data_6536 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6536 _Entry.Title ; 1H,15N,13C backbone and sidechain assignment for human ADAP hSH3-1 domain in reduced form ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-03-07 _Entry.Accession_date 2005-03-07 _Entry.Last_release_date 2015-05-08 _Entry.Original_release_date 2015-05-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.77 _Entry.Original_NMR_STAR_version 3.1.1.77 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Juergen Zimmermann . . . 6536 2 Christian Freund . . . 6536 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 na FMP . 6536 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6536 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 239 6536 '15N chemical shifts' 85 6536 '1H chemical shifts' 479 6536 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-05-08 . original BMRB . 6536 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2GTJ 'BMRB Entry Tracking System' 6536 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 6536 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; NMR assignment of the reduced and oxidized forms of the human ADAP hSH3-1 domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 32 _Citation.Journal_issue 1 _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 94 _Citation.Page_last 94 _Citation.Year 2005 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Juergen Zimmermann . . . 6536 1 2 Christian Freund . . . 6536 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6536 _Assembly.ID 1 _Assembly.Name 'hSH3-1 domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _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 'hSH3-1 domain' 1 $hSH3-1_domain . . yes native no no . . . 6536 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hSH3-1_domain _Entity.Sf_category entity _Entity.Sf_framecode hSH3-1_domain _Entity.Entry_ID 6536 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'hSH3-1 domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; EKKEQKEKEKKEQEIKKKFK LTGPIQVIHLAKACCDVKGG KNELSFKQGEQIEIIRITDN PEGKWLGRTARGSYGYIKTT AVEIDYDSLKLKKDLE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11861.6 _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 'SH3 domain' na 6536 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID SH3 6536 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 . GLU . 6536 1 2 . LYS . 6536 1 3 . LYS . 6536 1 4 . GLU . 6536 1 5 . GLN . 6536 1 6 . LYS . 6536 1 7 . GLU . 6536 1 8 . LYS . 6536 1 9 . GLU . 6536 1 10 . LYS . 6536 1 11 . LYS . 6536 1 12 . GLU . 6536 1 13 . GLN . 6536 1 14 . GLU . 6536 1 15 . ILE . 6536 1 16 . LYS . 6536 1 17 . LYS . 6536 1 18 . LYS . 6536 1 19 . PHE . 6536 1 20 . LYS . 6536 1 21 . LEU . 6536 1 22 . THR . 6536 1 23 . GLY . 6536 1 24 . PRO . 6536 1 25 . ILE . 6536 1 26 . GLN . 6536 1 27 . VAL . 6536 1 28 . ILE . 6536 1 29 . HIS . 6536 1 30 . LEU . 6536 1 31 . ALA . 6536 1 32 . LYS . 6536 1 33 . ALA . 6536 1 34 . CYS . 6536 1 35 . CYS . 6536 1 36 . ASP . 6536 1 37 . VAL . 6536 1 38 . LYS . 6536 1 39 . GLY . 6536 1 40 . GLY . 6536 1 41 . LYS . 6536 1 42 . ASN . 6536 1 43 . GLU . 6536 1 44 . LEU . 6536 1 45 . SER . 6536 1 46 . PHE . 6536 1 47 . LYS . 6536 1 48 . GLN . 6536 1 49 . GLY . 6536 1 50 . GLU . 6536 1 51 . GLN . 6536 1 52 . ILE . 6536 1 53 . GLU . 6536 1 54 . ILE . 6536 1 55 . ILE . 6536 1 56 . ARG . 6536 1 57 . ILE . 6536 1 58 . THR . 6536 1 59 . ASP . 6536 1 60 . ASN . 6536 1 61 . PRO . 6536 1 62 . GLU . 6536 1 63 . GLY . 6536 1 64 . LYS . 6536 1 65 . TRP . 6536 1 66 . LEU . 6536 1 67 . GLY . 6536 1 68 . ARG . 6536 1 69 . THR . 6536 1 70 . ALA . 6536 1 71 . ARG . 6536 1 72 . GLY . 6536 1 73 . SER . 6536 1 74 . TYR . 6536 1 75 . GLY . 6536 1 76 . TYR . 6536 1 77 . ILE . 6536 1 78 . LYS . 6536 1 79 . THR . 6536 1 80 . THR . 6536 1 81 . ALA . 6536 1 82 . VAL . 6536 1 83 . GLU . 6536 1 84 . ILE . 6536 1 85 . ASP . 6536 1 86 . TYR . 6536 1 87 . ASP . 6536 1 88 . SER . 6536 1 89 . LEU . 6536 1 90 . LYS . 6536 1 91 . LEU . 6536 1 92 . LYS . 6536 1 93 . LYS . 6536 1 94 . ASP . 6536 1 95 . LEU . 6536 1 96 . GLU . 6536 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 6536 1 . LYS 2 2 6536 1 . LYS 3 3 6536 1 . GLU 4 4 6536 1 . GLN 5 5 6536 1 . LYS 6 6 6536 1 . GLU 7 7 6536 1 . LYS 8 8 6536 1 . GLU 9 9 6536 1 . LYS 10 10 6536 1 . LYS 11 11 6536 1 . GLU 12 12 6536 1 . GLN 13 13 6536 1 . GLU 14 14 6536 1 . ILE 15 15 6536 1 . LYS 16 16 6536 1 . LYS 17 17 6536 1 . LYS 18 18 6536 1 . PHE 19 19 6536 1 . LYS 20 20 6536 1 . LEU 21 21 6536 1 . THR 22 22 6536 1 . GLY 23 23 6536 1 . PRO 24 24 6536 1 . ILE 25 25 6536 1 . GLN 26 26 6536 1 . VAL 27 27 6536 1 . ILE 28 28 6536 1 . HIS 29 29 6536 1 . LEU 30 30 6536 1 . ALA 31 31 6536 1 . LYS 32 32 6536 1 . ALA 33 33 6536 1 . CYS 34 34 6536 1 . CYS 35 35 6536 1 . ASP 36 36 6536 1 . VAL 37 37 6536 1 . LYS 38 38 6536 1 . GLY 39 39 6536 1 . GLY 40 40 6536 1 . LYS 41 41 6536 1 . ASN 42 42 6536 1 . GLU 43 43 6536 1 . LEU 44 44 6536 1 . SER 45 45 6536 1 . PHE 46 46 6536 1 . LYS 47 47 6536 1 . GLN 48 48 6536 1 . GLY 49 49 6536 1 . GLU 50 50 6536 1 . GLN 51 51 6536 1 . ILE 52 52 6536 1 . GLU 53 53 6536 1 . ILE 54 54 6536 1 . ILE 55 55 6536 1 . ARG 56 56 6536 1 . ILE 57 57 6536 1 . THR 58 58 6536 1 . ASP 59 59 6536 1 . ASN 60 60 6536 1 . PRO 61 61 6536 1 . GLU 62 62 6536 1 . GLY 63 63 6536 1 . LYS 64 64 6536 1 . TRP 65 65 6536 1 . LEU 66 66 6536 1 . GLY 67 67 6536 1 . ARG 68 68 6536 1 . THR 69 69 6536 1 . ALA 70 70 6536 1 . ARG 71 71 6536 1 . GLY 72 72 6536 1 . SER 73 73 6536 1 . TYR 74 74 6536 1 . GLY 75 75 6536 1 . TYR 76 76 6536 1 . ILE 77 77 6536 1 . LYS 78 78 6536 1 . THR 79 79 6536 1 . THR 80 80 6536 1 . ALA 81 81 6536 1 . VAL 82 82 6536 1 . GLU 83 83 6536 1 . ILE 84 84 6536 1 . ASP 85 85 6536 1 . TYR 86 86 6536 1 . ASP 87 87 6536 1 . SER 88 88 6536 1 . LEU 89 89 6536 1 . LYS 90 90 6536 1 . LEU 91 91 6536 1 . LYS 92 92 6536 1 . LYS 93 93 6536 1 . ASP 94 94 6536 1 . LEU 95 95 6536 1 . GLU 96 96 6536 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 6536 _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 $hSH3-1_domain . