 43 PHE HD1 H 1 7.247 0.00 . . . . 1 A 43 PHE HD1 . 30031 1 498 . 1 1 43 43 PHE HD2 H 1 7.247 0.00 . . . . 1 A 43 PHE HD2 . 30031 1 499 . 1 1 43 43 PHE HE1 H 1 7.071 0.00 . . . . 1 A 43 PHE HE1 . 30031 1 500 . 1 1 43 43 PHE HE2 H 1 7.071 0.00 . . . . 1 A 43 PHE HE2 . 30031 1 501 . 1 1 43 43 PHE C C 13 175 0.02 . 1 . . 1 A 43 PHE C . 30031 1 502 . 1 1 43 43 PHE CA C 13 58.58 0.02 . 1 . . 1 A 43 PHE CA . 30031 1 503 . 1 1 43 43 PHE CB C 13 39.76 0.03 . 1 . . 1 A 43 PHE CB . 30031 1 504 . 1 1 43 43 PHE CD1 C 13 131.89 0.05 . . . . 1 A 43 PHE CD1 . 30031 1 505 . 1 1 43 43 PHE CD2 C 13 131.89 0.05 . . . . 1 A 43 PHE CD2 . 30031 1 506 . 1 1 43 43 PHE CE1 C 13 130.03 0.05 . . . . 1 A 43 PHE CE1 . 30031 1 507 . 1 1 43 43 PHE CE2 C 13 130.03 0.05 . . . . 1 A 43 PHE CE2 . 30031 1 508 . 1 1 43 43 PHE N N 15 121.5 0.01 . 1 . . 1 A 43 PHE N . 30031 1 509 . 1 1 44 44 ALA H H 1 7.94 0.003 . 1 . . 1 A 44 ALA H . 30031 1 510 . 1 1 44 44 ALA HA H 1 4.23 0.003 . 1 . . 1 A 44 ALA HA . 30031 1 511 . 1 1 44 44 ALA HB1 H 1 1.27 0.005 . 1 . . 1 A 44 ALA HB1 . 30031 1 512 . 1 1 44 44 ALA HB2 H 1 1.27 0.005 . 1 . . 1 A 44 ALA HB2 . 30031 1 513 . 1 1 44 44 ALA HB3 H 1 1.27 0.005 . 1 . . 1 A 44 ALA HB3 . 30031 1 514 . 1 1 44 44 ALA C C 13 176.9 0.02 . 1 . . 1 A 44 ALA C . 30031 1 515 . 1 1 44 44 ALA CA C 13 52.62 0.03 . 1 . . 1 A 44 ALA CA . 30031 1 516 . 1 1 44 44 ALA CB C 13 19.25 0.01 . 1 . . 1 A 44 ALA CB . 30031 1 517 . 1 1 44 44 ALA N N 15 124.1 0.01 . 1 . . 1 A 44 ALA N . 30031 1 518 . 1 1 45 45 LEU H H 1 7.75 0.004 . 1 . . 1 A 45 LEU H . 30031 1 519 . 1 1 45 45 LEU HA H 1 4.16 0.002 . 1 . . 1 A 45 LEU HA . 30031 1 520 . 1 1 45 45 LEU HB2 H 1 1.57 0.002 . . . . 1 A 45 LEU HB2 . 30031 1 521 . 1 1 45 45 LEU HB3 H 1 1.35 0.002 . . . . 1 A 45 LEU HB3 . 30031 1 522 . 1 1 45 45 LEU HG H 1 1.60 0.004 . 1 . . 1 A 45 LEU HG . 30031 1 523 . 1 1 45 45 LEU HD11 H 1 0.865 0.00 . . . . 1 A 45 LEU HD11 . 30031 1 524 . 1 1 45 45 LEU HD12 H 1 0.865 0.00 . . . . 1 A 45 LEU HD12 . 30031 1 525 . 1 1 45 45 LEU HD13 H 1 0.865 0.00 . . . . 1 A 45 LEU HD13 . 30031 1 526 . 1 1 45 45 LEU HD21 H 1 0.865 0.00 . . . . 1 A 45 LEU HD21 . 30031 1 527 . 1 1 45 45 LEU HD22 H 1 0.865 0.00 . . . . 1 A 45 LEU HD22 . 30031 1 528 . 1 1 45 45 LEU HD23 H 1 0.865 0.00 . . . . 1 A 45 LEU HD23 . 30031 1 529 . 1 1 45 45 LEU C C 13 176.5 0.01 . 1 . . 1 A 45 LEU C . 30031 1 530 . 