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . 'T cells' . . . . . . 6536 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 6536 _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 $hSH3-1_domain . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . 6536 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6536 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'SH3 domain' '[U-13C; U-15N]' . . 1 $hSH3-1_domain . . 1.0 . . mM 0.05 . . . 6536 1 2 NaCl . . . . . . . 20 . . mM . . . . 6536 1 3 Potassiumdihydrogenphosphate . . . . . . . 50 . . mM . . . . 6536 1 4 Dithtiothreitol . . . . . . . 10 . . mM . . . . 6536 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6536 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 0.05 pH 6536 1 temperature 300 1 K 6536 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 6536 _Software.ID 1 _Software.Name AZARA _Software.Version 2.0 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 6536 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 6536 _Software.ID 2 _Software.Name ANSIG _Software.Version 3.3 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 6536 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600_MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600_MHz _NMR_spectrometer.Entry_ID 6536 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6536 _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 15N_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 1 $600_MHz . . . . . . . . . . . . . . . . 6536 1 2 13C_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 1 $600_MHz . . . . . . . . . . . . . . . . 6536 1 3 HNCO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 1 $600_MHz . . . . . . . . . . . . . . . . 6536 1 4 2D_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 1 $600_MHz . . . . . . . . . . . . . . . . 6536 1 5 15N_HSQC no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 1 $600_MHz . . . . . . . . . . . . . . . . 6536 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6536 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6536 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6536 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6536 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6536 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 15N_NOESY 1 $sample_1 isotropic 6536 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 10 10 LYS H H 1 8.247 0.002 . 1 . . . . . LYS H . 6536 1 2 . 1 1 10 10 LYS N N 15 121.278 0.002 . 1 . . . . . LYS N . 6536 1 3 . 1 1 11 11 LYS C C 13 171.155 0.002 . 1 . . . . . LYS C . 6536 1 4 . 1 1 12 12 GLU H H 1 8.242 0.014 . 1 . . . . . GLU H . 6536 1 5 . 1 1 12 12 GLU HA H 1 3.849 0.001 . 1 . . . . . GLU HA . 6536 1 6 . 1 1 12 12 GLU HB2 H 1 1.974 0.019 . 2 . . . . . GLU HB2 . 6536 1 7 . 1 1 12 12 GLU HB3 H 1 2.128 0.002 . 2 . . . . . GLU HB3 . 6536 1 8 . 1 1 12 12 GLU C C 13 171.493 0.002 . 1 . . . . . GLU C . 6536 1 9 . 1 1 12 12 GLU N N 15 119.280 0.015 . 1 . . . . . GLU N . 6536 1 10 . 1 1 13 13 GLN H H 1 8.149 0.012 . 1 . . . . . GLN H . 6536 1 11 . 1 1 13 13 GLN HA H 1 4.091 0.018 . 1 . . . . . GLN HA . 6536 1 12 . 1 1 13 13 GLN HB2 H 1 2.063 0.017 . 1 . . . . . GLN HB . 6536 1 13 . 1 1 13 13 GLN HB3 H 1 2.063 0.017 . 1 . . . . . GLN HB . 6536 1 14 . 1 1 13 13 GLN CA C 13 58.762 0.247 . 1 . . . . . GLN CA . 6536 1 15 . 1 1 13 13 GLN CD C 13 171.700 0.002 . 1 . . . . . GLN CD . 6536 1 16 . 1 1 13 13 GLN N N 15 118.289 0.014 . 1 . . . . . GLN N . 6536 1 17 . 1 1 14 14 GLU H H 1 8.165 0.009 . 1 . . . . . GLU H . 6536 1 18 . 1 1 14 14 GLU HA H 1 4.064 0.038 . 1 . . . . . GLU HA . 6536 1 19 . 1 1 14 14 GLU HB2 H 1 2.165 0.039 . 2 . . . . . GLU HB2 . 6536 1 20 . 1 1 14 14 GLU HB3 H 1 2.158 0.023 . 2 . . . . . GLU HB3 . 6536 1 21 . 1 1 14 14 GLU C C 13 170.655 0.002 . 1 . . . . . GLU C . 6536 1 22 . 1 1 14 14 GLU CA C 13 58.903 0.073 . 1 . . . . . GLU CA . 6536 1 23 . 1 1 14 14 GLU CB C 13 29.286 0.102 . 1 . . . . . GLU CB . 6536 1 24 . 1 1 14 14 GLU N N 15 121.306 0.030 . 1 . . . . . GLU N . 6536 1 25 . 1 1 15 15 ILE H H 1 7.922 0.016 . 1 . . . . . ILE H . 6536 1 26 . 1 1 15 15 ILE HA H 1 3.689 0.028 . 1 . . . . . ILE HA . 6536 1 27 . 1 1 15 15 ILE HB H 1 1.798 0.011 . 1 . . . . . ILE HB . 6536 1 28 . 1 1 15 15 ILE HG12 H 1 1.144 0.022 . 2 . . . . . ILE HG12 . 6536 1 29 . 1 1 15 15 ILE HG13 H 1 1.264 0.010 . 2 . . . . . ILE HG13 . 6536 1 30 . 1 1 15 15 ILE HG21 H 1 0.613 0.034 . 1 . . . . . ILE HG2 . 6536 1 31 . 1 1 15 15 ILE HG22 H 1 0.613 0.034 . 1 . . . . . ILE HG2 . 6536 1 32 . 1 1 15 15 ILE HG23 H 1 0.613 0.034 . 1 . . . . . ILE HG2 . 6536 1 33 . 1 1 15 15 ILE HD11 H 1 0.363 0.014 . 1 . . . . . ILE HD1 . 6536 1 34 . 1 1 15 15 ILE HD12 H 1 0.363 0.014 . 1 . . . . . ILE HD1 . 6536 1 35 . 1 1 15 15 ILE HD13 H 1 0.363 0.014 . 1 . . . . . ILE HD1 . 6536 1 36 . 1 1 15 15 ILE C C 13 172.150 0.002 . 1 . . . . . ILE C . 6536 1 37 . 1 1 15 15 ILE CA C 13 63.599 0.179 . 1 . . . . . ILE CA . 6536 1 38 . 1 1 15 15 ILE CB C 13 37.317 0.100 . 1 . . . . . ILE CB . 6536 1 39 . 1 1 15 15 ILE CG1 C 13 27.933 0.013 . 1 . . . . . ILE CG1 . 6536 1 40 . 1 1 15 15 ILE CG2 C 13 12.523 0.091 . 1 . . . . . ILE CG2 . 6536 1 41 . 1 1 15 15 ILE CD1 C 13 17.302 0.064 . 1 . . . . . ILE CD1 . 6536 1 42 . 1 1 15 15 ILE N N 15 121.346 0.028 . 1 . . . . . ILE N . 6536 1 43 . 1 1 16 16 LYS H H 1 8.203 0.010 . 1 . . . . . LYS H . 6536 1 44 . 1 1 16 16 LYS HA H 1 3.824 0.022 . 1 . . . . . LYS HA . 6536 1 45 . 1 1 16 16 LYS HB2 H 1 1.834 0.002 . 2 . . . . . LYS HB2 . 6536 1 46 . 1 1 16 16 LYS HB3 H 1 2.013 0.021 . 2 . . . . . LYS HB3 . 6536 1 47 . 1 1 16 16 LYS HD2 H 1 1.611 0.002 . 1 . . . . . LYS HD . 6536 1 48 . 1 1 16 16 LYS HD3 H 1 1.611 0.002 . 1 . . . . . LYS HD . 6536 1 49 . 1 1 16 16 LYS HE2 H 1 2.846 0.048 . 1 . . . . . LYS HE . 6536 1 50 . 1 1 16 16 LYS HE3 H 1 2.846 0.048 . 1 . . . . . LYS HE . 6536 1 51 . 1 1 16 16 LYS C C 13 170.788 0.002 . 1 . . . . . LYS C . 6536 1 52 . 1 1 16 16 LYS CA C 13 60.523 0.053 . 1 . . . . . LYS CA . 6536 1 53 . 1 1 16 16 LYS CB C 13 31.792 0.363 . 1 . . . . . LYS CB . 6536 1 54 . 1 1 16 16 LYS N N 15 118.895 0.074 . 1 . . . . . LYS N . 6536 1 55 . 1 1 17 17 LYS H H 1 7.718 0.022 . 1 . . . . . LYS H . 6536 1 56 . 1 1 17 17 LYS HA H 1 4.048 0.036 . 1 . . . . . LYS HA . 6536 1 57 . 1 1 17 17 LYS HB2 H 1 1.863 0.031 . 1 . . . . . LYS HB . 6536 1 58 . 1 1 17 17 LYS HB3 H 1 1.863 0.031 . 1 . . . . . LYS HB . 6536 1 59 . 1 1 17 17 LYS C C 13 170.637 0.002 . 1 . . . . . LYS C . 6536 1 60 . 1 1 17 17 LYS CB C 13 32.561 0.212 . 1 . . . . . LYS CB . 6536 1 61 . 1 1 17 17 LYS N N 15 117.452 0.098 . 1 . . . . . LYS N . 6536 1 62 . 1 1 18 18 LYS H H 1 8.007 0.010 . 1 . . . . . LYS H . 6536 1 63 . 1 1 18 18 LYS HA H 1 3.786 0.006 . 1 . . . . . LYS HA . 6536 1 64 . 1 1 18 18 LYS HB2 H 1 1.349 0.019 . 2 . . . . . LYS HB2 . 6536 1 65 . 1 1 18 18 LYS HB3 H 1 1.602 0.010 . 2 . . . . . LYS HB3 . 6536 1 66 . 1 1 18 18 LYS HG2 H 1 0.345 0.010 . 2 . . . . . LYS HG2 . 6536 1 67 . 1 1 18 18 LYS HG3 H 1 0.930 0.006 . 2 . . . . . LYS HG3 . 6536 1 68 . 1 1 18 18 LYS HE2 H 1 2.693 0.010 . 1 . . . . . LYS HE . 6536 1 69 . 1 1 18 18 LYS HE3 H 1 2.693 0.010 . 1 . . . . . LYS HE . 6536 1 70 . 1 1 18 18 LYS C C 13 172.090 0.002 . 1 . . . . . LYS C . 6536 1 71 . 1 1 18 18 LYS CA C 13 59.334 0.176 . 1 . . . . . LYS CA . 6536 1 72 . 1 1 18 18 LYS CB C 13 32.473 0.105 . 1 . . . . . LYS CB . 6536 1 73 . 1 1 18 18 LYS CG C 13 24.196 0.049 . 1 . . . . . LYS CG . 6536 1 74 . 1 1 18 18 LYS CE C 13 41.788 0.068 . 1 . . . . . LYS CE . 6536 1 75 . 1 1 18 18 LYS N N 15 120.393 0.025 . 1 . . . . . LYS N . 6536 1 76 . 1 1 19 19 PHE H H 1 7.664 0.005 . 1 . . . . . PHE H . 6536 1 77 . 1 1 19 19 PHE HA H 1 4.736 0.004 . 1 . . . . . PHE HA . 6536 1 78 . 1 1 19 19 PHE HB2 H 1 2.414 0.016 . 2 . . . . . PHE HB2 . 6536 1 79 . 1 1 19 19 PHE HB3 H 1 3.416 0.013 . 2 . . . . . PHE HB3 . 6536 1 80 . 1 1 19 19 PHE HD1 H 1 7.071 0.022 . 1 . . . . . PHE HD . 6536 1 81 . 1 1 19 19 PHE HE1 H 1 7.486 0.009 . 1 . . . . . PHE HE . 6536 1 82 . 1 1 19 19 PHE HZ H 1 6.704 0.014 . 1 . . . . . PHE HZ . 6536 1 83 . 1 1 19 19 PHE C C 13 176.630 0.002 . 1 . . . . . PHE C . 6536 1 84 . 1 1 19 19 PHE CB C 13 39.139 0.092 . 1 . . . . . PHE CB . 6536 1 85 . 1 1 19 19 PHE CD1 C 13 124.975 0.053 . 1 . . . . . PHE CD . 6536 1 86 . 1 1 19 19 PHE CE1 C 13 114.754 0.144 . 1 . . . . . PHE CE . 6536 1 87 . 1 1 19 19 PHE CZ C 13 121.384 0.081 . 1 . . . . . PHE CZ . 6536 1 88 . 1 1 19 19 PHE N N 15 112.690 0.066 . 1 . . . . . PHE N . 6536 1 89 . 1 1 20 20 LYS H H 1 7.662 0.013 . 1 . . . . . LYS H . 6536 1 90 . 1 1 20 20 LYS HA H 1 3.930 0.021 . 1 . . . . . LYS HA . 6536 1 91 . 1 1 20 20 LYS HB2 H 1 1.893 0.018 . 2 . . . . . LYS HB2 . 6536 1 92 . 1 1 20 20 LYS HB3 H 1 2.091 0.011 . 2 . . . . . LYS HB3 . 6536 1 93 . 1 1 20 20 LYS HG2 H 1 1.372 0.016 . 1 . . . . . LYS HG . 6536 1 94 . 1 1 20 20 LYS HG3 H 1 1.372 0.016 . 1 . . . . . LYS HG . 6536 1 95 . 1 1 20 20 LYS HE2 H 1 3.016 0.002 . 1 . . . . . LYS HE . 6536 1 96 . 1 1 20 20 LYS HE3 H 1 3.016 0.002 . 1 . . . . . LYS HE . 6536 1 97 . 1 1 20 20 LYS C C 13 174.041 0.002 . 1 . . . . . LYS C . 6536 1 98 . 1 1 20 20 LYS CA C 13 57.174 0.098 . 1 . . . . . LYS CA . 6536 1 99 . 1 1 20 20 LYS CG C 13 25.144 0.011 . 1 . . . . . LYS CG . 6536 1 100 . 1 1 20 20 LYS N N 15 118.774 0.019 . 1 . . . . . LYS N . 6536 1 101 . 1 1 21 21 LEU H H 1 8.419 0.018 . 1 . . . . . LEU H . 6536 1 102 . 1 1 21 21 LEU HA H 1 4.595 0.058 . 1 . . . . . LEU HA . 6536 1 103 . 1 1 21 21 LEU HB2 H 1 1.525 0.004 . 1 . . . . . LEU HB . 6536 1 104 . 1 1 21 21 LEU HB3 H 1 1.525 0.004 . 1 . . . . . LEU HB . 6536 1 105 . 1 1 21 21 LEU HD11 H 1 0.815 0.034 . 2 . . . . . LEU HD1 . 6536 1 106 . 1 1 21 21 LEU HD12 H 1 0.815 0.034 . 2 . . . . . LEU HD1 . 6536 1 107 . 1 1 21 21 LEU HD13 H 1 0.815 0.034 . 2 . . . . . LEU HD1 . 6536 1 108 . 1 1 21 21 LEU HD21 H 1 0.762 0.030 . 2 . . . . . LEU HD2 . 6536 1 109 . 1 1 21 21 LEU HD22 H 1 0.762 0.030 . 2 . . . . . LEU HD2 . 6536 1 110 . 1 1 21 21 LEU HD23 H 1 0.762 0.030 . 2 . . . . . LEU HD2 . 6536 1 111 . 1 1 21 21 LEU CA C 13 54.151 0.138 . 1 . . . . . LEU CA . 6536 1 112 . 1 1 21 21 LEU CD1 C 13 23.815 0.002 . 2 . . . . . LEU CD1 . 6536 1 113 . 1 1 21 21 LEU CD2 C 13 25.788 0.060 . 2 . . . . . LEU CD2 . 6536 1 114 . 1 1 21 21 LEU N N 15 120.140 0.024 . 1 . . . . . LEU N . 6536 1 115 . 1 1 22 22 THR H H 1 8.481 0.003 . 1 . . . . . THR H . 6536 1 116 . 1 1 22 22 THR HA H 1 4.396 0.007 . 1 . . . . . THR HA . 6536 1 117 . 1 1 22 22 THR HB H 1 4.184 0.010 . 1 . . . . . THR HB . 6536 1 118 . 1 1 22 22 THR HG21 H 1 1.113 0.004 . 1 . . . . . THR HG2 . 6536 1 119 . 1 1 22 22 THR HG22 H 1 1.113 0.004 . 1 . . . . . THR HG2 . 6536 1 120 . 1 1 22 22 THR HG23 H 1 1.113 0.004 . 1 . . . . . THR HG2 . 