1 1 45 45 LEU CA C 13 55.21 0.02 . 1 . . 1 A 45 LEU CA . 30031 1 531 . 1 1 45 45 LEU CB C 13 42.19 0.04 . 1 . . 1 A 45 LEU CB . 30031 1 532 . 1 1 45 45 LEU CG C 13 27.55 0.03 . 1 . . 1 A 45 LEU CG . 30031 1 533 . 1 1 45 45 LEU CD1 C 13 25.52 0.02 . . . . 1 A 45 LEU CD1 . 30031 1 534 . 1 1 45 45 LEU CD2 C 13 23.47 0.04 . . . . 1 A 45 LEU CD2 . 30031 1 535 . 1 1 45 45 LEU N N 15 119.7 0.00 . 1 . . 1 A 45 LEU N . 30031 1 536 . 1 1 46 46 ASP H H 1 8.00 0.001 . 1 . . 1 A 46 ASP H . 30031 1 537 . 1 1 46 46 ASP HA H 1 4.61 0.002 . 1 . . 1 A 46 ASP HA . 30031 1 538 . 1 1 46 46 ASP HB2 H 1 2.67 0.004 . . . . 1 A 46 ASP HB2 . 30031 1 539 . 1 1 46 46 ASP HB3 H 1 2.59 0.003 . . . . 1 A 46 ASP HB3 . 30031 1 540 . 1 1 46 46 ASP C C 13 176.2 0.00 . 1 . . 1 A 46 ASP C . 30031 1 541 . 1 1 46 46 ASP CA C 13 53.81 0.03 . 1 . . 1 A 46 ASP CA . 30031 1 542 . 1 1 46 46 ASP CB C 13 41.3 0.04 . 1 . . 1 A 46 ASP CB . 30031 1 543 . 1 1 46 46 ASP N N 15 120.4 0.01 . 1 . . 1 A 46 ASP N . 30031 1 544 . 1 1 47 47 PHE H H 1 8.09 0.002 . 1 . . 1 A 47 PHE H . 30031 1 545 . 1 1 47 47 PHE HA H 1 4.58 0.003 . 1 . . 1 A 47 PHE HA . 30031 1 546 . 1 1 47 47 PHE HB2 H 1 3.22 0.004 . . . . 1 A 47 PHE HB2 . 30031 1 547 . 1 1 47 47 PHE HB3 H 1 3.04 0.004 . . . . 1 A 47 PHE HB3 . 30031 1 548 . 1 1 47 47 PHE HD1 H 1 7.251 0.00 . . . . 1 A 47 PHE HD1 . 30031 1 549 . 1 1 47 47 PHE HD2 H 1 7.251 0.00 . . . . 1 A 47 PHE HD2 . 30031 1 550 . 1 1 47 47 PHE HE1 H 1 6.99 0.00 . . . . 1 A 47 PHE HE1 . 30031 1 551 . 1 1 47 47 PHE HE2 H 1 6.99 0.00 . . . . 1 A 47 PHE HE2 . 30031 1 552 . 1 1 47 47 PHE C C 13 176 0.00 . 1 . . 1 A 47 PHE C . 30031 1 553 . 1 1 47 47 PHE CA C 13 58.37 0.02 . 1 . . 1 A 47 PHE CA . 30031 1 554 . 1 1 47 47 PHE CB C 13 38.98 0.04 . 1 . . 1 A 47 PHE CB . 30031 1 555 . 1 1 47 47 PHE CD1 C 13 130.27 0.05 . . . . 1 A 47 PHE CD1 . 30031 1 556 . 1 1 47 47 PHE CD2 C 13 130.27 0.05 . . . . 1 A 47 PHE CD2 . 30031 1 557 . 1 1 47 47 PHE CE1 C 13 129.43 0.05 . . . . 1 A 47 PHE CE1 . 30031 1 558 . 1 1 47 47 PHE CE2 C 13 129.43 0.05 . . . . 1 A 47 PHE CE2 . 30031 1 559 . 1 1 47 47 PHE N N 15 120.8 0.00 . 1 . . 1 A 47 PHE N . 30031 1 560 . 1 1 48 48 SER H H 1 8.24 0.003 . 1 . . 1 A 48 SER H . 30031 1 561 . 1 1 48 48 SER HA H 1 4.35 0.003 . 1 . . 1 A 48 SER HA . 30031 1 562 . 1 1 48 48 SER HB2 H 1 3.90 0.002 . . . . 1 A 48 SER HB2 . 30031 1 563 . 1 1 48 48 SER HB3 H 1 3.84 0.002 . . . . 