6536 1 121 . 1 1 22 22 THR C C 13 175.475 0.002 . 1 . . . . . THR C . 6536 1 122 . 1 1 22 22 THR CA C 13 61.031 0.027 . 1 . . . . . THR CA . 6536 1 123 . 1 1 22 22 THR CB C 13 70.163 0.007 . 1 . . . . . THR CB . 6536 1 124 . 1 1 22 22 THR CG2 C 13 21.295 0.106 . 1 . . . . . THR CG2 . 6536 1 125 . 1 1 22 22 THR N N 15 115.696 0.044 . 1 . . . . . THR N . 6536 1 126 . 1 1 23 23 GLY H H 1 8.187 0.010 . 1 . . . . . GLY H . 6536 1 127 . 1 1 23 23 GLY HA2 H 1 4.758 0.003 . 1 . . . . . GLY HA . 6536 1 128 . 1 1 23 23 GLY HA3 H 1 4.758 0.003 . 1 . . . . . GLY HA . 6536 1 129 . 1 1 23 23 GLY N N 15 111.845 0.128 . 1 . . . . . GLY N . 6536 1 130 . 1 1 24 24 PRO HA H 1 4.309 0.029 . 1 . . . . . PRO HA . 6536 1 131 . 1 1 24 24 PRO HB2 H 1 1.681 0.012 . 2 . . . . . PRO HB2 . 6536 1 132 . 1 1 24 24 PRO HB3 H 1 2.207 0.012 . 2 . . . . . PRO HB3 . 6536 1 133 . 1 1 24 24 PRO HG2 H 1 1.926 0.004 . 1 . . . . . PRO HG . 6536 1 134 . 1 1 24 24 PRO HG3 H 1 1.926 0.004 . 1 . . . . . PRO HG . 6536 1 135 . 1 1 24 24 PRO HD2 H 1 3.528 0.017 . 1 . . . . . PRO HD . 6536 1 136 . 1 1 24 24 PRO HD3 H 1 3.528 0.017 . 1 . . . . . PRO HD . 6536 1 137 . 1 1 24 24 PRO C C 13 172.897 0.002 . 1 . . . . . PRO C . 6536 1 138 . 1 1 24 24 PRO CA C 13 62.637 0.230 . 1 . . . . . PRO CA . 6536 1 139 . 1 1 24 24 PRO CB C 13 31.991 0.071 . 1 . . . . . PRO CB . 6536 1 140 . 1 1 24 24 PRO CG C 13 27.282 0.029 . 1 . . . . . PRO CG . 6536 1 141 . 1 1 24 24 PRO CD C 13 49.424 0.019 . 1 . . . . . PRO CD . 6536 1 142 . 1 1 25 25 ILE H H 1 8.564 0.011 . 1 . . . . . ILE H . 6536 1 143 . 1 1 25 25 ILE HA H 1 3.943 0.005 . 1 . . . . . ILE HA . 6536 1 144 . 1 1 25 25 ILE HB H 1 1.746 0.002 . 1 . . . . . ILE HB . 6536 1 145 . 1 1 25 25 ILE HG12 H 1 0.830 0.019 . 1 . . . . . ILE HG1 . 6536 1 146 . 1 1 25 25 ILE HG13 H 1 0.830 0.019 . 1 . . . . . ILE HG1 . 6536 1 147 . 1 1 25 25 ILE HG21 H 1 0.989 0.013 . 1 . . . . . ILE HG2 . 6536 1 148 . 1 1 25 25 ILE HG22 H 1 0.989 0.013 . 1 . . . . . ILE HG2 . 6536 1 149 . 1 1 25 25 ILE HG23 H 1 0.989 0.013 . 1 . . . . . ILE HG2 . 6536 1 150 . 1 1 25 25 ILE HD11 H 1 0.817 0.002 . 1 . . . . . ILE HD1 . 6536 1 151 . 1 1 25 25 ILE HD12 H 1 0.817 0.002 . 1 . . . . . ILE HD1 . 6536 1 152 . 1 1 25 25 ILE HD13 H 1 0.817 0.002 . 1 . . . . . ILE HD1 . 6536 1 153 . 1 1 25 25 ILE C C 13 174.249 0.002 . 1 . . . . . ILE C . 6536 1 154 . 1 1 25 25 ILE CA C 13 62.032 0.355 . 1 . . . . . ILE CA . 6536 1 155 . 1 1 25 25 ILE CB C 13 37.285 0.027 . 1 . . . . . ILE CB . 6536 1 156 . 1 1 25 25 ILE CG1 C 13 18.085 0.050 . 1 . . . . . ILE CG1 . 6536 1 157 . 1 1 25 25 ILE CG2 C 13 28.212 0.066 . 1 . . . . . ILE CG2 . 6536 1 158 . 1 1 25 25 ILE N N 15 123.558 0.046 . 1 . . . . . ILE N . 6536 1 159 . 1 1 26 26 GLN H H 1 9.081 0.010 . 1 . . . . . GLN H . 6536 1 160 . 1 1 26 26 GLN HA H 1 4.509 0.004 . 1 . . . . . GLN HA . 6536 1 161 . 1 1 26 26 GLN HB2 H 1 1.799 0.004 . 2 . . . . . GLN HB2 . 6536 1 162 . 1 1 26 26 GLN HB3 H 1 1.837 0.001 . 2 . . . . . GLN HB3 . 6536 1 163 . 1 1 26 26 GLN HG2 H 1 2.107 0.013 . 1 . . . . . GLN HG . 6536 1 164 . 1 1 26 26 GLN HG3 H 1 2.107 0.013 . 1 . . . . . GLN HG . 6536 1 165 . 1 1 26 26 GLN C C 13 176.735 0.002 . 1 . . . . . GLN C . 6536 1 166 . 1 1 26 26 GLN CA C 13 53.785 0.074 . 1 . . . . . GLN CA . 6536 1 167 . 1 1 26 26 GLN CG C 13 33.585 0.238 . 1 . . . . . GLN CG . 6536 1 168 . 1 1 26 26 GLN N N 15 129.643 0.007 . 1 . . . . . GLN N . 6536 1 169 . 1 1 27 27 VAL H H 1 8.288 0.020 . 1 . . . . . VAL H . 6536 1 170 . 1 1 27 27 VAL HA H 1 3.691 0.010 . 1 . . . . . VAL HA . 6536 1 171 . 1 1 27 27 VAL HB H 1 1.828 0.042 . 1 . . . . . VAL HB . 6536 1 172 . 1 1 27 27 VAL HG11 H 1 0.667 0.028 . 2 . . . . . VAL HG1 . 6536 1 173 . 1 1 27 27 VAL HG12 H 1 0.667 0.028 . 2 . . . . . VAL HG1 . 6536 1 174 . 1 1 27 27 VAL HG13 H 1 0.667 0.028 . 2 . . . . . VAL HG1 . 6536 1 175 . 1 1 27 27 VAL HG21 H 1 0.641 0.024 . 2 . . . . . VAL HG2 . 6536 1 176 . 1 1 27 27 VAL HG22 H 1 0.641 0.024 . 2 . . . . . VAL HG2 . 6536 1 177 . 1 1 27 27 VAL HG23 H 1 0.641 0.024 . 2 . . . . . VAL HG2 . 6536 1 178 . 1 1 27 27 VAL C C 13 173.739 0.002 . 1 . . . . . VAL C . 6536 1 179 . 1 1 27 27 VAL CA C 13 63.064 0.002 . 1 . . . . . VAL CA . 6536 1 180 . 1 1 27 27 VAL CG1 C 13 21.596 0.051 . 1 . . . . . VAL CG1 . 6536 1 181 . 1 1 27 27 VAL N N 15 120.760 0.022 . 1 . . . . . VAL N . 6536 1 182 . 1 1 28 28 ILE H H 1 8.879 0.012 . 1 . . . . . ILE H . 6536 1 183 . 1 1 28 28 ILE HA H 1 3.705 0.017 . 1 . . . . . ILE HA . 6536 1 184 . 1 1 28 28 ILE HB H 1 1.130 0.009 . 1 . . . . . ILE HB . 6536 1 185 . 1 1 28 28 ILE HG21 H 1 0.862 0.013 . 1 . . . . . ILE HG2 . 6536 1 186 . 1 1 28 28 ILE HG22 H 1 0.862 0.013 . 1 . . . . . ILE HG2 . 6536 1 187 . 1 1 28 28 ILE HG23 H 1 0.862 0.013 . 1 . . . . . ILE HG2 . 6536 1 188 . 1 1 28 28 ILE HD11 H 1 0.284 0.015 . 1 . . . . . ILE HD1 . 6536 1 189 . 1 1 28 28 ILE HD12 H 1 0.284 0.015 . 1 . . . . . ILE HD1 . 6536 1 190 . 1 1 28 28 ILE HD13 H 1 0.284 0.015 . 1 . . . . . ILE HD1 . 6536 1 191 . 1 1 28 28 ILE C C 13 174.373 0.002 . 1 . . . . . ILE C . 6536 1 192 . 1 1 28 28 ILE CB C 13 38.878 0.037 . 1 . . . . . ILE CB . 6536 1 193 . 1 1 28 28 ILE CG2 C 13 27.228 0.131 . 1 . . . . . ILE CG2 . 6536 1 194 . 1 1 28 28 ILE CD1 C 13 16.748 0.051 . 1 . . . . . ILE CD1 . 6536 1 195 . 1 1 28 28 ILE N N 15 128.273 0.025 . 1 . . . . . ILE N . 6536 1 196 . 1 1 29 29 HIS H H 1 7.114 0.027 . 1 . . . . . HIS H . 6536 1 197 . 1 1 29 29 HIS HA H 1 4.845 0.003 . 1 . . . . . HIS HA . 6536 1 198 . 1 1 29 29 HIS HB2 H 1 2.247 0.024 . 2 . . . . . HIS HB2 . 6536 1 199 . 1 1 29 29 HIS HB3 H 1 2.917 0.024 . 2 . . . . . HIS HB3 . 6536 1 200 . 1 1 29 29 HIS HD1 H 1 5.875 0.008 . 1 . . . . . HIS HD1 . 6536 1 201 . 1 1 29 29 HIS C C 13 176.547 0.002 . 1 . . . . . HIS C . 6536 1 202 . 1 1 29 29 HIS CB C 13 35.062 0.067 . 1 . . . . . HIS CB . 6536 1 203 . 1 1 29 29 HIS N N 15 111.489 0.064 . 1 . . . . . HIS N . 6536 1 204 . 1 1 30 30 LEU H H 1 8.755 0.014 . 1 . . . . . LEU H . 6536 1 205 . 1 1 30 30 LEU HA H 1 4.788 0.046 . 1 . . . . . LEU HA . 6536 1 206 . 1 1 30 30 LEU HB2 H 1 1.472 0.006 . 2 . . . . . LEU HB2 . 6536 1 207 . 1 1 30 30 LEU HB3 H 1 1.649 0.036 . 2 . . . . . LEU HB3 . 6536 1 208 . 1 1 30 30 LEU HD21 H 1 0.827 0.018 . 1 . . . . . LEU HD2 . 6536 1 209 . 1 1 30 30 LEU HD22 H 1 0.827 0.018 . 1 . . . . . LEU HD2 . 6536 1 210 . 1 1 30 30 LEU HD23 H 1 0.827 0.018 . 1 . . . . . LEU HD2 . 6536 1 211 . 1 1 30 30 LEU C C 13 174.782 0.002 . 1 . . . . . LEU C . 6536 1 212 . 1 1 30 30 LEU CB C 13 43.173 0.007 . 1 . . . . . LEU CB . 6536 1 213 . 1 1 30 30 LEU CD2 C 13 24.681 0.259 . 1 . . . . . LEU CD2 . 6536 1 214 . 1 1 30 30 LEU N N 15 122.984 0.029 . 1 . . . . . LEU N . 6536 1 215 . 1 1 31 31 ALA H H 1 8.852 0.011 . 1 . . . . . ALA H . 6536 1 216 . 1 1 31 31 ALA HA H 1 4.991 0.028 . 1 . . . . . ALA HA . 6536 1 217 . 1 1 31 31 ALA HB1 H 1 1.038 0.014 . 1 . . . . . ALA HB . 6536 1 218 . 1 1 31 31 ALA HB2 H 1 1.038 0.014 . 1 . . . . . ALA HB . 6536 1 219 . 1 1 31 31 ALA HB3 H 1 1.038 0.014 . 1 . . . . . ALA HB . 6536 1 220 . 1 1 31 31 ALA C C 13 174.907 0.002 . 1 . . . . . ALA C . 6536 1 221 . 1 1 31 31 ALA CA C 13 49.929 0.020 . 1 . . . . . ALA CA . 6536 1 222 . 1 1 31 31 ALA CB C 13 23.213 0.111 . 1 . . . . . ALA CB . 6536 1 223 . 1 1 31 31 ALA N N 15 124.629 0.043 . 1 . . . . . ALA N . 6536 1 224 . 1 1 32 32 LYS H H 1 8.560 0.013 . 1 . . . . . LYS H . 6536 1 225 . 1 1 32 32 LYS HA H 1 4.970 0.046 . 1 . . . . . LYS HA . 6536 1 226 . 1 1 32 32 LYS HB2 H 1 1.504 0.040 . 2 . . . . . LYS HB2 . 6536 1 227 . 1 1 32 32 LYS HB3 H 1 1.514 0.052 . 2 . . . . . LYS HB3 . 6536 1 228 . 1 1 32 32 LYS HG2 H 1 1.229 0.037 . 1 . . . . . LYS HG . 6536 1 229 . 1 1 32 32 LYS HG3 H 1 1.229 0.037 . 1 . . . . . LYS HG . 6536 1 230 . 1 1 32 32 LYS HE2 H 1 2.890 0.002 . 1 . . . . . LYS HE . 6536 1 231 . 1 1 32 32 LYS HE3 H 1 2.890 0.002 . 1 . . . . . LYS HE . 6536 1 232 . 1 1 32 32 LYS C C 13 173.518 0.002 . 1 . . . . . LYS C . 6536 1 233 . 1 1 32 32 LYS N N 15 120.066 0.051 . 1 . . . . . LYS N . 6536 1 234 . 1 1 33 33 ALA H H 1 8.765 0.015 . 1 . . . . . ALA H . 6536 1 235 . 1 1 33 33 ALA HA H 1 4.497 0.030 . 1 . . . . . ALA HA . 6536 1 236 . 1 1 33 33 ALA HB1 H 1 1.569 0.027 . 1 . . . . . ALA HB . 6536 1 237 . 1 1 33 33 ALA HB2 H 1 1.569 0.027 . 1 . . . . . ALA HB . 6536 1 238 . 1 1 33 33 ALA HB3 H 1 1.569 0.027 . 1 . . . . . ALA HB . 6536 1 239 . 1 1 33 33 ALA C C 13 169.938 0.002 . 1 . . . . . ALA C . 6536 1 240 . 1 1 33 33 ALA CA C 13 52.622 0.134 . 1 . . . . . ALA CA . 6536 1 241 . 1 1 33 33 ALA CB C 13 21.587 0.192 . 1 . . . . . ALA CB . 6536 1 242 . 1 1 33 33 ALA N N 15 126.814 0.045 . 1 . . . . . ALA N . 6536 1 243 . 1 1 34 34 CYS H H 1 9.517 0.018 . 1 . . . . . CYS H . 6536 1 244 . 1 1 34 34 CYS HA H 1 4.649 0.057 . 1 . . . . . CYS HA . 6536 1 245 . 1 1 34 34 CYS HB2 H 1 2.888 0.057 . 2 . . . . . CYS HB2 . 6536 1 246 . 1 1 34 34 CYS HB3 H 1 2.980 0.002 . 2 . . . . . CYS HB3 . 6536 1 247 . 1 1 34 34 CYS C C 13 176.820 0.002 . 1 . . . . . CYS C . 6536 1 248 . 1 1 34 34 CYS N N 15 122.881 0.013 . 1 . . . . . CYS N . 6536 1 249 . 1 1 35 35 CYS H H 1 7.802 0.012 . 1 . . . . . CYS H . 6536 1 250 . 1 1 35 35 CYS HA H 1 4.745 0.002 . 1 . . . . . CYS HA . 6536 1 251 . 1 1 35 35 CYS HB2 H 1 3.053 0.006 . 1 . . . . . CYS HB . 6536 1 252 . 1 1 35 35 CYS HB3 H 1 3.053 0.006 . 1 . . . . . CYS HB . 6536 1 253 . 1 1 35 35 CYS C C 13 179.331 0.002 . 1 . . . . . CYS C . 6536 1 254 . 1 1 35 35 CYS N N 15 113.196 0.050 . 1 . . . . . CYS N . 6536 1 255 . 1 1 36 36 ASP H H 1 8.417 0.016 . 1 . . . . . ASP H . 6536 1 256 . 1 1 36 36 ASP HA H 1 4.882 0.027 . 1 . . . . . ASP HA . 6536 1 257 . 1 1 36 36 ASP HB2 H 1 1.847 0.076 . 2 . . . . . ASP HB2 . 6536 1 258 . 1 1 36 36 ASP HB3 H 1 2.586 0.007 . 2 . . . . . ASP HB3 . 6536 1 259 . 1 1 36 36 ASP C C 13 173.451 0.002 . 1 . . . . . ASP C . 6536 1 260 . 1 1 36 36 ASP N N 15 118.031 0.017 . 1 . . . . . ASP N . 6536 1 261 . 1 1 37 37 VAL H H 1 8.476 0.013 . 1 . . . . . VAL H . 6536 1 262 . 1 1 37 37 VAL HA H 1 3.883 0.006 . 1 . . . . . VAL HA . 6536 1 263 . 1 1 37 37 VAL HB H 1 0.341 0.014 . 1 . . . . . VAL HB . 6536 1 264 . 1 1 37 37 VAL HG11 H 1 0.513 0.027 . 2 . . . . . VAL HG1 . 6536 1 265 . 1 1 37 37 VAL HG12 H 1 0.513 0.027 . 2 . . . . . VAL HG1 . 6536 1 266 . 1 1 37 37 VAL HG13 H 1 0.513 0.027 . 2 . . . . . VAL HG1 . 6536 1 267 . 1 1 37 37 VAL HG21 H 1 0.626 0.025 . 2 . . . . . VAL HG2 . 6536 1 268 . 1 1 37 37 VAL HG22 H 1 0.626 0.025 . 2 . . . . . VAL HG2 . 6536 1 269 . 1 1 37 37 VAL HG23 H 1 0.626 0.025 . 2 . . . . . VAL HG2 . 6536 1 270 . 1 1 37 37 VAL C C 13 174.920 0.002 . 1 . . . . . VAL C . 6536 1 271 . 1 1 37 37 VAL CA C 13 62.121 0.002 . 1 . . . . . VAL CA . 6536 1 272 . 1 1 37 37 VAL CB C 13 35.606 0.059 . 1 . . . . . VAL CB . 6536 1 273 . 1 1 37 37 VAL CG1 C 13 20.423 0.162 . 2 . . . . . VAL CG1 . 6536 1 274 . 1 1 37 37 VAL CG2 C 13 24.374 0.066 . 2 . . . . . VAL CG2 . 6536 1 275 . 1 1 37 37 VAL N N 15 123.235 0.046 . 1 . . . . . VAL N . 6536 1 276 . 1 1 38 38 LYS H H 1 8.431 0.007 . 1 . . . . . LYS H . 6536 1 277 . 1 1 38 38 LYS HA H 1 4.352 0.021 . 1 . . . . . LYS HA . 6536 1 278 . 1 1 38 38 LYS HB2 H 1 1.596 0.006 . 2 . . . . . LYS HB2 . 6536 1 279 . 1 1 38 38 LYS HB3 H 1 1.717 0.006 . 