1 A 48 SER HB3 . 30031 1 564 . 1 1 48 48 SER C C 13 175.3 0.03 . 1 . . 1 A 48 SER C . 30031 1 565 . 1 1 48 48 SER CA C 13 59.46 0.01 . 1 . . 1 A 48 SER CA . 30031 1 566 . 1 1 48 48 SER CB C 13 63.67 0.03 . 1 . . 1 A 48 SER CB . 30031 1 567 . 1 1 48 48 SER N N 15 116.3 0.00 . 1 . . 1 A 48 SER N . 30031 1 568 . 1 1 49 49 ARG H H 1 8.05 0.003 . 1 . . 1 A 49 ARG H . 30031 1 569 . 1 1 49 49 ARG HA H 1 4.29 0.002 . 1 . . 1 A 49 ARG HA . 30031 1 570 . 1 1 49 49 ARG HB2 H 1 1.87 0.004 . . . . 1 A 49 ARG HB2 . 30031 1 571 . 1 1 49 49 ARG HB3 H 1 1.87 0.004 . . . . 1 A 49 ARG HB3 . 30031 1 572 . 1 1 49 49 ARG HG2 H 1 1.65 0.005 . . . . 1 A 49 ARG HG2 . 30031 1 573 . 1 1 49 49 ARG HG3 H 1 1.65 0.005 . . . . 1 A 49 ARG HG3 . 30031 1 574 . 1 1 49 49 ARG HD2 H 1 3.22 0.005 . . . . 1 A 49 ARG HD2 . 30031 1 575 . 1 1 49 49 ARG HD3 H 1 3.22 0.005 . . . . 1 A 49 ARG HD3 . 30031 1 576 . 1 1 49 49 ARG C C 13 176.5 0.02 . 1 . . 1 A 49 ARG C . 30031 1 577 . 1 1 49 49 ARG CA C 13 56.92 0.02 . 1 . . 1 A 49 ARG CA . 30031 1 578 . 1 1 49 49 ARG CB C 13 30.15 0.03 . 1 . . 1 A 49 ARG CB . 30031 1 579 . 1 1 49 49 ARG CG C 13 27.55 0.04 . 1 . . 1 A 49 ARG CG . 30031 1 580 . 1 1 49 49 ARG CD C 13 43.25 0.04 . 1 . . 1 A 49 ARG CD . 30031 1 581 . 1 1 49 49 ARG N N 15 121.9 0.01 . 1 . . 1 A 49 ARG N . 30031 1 582 . 1 1 50 50 GLU H H 1 8.25 0.003 . 1 . . 1 A 50 GLU H . 30031 1 583 . 1 1 50 50 GLU HA H 1 4.15 0.002 . 1 . . 1 A 50 GLU HA . 30031 1 584 . 1 1 50 50 GLU HB2 H 1 2.13 0.004 . . . . 1 A 50 GLU HB2 . 30031 1 585 . 1 1 50 50 GLU HB3 H 1 1.93 0.005 . . . . 1 A 50 GLU HB3 . 30031 1 586 . 1 1 50 50 GLU HG2 H 1 2.33 0.006 . . . . 1 A 50 GLU HG2 . 30031 1 587 . 1 1 50 50 GLU HG3 H 1 2.33 0.006 . . . . 1 A 50 GLU HG3 . 30031 1 588 . 1 1 50 50 GLU C C 13 179.6 0.00 . 1 . . 1 A 50 GLU C . 30031 1 589 . 1 1 50 50 GLU CA C 13 58.14 0.03 . 1 . . 1 A 50 GLU CA . 30031 1 590 . 1 1 50 50 GLU CB C 13 29.92 0.04 . 1 . . 1 A 50 GLU CB . 30031 1 591 . 1 1 50 50 GLU N N 15 120 0.02 . 1 . . 1 A 50 GLU N . 30031 1 592 . 1 1 51 51 LYS H H 1 7.97 0.003 . 1 . . 1 A 51 LYS H . 30031 1 593 . 1 1 51 51 LYS HA H 1 4.30 0.005 . 1 . . 1 A 51 LYS HA . 30031 1 594 . 1 1 51 51 LYS HB2 H 1 1.89 0.006 . . . . 1 A 51 LYS HB2 . 30031 1 595 . 1 1 51 51 LYS HB3 H 1 1.89 0.006 . . . . 1 A 51 LYS HB3 . 30031 1 596 . 1 1 51 51 LYS HG2 H 1 1.68 0.004 . . . . 1 A 51 LYS HG2 . 30031 1 597 . 1 1 51 51 LYS HG3 H 1 1.68 0.004 . . . . 1 A 51 LYS HG3 . 30031 1 598 . 1 1 51 51 LYS HD2 H 1 1.466 0.006 . . . . 1 A 51 LYS HD2 . 30031 1 599 . 1 1 51 51 LYS HD3 H 1 1.466 0.006 . . . . 1 A 51 LYS HD3 . 30031 1 600 . 1 1 51 51 LYS HE2 H 1 2.99 0.006 . . . . 1 A 51 LYS HE2 . 30031 1 601 . 1 1 51 51 LYS HE3 H 1 2.99 0.006 . . . . 1 A 51 LYS HE3 . 30031 1 602 . 1 1 51 51 LYS C C 13 178.5 0.01 . 1 . . 1 A 51 LYS C . 30031 1 603 . 1 1 51 51 LYS CA C 13 56.93 0.04 . 1 . . 1 A 51 LYS CA . 30031 1 604 . 1 1 51 51 LYS CB C 13 32.35 0.03 . 1 . . 1 A 51 LYS CB . 30031 1 605 . 1 1 51 51 LYS CG C 13 25.27 0.05 . 1 . . 1 A 51 LYS CG . 30031 1 606 . 1 1 51 51 LYS CD C 13 29.26 0.05 . 1 . . 1 A 51 LYS CD . 30031 1 607 . 1 1 51 51 LYS CE C 13 42.54 0.06 . 1 . . 1 A 51 LYS CE . 30031 1 608 . 1 1 51 51 LYS N N 15 119.2 0.02 . 1 . . 1 A 51 LYS N . 30031 1 609 . 1 1 52 52 LYS H H 1 8.11 0.004 . 1 . . 1 A 52 LYS H . 30031 1 610 . 1 1 52 52 LYS HA H 1 4.27 0.003 . 1 . . 1 A 52 LYS HA . 30031 1 611 . 1 1 52 52 LYS HB2 H 1 1.89 0.00 . . . . 1 A 52 LYS HB2 . 30031 1 612 . 1 1 52 52 LYS HB3 H 1 1.89 0.00 . . . . 1 A 52 LYS HB3 . 30031 1 613 . 1 1 52 52 LYS HG2 H 1 1.68 0.00 . . . . 1 A 52 LYS HG2 . 30031 1 614 . 1 1 52 52 LYS HG3 H 1 1.68 0.00 . . . . 1 A 52 LYS HG3 . 30031 1 615 . 1 1 52 52 LYS HD2 H 1 1.49 0.004 . . . . 1 A 52 LYS HD2 . 30031 1 616 . 1 1 52 52 LYS HD3 H 1 1.49 0.004 . . . . 1 A 52 LYS HD3 . 30031 1 617 . 1 1 52 52 LYS HE2 H 1 2.99 0.00 . . . . 1 A 52 LYS HE2 . 30031 1 618 . 1 1 52 52 LYS HE3 H 1 2.99 0.00 . . . . 1 A 52 LYS HE3 . 30031 1 619 . 1 1 52 52 LYS C C 13 178.1 0.02 . 1 . . 1 A 52 LYS C . 30031 1 620 . 1 1 52 52 LYS CA C 13 57.14 0.04 . 1 . . 1 A 52 LYS CA . 30031 1 621 . 1 1 52 52 LYS CB C 13 32.39 0.03 . 1 . . 1 A 52 LYS CB . 30031 1 622 . 1 1 52 52 LYS CG C 13 24.86 0.05 . 1 . . 1 A 52 LYS CG . 30031 1 623 . 1 1 52 52 LYS CD C 13 28.78 0.05 . 1 . . 1 A 52 LYS CD . 30031 1 624 . 1 1 52 52 LYS N N 15 120.3 0.01 . 1 . . 1 A 52 LYS N . 30031 1 625 . 1 1 53 53 LEU H H 1 8.23 0.003 . 1 . . 1 A 53 LEU H . 30031 1 626 . 1 1 53 53 LEU HA H 1 4.01 0.003 . 1 . . 1 A 53 LEU HA . 30031 1 627 . 1 1 53 53 LEU HB2 H 1 1.74 0.005 . . . . 1 A 53 LEU HB2 . 30031 1 628 . 1 1 53 53 LEU HB3 H 1 1.74 0.005 . . . . 1 A 53 LEU HB3 . 30031 1 629 . 1 1 53 53 LEU HD11 H 1 0.91 0.006 . . . . 1 A 53 LEU HD11 . 30031 1 630 . 