2 . . . . . LYS HB3 . 6536 1 280 . 1 1 38 38 LYS HG2 H 1 1.261 0.013 . 2 . . . . . LYS HG2 . 6536 1 281 . 1 1 38 38 LYS HG3 H 1 1.350 0.004 . 2 . . . . . LYS HG3 . 6536 1 282 . 1 1 38 38 LYS HD2 H 1 2.017 0.002 . 1 . . . . . LYS HD . 6536 1 283 . 1 1 38 38 LYS HD3 H 1 2.017 0.002 . 1 . . . . . LYS HD . 6536 1 284 . 1 1 38 38 LYS C C 13 173.670 0.002 . 1 . . . . . LYS C . 6536 1 285 . 1 1 38 38 LYS CA C 13 55.030 0.032 . 1 . . . . . LYS CA . 6536 1 286 . 1 1 38 38 LYS CG C 13 24.580 0.008 . 1 . . . . . LYS CG . 6536 1 287 . 1 1 38 38 LYS N N 15 129.455 0.020 . 1 . . . . . LYS N . 6536 1 288 . 1 1 39 39 GLY H H 1 8.747 0.016 . 1 . . . . . GLY H . 6536 1 289 . 1 1 39 39 GLY HA2 H 1 3.347 0.006 . 2 . . . . . GLY HA2 . 6536 1 290 . 1 1 39 39 GLY HA3 H 1 3.739 0.010 . 2 . . . . . GLY HA3 . 6536 1 291 . 1 1 39 39 GLY C C 13 175.629 0.002 . 1 . . . . . GLY C . 6536 1 292 . 1 1 39 39 GLY CA C 13 45.275 0.133 . 1 . . . . . GLY CA . 6536 1 293 . 1 1 39 39 GLY N N 15 114.588 0.066 . 1 . . . . . GLY N . 6536 1 294 . 1 1 40 40 GLY H H 1 8.848 0.011 . 1 . . . . . GLY H . 6536 1 295 . 1 1 40 40 GLY HA2 H 1 3.703 0.009 . 2 . . . . . GLY HA2 . 6536 1 296 . 1 1 40 40 GLY HA3 H 1 4.265 0.028 . 2 . . . . . GLY HA3 . 6536 1 297 . 1 1 40 40 GLY C C 13 176.099 0.002 . 1 . . . . . GLY C . 6536 1 298 . 1 1 40 40 GLY CA C 13 43.758 0.010 . 1 . . . . . GLY CA . 6536 1 299 . 1 1 40 40 GLY N N 15 111.011 0.010 . 1 . . . . . GLY N . 6536 1 300 . 1 1 41 41 LYS H H 1 8.543 0.020 . 1 . . . . . LYS H . 6536 1 301 . 1 1 41 41 LYS HB2 H 1 1.797 0.002 . 1 . . . . . LYS HB . 6536 1 302 . 1 1 41 41 LYS HB3 H 1 1.797 0.002 . 1 . . . . . LYS HB . 6536 1 303 . 1 1 41 41 LYS C C 13 172.415 0.002 . 1 . . . . . LYS C . 6536 1 304 . 1 1 41 41 LYS N N 15 122.714 0.088 . 1 . . . . . LYS N . 6536 1 305 . 1 1 42 42 ASN H H 1 9.061 0.005 . 1 . . . . . ASN H . 6536 1 306 . 1 1 42 42 ASN HA H 1 4.724 0.035 . 1 . . . . . ASN HA . 6536 1 307 . 1 1 42 42 ASN HB2 H 1 3.296 0.030 . 1 . . . . . ASN HB . 6536 1 308 . 1 1 42 42 ASN HB3 H 1 3.296 0.030 . 1 . . . . . ASN HB . 6536 1 309 . 1 1 42 42 ASN C C 13 176.407 0.002 . 1 . . . . . ASN C . 6536 1 310 . 1 1 42 42 ASN CA C 13 54.640 0.002 . 1 . . . . . ASN CA . 6536 1 311 . 1 1 42 42 ASN CB C 13 37.618 0.014 . 1 . . . . . ASN CB . 6536 1 312 . 1 1 42 42 ASN N N 15 118.476 0.019 . 1 . . . . . ASN N . 6536 1 313 . 1 1 43 43 GLU H H 1 7.950 0.016 . 1 . . . . . GLU H . 6536 1 314 . 1 1 43 43 GLU HA H 1 4.934 0.016 . 1 . . . . . GLU HA . 6536 1 315 . 1 1 43 43 GLU HB2 H 1 1.932 0.021 . 2 . . . . . GLU HB2 . 6536 1 316 . 1 1 43 43 GLU HB3 H 1 2.076 0.040 . 2 . . . . . GLU HB3 . 6536 1 317 . 1 1 43 43 GLU HG2 H 1 2.378 0.007 . 1 . . . . . GLU HG . 6536 1 318 . 1 1 43 43 GLU HG3 H 1 2.378 0.007 . 1 . . . . . GLU HG . 6536 1 319 . 1 1 43 43 GLU C C 13 173.583 0.002 . 1 . . . . . GLU C . 6536 1 320 . 1 1 43 43 GLU N N 15 117.230 0.027 . 1 . . . . . GLU N . 6536 1 321 . 1 1 44 44 LEU H H 1 7.973 0.012 . 1 . . . . . LEU H . 6536 1 322 . 1 1 44 44 LEU HA H 1 4.202 0.020 . 1 . . . . . LEU HA . 6536 1 323 . 1 1 44 44 LEU HB2 H 1 1.218 0.030 . 2 . . . . . LEU HB2 . 6536 1 324 . 1 1 44 44 LEU HB3 H 1 1.528 0.021 . 2 . . . . . LEU HB3 . 6536 1 325 . 1 1 44 44 LEU HD11 H 1 0.641 0.014 . 1 . . . . . LEU HD . 6536 1 326 . 1 1 44 44 LEU HD12 H 1 0.641 0.014 . 1 . . . . . LEU HD . 6536 1 327 . 1 1 44 44 LEU HD13 H 1 0.641 0.014 . 1 . . . . . LEU HD . 6536 1 328 . 1 1 44 44 LEU C C 13 174.022 0.002 . 1 . . . . . LEU C . 6536 1 329 . 1 1 44 44 LEU CB C 13 44.280 0.023 . 1 . . . . . LEU CB . 6536 1 330 . 1 1 44 44 LEU CD1 C 13 24.393 0.057 . 1 . . . . . LEU CD . 6536 1 331 . 1 1 44 44 LEU N N 15 122.786 0.066 . 1 . . . . . LEU N . 6536 1 332 . 1 1 45 45 SER H H 1 7.932 0.006 . 1 . . . . . SER H . 6536 1 333 . 1 1 45 45 SER HA H 1 4.633 0.022 . 1 . . . . . SER HA . 6536 1 334 . 1 1 45 45 SER HB2 H 1 3.691 0.008 . 2 . . . . . SER HB2 . 6536 1 335 . 1 1 45 45 SER HB3 H 1 3.903 0.014 . 2 . . . . . SER HB3 . 6536 1 336 . 1 1 45 45 SER C C 13 176.863 0.002 . 1 . . . . . SER C . 6536 1 337 . 1 1 45 45 SER CA C 13 57.492 0.002 . 1 . . . . . SER CA . 6536 1 338 . 1 1 45 45 SER CB C 13 64.833 0.052 . 1 . . . . . SER CB . 6536 1 339 . 1 1 45 45 SER N N 15 116.637 0.011 . 1 . . . . . SER N . 6536 1 340 . 1 1 46 46 PHE H H 1 8.151 0.012 . 1 . . . . . PHE H . 6536 1 341 . 1 1 46 46 PHE HA H 1 4.808 0.018 . 1 . . . . . PHE HA . 6536 1 342 . 1 1 46 46 PHE HB2 H 1 2.947 0.020 . 2 . . . . . PHE HB2 . 6536 1 343 . 1 1 46 46 PHE HB3 H 1 3.177 0.019 . 2 . . . . . PHE HB3 . 6536 1 344 . 1 1 46 46 PHE HD1 H 1 6.673 0.011 . 1 . . . . . PHE HD . 6536 1 345 . 1 1 46 46 PHE HE1 H 1 7.249 0.032 . 1 . . . . . PHE HE . 6536 1 346 . 1 1 46 46 PHE HZ H 1 7.040 0.023 . 1 . . . . . PHE HZ . 6536 1 347 . 1 1 46 46 PHE C C 13 176.147 0.002 . 1 . . . . . PHE C . 6536 1 348 . 1 1 46 46 PHE CA C 13 56.091 0.250 . 1 . . . . . PHE CA . 6536 1 349 . 1 1 46 46 PHE CB C 13 39.564 0.070 . 1 . . . . . PHE CB . 6536 1 350 . 1 1 46 46 PHE CD1 C 13 132.410 0.111 . 1 . . . . . PHE CD . 6536 1 351 . 1 1 46 46 PHE CE1 C 13 131.208 0.057 . 1 . . . . . PHE CE . 6536 1 352 . 1 1 46 46 PHE CZ C 13 129.320 0.054 . 1 . . . . . PHE CZ . 6536 1 353 . 1 1 46 46 PHE N N 15 117.893 0.033 . 1 . . . . . PHE N . 6536 1 354 . 1 1 47 47 LYS H H 1 8.939 0.013 . 1 . . . . . LYS H . 6536 1 355 . 1 1 47 47 LYS HA H 1 4.944 0.062 . 1 . . . . . LYS HA . 6536 1 356 . 1 1 47 47 LYS HB2 H 1 1.738 0.002 . 2 . . . . . LYS HB2 . 6536 1 357 . 1 1 47 47 LYS HB3 H 1 1.899 0.002 . 2 . . . . . LYS HB3 . 6536 1 358 . 1 1 47 47 LYS HG2 H 1 1.458 0.029 . 2 . . . . . LYS HG2 . 6536 1 359 . 1 1 47 47 LYS HG3 H 1 1.631 0.002 . 2 . . . . . LYS HG3 . 6536 1 360 . 1 1 47 47 LYS HE2 H 1 2.965 0.052 . 1 . . . . . LYS HE . 6536 1 361 . 1 1 47 47 LYS HE3 H 1 2.965 0.052 . 1 . . . . . LYS HE . 6536 1 362 . 1 1 47 47 LYS C C 13 174.142 0.002 . 1 . . . . . LYS C . 6536 1 363 . 1 1 47 47 LYS N N 15 119.539 0.014 . 1 . . . . . LYS N . 6536 1 364 . 1 1 48 48 GLN H H 1 9.052 0.016 . 1 . . . . . GLN H . 6536 1 365 . 1 1 48 48 GLN HA H 1 3.287 0.032 . 1 . . . . . GLN HA . 6536 1 366 . 1 1 48 48 GLN HB2 H 1 1.740 0.005 . 2 . . . . . GLN HB2 . 6536 1 367 . 1 1 48 48 GLN HB3 H 1 1.886 0.001 . 2 . . . . . GLN HB3 . 6536 1 368 . 1 1 48 48 GLN HG2 H 1 2.048 0.033 . 2 . . . . . GLN HG2 . 6536 1 369 . 1 1 48 48 GLN HG3 H 1 2.153 0.011 . 2 . . . . . GLN HG3 . 6536 1 370 . 1 1 48 48 GLN CA C 13 58.486 0.043 . 1 . . . . . GLN CA . 6536 1 371 . 1 1 48 48 GLN CG C 13 33.275 0.002 . 1 . . . . . GLN CG . 6536 1 372 . 1 1 48 48 GLN CD C 13 173.502 0.002 . 1 . . . . . GLN CD . 6536 1 373 . 1 1 48 48 GLN N N 15 120.404 0.019 . 1 . . . . . GLN N . 6536 1 374 . 1 1 49 49 GLY H H 1 8.724 0.010 . 1 . . . . . GLY H . 6536 1 375 . 1 1 49 49 GLY C C 13 172.880 0.002 . 1 . . . . . GLY C . 6536 1 376 . 1 1 49 49 GLY N N 15 114.487 0.061 . 1 . . . . . GLY N . 6536 1 377 . 1 1 50 50 GLU H H 1 8.087 0.026 . 1 . . . . . GLU H . 6536 1 378 . 1 1 50 50 GLU HA H 1 4.151 0.008 . 1 . . . . . GLU HA . 6536 1 379 . 1 1 50 50 GLU HB2 H 1 1.986 0.009 . 2 . . . . . GLU HB2 . 6536 1 380 . 1 1 50 50 GLU HB3 H 1 2.288 0.023 . 2 . . . . . GLU HB3 . 6536 1 381 . 1 1 50 50 GLU HG2 H 1 2.440 0.002 . 1 . . . . . GLU HG . 6536 1 382 . 1 1 50 50 GLU HG3 H 1 2.440 0.002 . 1 . . . . . GLU HG . 6536 1 383 . 1 1 50 50 GLU C C 13 174.573 0.002 . 1 . . . . . GLU C . 6536 1 384 . 1 1 50 50 GLU CB C 13 31.381 0.010 . 1 . . . . . GLU CB . 6536 1 385 . 1 1 50 50 GLU N N 15 121.849 0.089 . 1 . . . . . GLU N . 6536 1 386 . 1 1 51 51 GLN H H 1 8.627 0.008 . 1 . . . . . GLN H . 6536 1 387 . 1 1 51 51 GLN HA H 1 4.743 0.056 . 1 . . . . . GLN HA . 6536 1 388 . 1 1 51 51 GLN HB2 H 1 2.021 0.015 . 1 . . . . . GLN HB . 6536 1 389 . 1 1 51 51 GLN HB3 H 1 2.021 0.015 . 1 . . . . . GLN HB . 6536 1 390 . 1 1 51 51 GLN HG2 H 1 2.317 0.046 . 1 . . . . . GLN HG . 6536 1 391 . 1 1 51 51 GLN HG3 H 1 2.317 0.046 . 1 . . . . . GLN HG . 6536 1 392 . 1 1 51 51 GLN CB C 13 30.256 0.002 . 1 . . . . . GLN CB . 6536 1 393 . 1 1 51 51 GLN CD C 13 174.909 0.002 . 1 . . . . . GLN CD . 6536 1 394 . 1 1 51 51 GLN N N 15 122.498 0.081 . 1 . . . . . GLN N . 6536 1 395 . 1 1 52 52 ILE H H 1 8.929 0.017 . 1 . . . . . ILE H . 6536 1 396 . 1 1 52 52 ILE HA H 1 4.266 0.030 . 1 . . . . . ILE HA . 6536 1 397 . 1 1 52 52 ILE HB H 1 1.291 0.030 . 1 . . . . . ILE HB . 6536 1 398 . 1 1 52 52 ILE HG12 H 1 0.651 0.041 . 2 . . . . . ILE HG12 . 6536 1 399 . 1 1 52 52 ILE HG13 H 1 0.834 0.014 . 2 . . . . . ILE HG13 . 6536 1 400 . 1 1 52 52 ILE HG21 H 1 0.470 0.013 . 1 . . . . . ILE HG2 . 6536 1 401 . 1 1 52 52 ILE HG22 H 1 0.470 0.013 . 1 . . . . . ILE HG2 . 6536 1 402 . 1 1 52 52 ILE HG23 H 1 0.470 0.013 . 1 . . . . . ILE HG2 . 6536 1 403 . 1 1 52 52 ILE HD11 H 1 -0.002 0.009 . 1 . . . . . ILE HD1 . 6536 1 404 . 1 1 52 52 ILE HD12 H 1 -0.002 0.009 . 1 . . . . . ILE HD1 . 6536 1 405 . 1 1 52 52 ILE HD13 H 1 -0.002 0.009 . 1 . . . . . ILE HD1 . 6536 1 406 . 1 1 52 52 ILE C C 13 175.042 0.002 . 1 . . . . . ILE C . 6536 1 407 . 1 1 52 52 ILE CA C 13 58.317 0.031 . 1 . . . . . ILE CA . 6536 1 408 . 1 1 52 52 ILE CB C 13 40.851 0.032 . 1 . . . . . ILE CB . 6536 1 409 . 1 1 52 52 ILE CG1 C 13 26.628 0.085 . 1 . . . . . ILE CG1 . 6536 1 410 . 1 1 52 52 ILE CG2 C 13 17.707 0.043 . 1 . . . . . ILE CG2 . 6536 1 411 . 1 1 52 52 ILE CD1 C 13 11.725 0.026 . 1 . . . . . ILE CD1 . 6536 1 412 . 1 1 52 52 ILE N N 15 127.685 0.012 . 1 . . . . . ILE N . 6536 1 413 . 1 1 53 53 GLU H H 1 8.335 0.015 . 1 . . . . . GLU H . 6536 1 414 . 1 1 53 53 GLU HA H 1 4.462 0.022 . 1 . . . . . GLU HA . 6536 1 415 . 1 1 53 53 GLU HB2 H 1 1.563 0.033 . 2 . . . . . GLU HB2 . 6536 1 416 . 1 1 53 53 GLU HB3 H 1 1.952 0.019 . 2 . . . . . GLU HB3 . 6536 1 417 . 1 1 53 53 GLU HG2 H 1 2.266 0.030 . 1 . . . . . GLU HG . 6536 1 418 . 1 1 53 53 GLU HG3 H 1 2.266 0.030 . 1 . . . . . GLU HG . 6536 1 419 . 1 1 53 53 GLU C C 13 174.880 0.002 . 1 . . . . . GLU C . 6536 1 420 . 1 1 53 53 GLU CA C 13 54.994 0.034 . 1 . . . . . GLU CA . 6536 1 421 . 1 1 53 53 GLU CB C 13 30.982 0.134 . 1 . . . . . GLU CB . 6536 1 422 . 1 1 53 53 GLU CG C 13 36.680 0.129 . 1 . . . . . GLU CG . 6536 1 423 . 1 1 53 53 GLU N N 15 124.625 0.019 . 1 . . . . . GLU N . 6536 1 424 . 1 1 54 54 ILE H H 1 9.011 0.020 . 1 . . . . . ILE H . 6536 1 425 . 1 1 54 54 ILE HA H 1 4.299 0.011 . 1 . . . . . ILE HA . 6536 1 426 . 1 1 54 54 ILE HB H 1 1.929 0.019 . 1 . . . . . ILE HB . 6536 1 427 . 1 1 54 54 ILE HG12 H 1 1.116 0.040 . 1 . . . . . ILE HG1 . 6536 1 428 . 1 1 54 54 ILE HG13 H 1 1.116 0.040 . 1 . . . . . ILE HG1 . 6536 1 429 . 1 1 54 54 ILE HG21 H 1 0.593 0.014 . 1 . . . . . ILE HG2 . 6536 1 430 . 1 1 54 54 ILE HG22 H 1 0.593 0.014 . 1 . . . . . ILE HG2 . 6536 1 431 . 1 1 54 54 ILE HG23 H 1 0.593 0.014 . 1 . . . . . ILE HG2 . 6536 1 432 . 1 1 54 54 ILE HD11 H 1 0.482 0.010 . 1 . . . . . ILE HD1 . 6536 1 433 . 1 1 54 54 ILE HD12 H 1 0.482 0.010 . 1 . . . . . ILE HD1 . 6536 1 434 . 1 1 54 54 ILE HD13 H 1 0.482 0.010 . 1 . . . . . ILE HD1 . 6536 1 435 . 1 1 54 54 ILE C C 13 174.529 0.002 . 1 . . . . . ILE C . 6536 1 436 . 1 1 54 54 ILE CA C 13 58.970 0.053 . 1 . . . . . ILE CA . 6536 1 437 . 1 1 54 54 ILE CB C 13 35.380 0.045 . 1 . . . . . ILE CB . 6536 1 438 . 1 1 54 54 ILE CG1 C 13 26.115 0.358 . 