1 1 53 53 LEU HD12 H 1 0.91 0.006 . . . . 1 A 53 LEU HD12 . 30031 1 631 . 1 1 53 53 LEU HD13 H 1 0.91 0.006 . . . . 1 A 53 LEU HD13 . 30031 1 632 . 1 1 53 53 LEU HD21 H 1 0.91 0.006 . . . . 1 A 53 LEU HD21 . 30031 1 633 . 1 1 53 53 LEU HD22 H 1 0.91 0.006 . . . . 1 A 53 LEU HD22 . 30031 1 634 . 1 1 53 53 LEU HD23 H 1 0.91 0.006 . . . . 1 A 53 LEU HD23 . 30031 1 635 . 1 1 53 53 LEU C C 13 178.7 0.03 . 1 . . 1 A 53 LEU C . 30031 1 636 . 1 1 53 53 LEU CA C 13 58.6 0.02 . 1 . . 1 A 53 LEU CA . 30031 1 637 . 1 1 53 53 LEU CB C 13 41.56 0.04 . 1 . . 1 A 53 LEU CB . 30031 1 638 . 1 1 53 53 LEU CD1 C 13 24.78 0.03 . . . . 1 A 53 LEU CD1 . 30031 1 639 . 1 1 53 53 LEU N N 15 120.1 0.02 . 1 . . 1 A 53 LEU N . 30031 1 640 . 1 1 54 54 LEU H H 1 7.92 0.003 . 1 . . 1 A 54 LEU H . 30031 1 641 . 1 1 54 54 LEU HA H 1 4.06 0.00 . 1 . . 1 A 54 LEU HA . 30031 1 642 . 1 1 54 54 LEU HB2 H 1 1.88 0.002 . . . . 1 A 54 LEU HB2 . 30031 1 643 . 1 1 54 54 LEU HB3 H 1 1.65 0.004 . . . . 1 A 54 LEU HB3 . 30031 1 644 . 1 1 54 54 LEU HD11 H 1 0.91 0.00 . . . . 1 A 54 LEU HD11 . 30031 1 645 . 1 1 54 54 LEU HD12 H 1 0.91 0.00 . . . . 1 A 54 LEU HD12 . 30031 1 646 . 1 1 54 54 LEU HD13 H 1 0.91 0.00 . . . . 1 A 54 LEU HD13 . 30031 1 647 . 1 1 54 54 LEU HD21 H 1 0.91 0.00 . . . . 1 A 54 LEU HD21 . 30031 1 648 . 1 1 54 54 LEU HD22 H 1 0.91 0.00 . . . . 1 A 54 LEU HD22 . 30031 1 649 . 1 1 54 54 LEU HD23 H 1 0.91 0.00 . . . . 1 A 54 LEU HD23 . 30031 1 650 . 1 1 54 54 LEU C C 13 177.2 0.02 . 1 . . 1 A 54 LEU C . 30031 1 651 . 1 1 54 54 LEU CA C 13 58.06 0.04 . 1 . . 1 A 54 LEU CA . 30031 1 652 . 1 1 54 54 LEU CB C 13 41.23 0.00 . 1 . . 1 A 54 LEU CB . 30031 1 653 . 1 1 54 54 LEU N N 15 117.3 0.02 . 1 . . 1 A 54 LEU N . 30031 1 654 . 1 1 55 55 GLU H H 1 7.96 0.004 . 1 . . 1 A 55 GLU H . 30031 1 655 . 1 1 55 55 GLU HA H 1 4.25 0.003 . 1 . . 1 A 55 GLU HA . 30031 1 656 . 1 1 55 55 GLU HB2 H 1 1.88 0.004 . . . . 1 A 55 GLU HB2 . 30031 1 657 . 1 1 55 55 GLU HB3 H 1 1.88 0.004 . . . . 1 A 55 GLU HB3 . 30031 1 658 . 1 1 55 55 GLU HG2 H 1 2.27 0.004 . . . . 1 A 55 GLU HG2 . 30031 1 659 . 1 1 55 55 GLU HG3 H 1 2.27 0.004 . . . . 1 A 55 GLU HG3 . 30031 1 660 . 1 1 55 55 GLU CA C 13 58.68 0.03 . 1 . . 1 A 55 GLU CA . 30031 1 661 . 1 1 55 55 GLU CB C 13 29.9 0.04 . 1 . . 1 A 55 GLU CB . 30031 1 662 . 1 1 55 55 GLU N N 15 115.7 0.04 . 1 . . 1 A 55 GLU N . 30031 1 stop_ save_