1 . . . . . ILE CG1 . 6536 1 439 . 1 1 54 54 ILE CG2 C 13 10.336 0.112 . 1 . . . . . ILE CG2 . 6536 1 440 . 1 1 54 54 ILE CD1 C 13 17.661 0.112 . 1 . . . . . ILE CD1 . 6536 1 441 . 1 1 54 54 ILE N N 15 124.026 0.022 . 1 . . . . . ILE N . 6536 1 442 . 1 1 55 55 ILE H H 1 8.753 0.017 . 1 . . . . . ILE H . 6536 1 443 . 1 1 55 55 ILE HA H 1 5.023 0.024 . 1 . . . . . ILE HA . 6536 1 444 . 1 1 55 55 ILE HB H 1 2.009 0.023 . 1 . . . . . ILE HB . 6536 1 445 . 1 1 55 55 ILE HG12 H 1 0.927 0.039 . 2 . . . . . ILE HG12 . 6536 1 446 . 1 1 55 55 ILE HG13 H 1 1.094 0.018 . 2 . . . . . ILE HG13 . 6536 1 447 . 1 1 55 55 ILE HD11 H 1 0.706 0.028 . 1 . . . . . ILE HD1 . 6536 1 448 . 1 1 55 55 ILE HD12 H 1 0.706 0.028 . 1 . . . . . ILE HD1 . 6536 1 449 . 1 1 55 55 ILE HD13 H 1 0.706 0.028 . 1 . . . . . ILE HD1 . 6536 1 450 . 1 1 55 55 ILE C C 13 174.976 0.002 . 1 . . . . . ILE C . 6536 1 451 . 1 1 55 55 ILE CA C 13 60.059 0.021 . 1 . . . . . ILE CA . 6536 1 452 . 1 1 55 55 ILE CB C 13 38.924 0.182 . 1 . . . . . ILE CB . 6536 1 453 . 1 1 55 55 ILE CG1 C 13 26.598 0.035 . 1 . . . . . ILE CG1 . 6536 1 454 . 1 1 55 55 ILE CD1 C 13 17.382 0.050 . 1 . . . . . ILE CD1 . 6536 1 455 . 1 1 55 55 ILE N N 15 122.390 0.035 . 1 . . . . . ILE N . 6536 1 456 . 1 1 56 56 ARG H H 1 7.389 0.018 . 1 . . . . . ARG H . 6536 1 457 . 1 1 56 56 ARG HA H 1 4.416 0.008 . 1 . . . . . ARG HA . 6536 1 458 . 1 1 56 56 ARG HB2 H 1 1.794 0.006 . 2 . . . . . ARG HB2 . 6536 1 459 . 1 1 56 56 ARG HB3 H 1 2.080 0.017 . 2 . . . . . ARG HB3 . 6536 1 460 . 1 1 56 56 ARG HG2 H 1 1.888 0.001 . 2 . . . . . ARG HG2 . 6536 1 461 . 1 1 56 56 ARG HG3 H 1 2.234 0.023 . 2 . . . . . ARG HG3 . 6536 1 462 . 1 1 56 56 ARG HD2 H 1 3.161 0.012 . 2 . . . . . ARG HD2 . 6536 1 463 . 1 1 56 56 ARG HD3 H 1 3.392 0.031 . 2 . . . . . ARG HD3 . 6536 1 464 . 1 1 56 56 ARG C C 13 174.022 0.002 . 1 . . . . . ARG C . 6536 1 465 . 1 1 56 56 ARG CA C 13 58.494 0.045 . 1 . . . . . ARG CA . 6536 1 466 . 1 1 56 56 ARG CB C 13 33.898 0.071 . 1 . . . . . ARG CB . 6536 1 467 . 1 1 56 56 ARG CG C 13 27.460 0.075 . 1 . . . . . ARG CG . 6536 1 468 . 1 1 56 56 ARG CD C 13 44.506 0.064 . 1 . . . . . ARG CD . 6536 1 469 . 1 1 56 56 ARG N N 15 118.151 0.030 . 1 . . . . . ARG N . 6536 1 470 . 1 1 57 57 ILE H H 1 9.371 0.020 . 1 . . . . . ILE H . 6536 1 471 . 1 1 57 57 ILE HA H 1 4.341 0.011 . 1 . . . . . ILE HA . 6536 1 472 . 1 1 57 57 ILE HB H 1 1.818 0.039 . 1 . . . . . ILE HB . 6536 1 473 . 1 1 57 57 ILE HG12 H 1 0.631 0.036 . 2 . . . . . ILE HG12 . 6536 1 474 . 1 1 57 57 ILE HG13 H 1 1.151 0.024 . 2 . . . . . ILE HG13 . 6536 1 475 . 1 1 57 57 ILE HG21 H 1 0.504 0.015 . 1 . . . . . ILE HG2 . 6536 1 476 . 1 1 57 57 ILE HG22 H 1 0.504 0.015 . 1 . . . . . ILE HG2 . 6536 1 477 . 1 1 57 57 ILE HG23 H 1 0.504 0.015 . 1 . . . . . ILE HG2 . 6536 1 478 . 1 1 57 57 ILE HD11 H 1 0.123 0.020 . 1 . . . . . ILE HD1 . 6536 1 479 . 1 1 57 57 ILE HD12 H 1 0.123 0.020 . 1 . . . . . ILE HD1 . 6536 1 480 . 1 1 57 57 ILE HD13 H 1 0.123 0.020 . 1 . . . . . ILE HD1 . 6536 1 481 . 1 1 57 57 ILE C C 13 174.881 0.002 . 1 . . . . . ILE C . 6536 1 482 . 1 1 57 57 ILE CA C 13 61.746 0.034 . 1 . . . . . ILE CA . 6536 1 483 . 1 1 57 57 ILE CB C 13 39.171 0.074 . 1 . . . . . ILE CB . 6536 1 484 . 1 1 57 57 ILE CG1 C 13 26.097 0.009 . 1 . . . . . ILE CG1 . 6536 1 485 . 1 1 57 57 ILE CG2 C 13 13.132 0.114 . 1 . . . . . ILE CG2 . 6536 1 486 . 1 1 57 57 ILE CD1 C 13 16.778 0.037 . 1 . . . . . ILE CD1 . 6536 1 487 . 1 1 57 57 ILE N N 15 125.701 0.054 . 1 . . . . . ILE N . 6536 1 488 . 1 1 58 58 THR H H 1 7.332 0.016 . 1 . . . . . THR H . 6536 1 489 . 1 1 58 58 THR HA H 1 4.638 0.003 . 1 . . . . . THR HA . 6536 1 490 . 1 1 58 58 THR HB H 1 4.301 0.006 . 1 . . . . . THR HB . 6536 1 491 . 1 1 58 58 THR HG21 H 1 1.185 0.016 . 1 . . . . . THR HG2 . 6536 1 492 . 1 1 58 58 THR HG22 H 1 1.185 0.016 . 1 . . . . . THR HG2 . 6536 1 493 . 1 1 58 58 THR HG23 H 1 1.185 0.016 . 1 . . . . . THR HG2 . 6536 1 494 . 1 1 58 58 THR CA C 13 60.570 0.047 . 1 . . . . . THR CA . 6536 1 495 . 1 1 58 58 THR CB C 13 70.711 0.020 . 1 . . . . . THR CB . 6536 1 496 . 1 1 58 58 THR CG2 C 13 21.650 0.147 . 1 . . . . . THR CG2 . 6536 1 497 . 1 1 58 58 THR N N 15 114.254 0.051 . 1 . . . . . THR N . 6536 1 498 . 1 1 59 59 ASP H H 1 8.630 0.014 . 1 . . . . . ASP H . 6536 1 499 . 1 1 59 59 ASP HA H 1 4.245 0.010 . 1 . . . . . ASP HA . 6536 1 500 . 1 1 59 59 ASP HB2 H 1 2.647 0.014 . 2 . . . . . ASP HB2 . 6536 1 501 . 1 1 59 59 ASP HB3 H 1 2.857 0.006 . 2 . . . . . ASP HB3 . 6536 1 502 . 1 1 59 59 ASP C C 13 175.903 0.002 . 1 . . . . . ASP C . 6536 1 503 . 1 1 59 59 ASP CA C 13 55.827 0.051 . 1 . . . . . ASP CA . 6536 1 504 . 1 1 59 59 ASP CB C 13 39.576 0.102 . 1 . . . . . ASP CB . 6536 1 505 . 1 1 59 59 ASP N N 15 111.719 0.026 . 1 . . . . . ASP N . 6536 1 506 . 1 1 60 60 ASN H H 1 8.044 0.010 . 1 . . . . . ASN H . 6536 1 507 . 1 1 60 60 ASN HA H 1 5.250 0.005 . 1 . . . . . ASN HA . 6536 1 508 . 1 1 60 60 ASN HB2 H 1 2.413 0.009 . 2 . . . . . ASN HB2 . 6536 1 509 . 1 1 60 60 ASN HB3 H 1 2.670 0.010 . 2 . . . . . ASN HB3 . 6536 1 510 . 1 1 60 60 ASN CA C 13 50.556 0.051 . 1 . . . . . ASN CA . 6536 1 511 . 1 1 60 60 ASN CB C 13 39.723 0.101 . 1 . . . . . ASN CB . 6536 1 512 . 1 1 60 60 ASN N N 15 114.399 0.018 . 1 . . . . . ASN N . 6536 1 513 . 1 1 62 62 GLU H H 1 7.881 0.006 . 1 . . . . . GLU H . 6536 1 514 . 1 1 62 62 GLU HA H 1 3.974 0.008 . 1 . . . . . GLU HA . 6536 1 515 . 1 1 62 62 GLU HB2 H 1 1.938 0.024 . 1 . . . . . GLU HB . 6536 1 516 . 1 1 62 62 GLU HB3 H 1 1.938 0.024 . 1 . . . . . GLU HB . 6536 1 517 . 1 1 62 62 GLU HG2 H 1 2.203 0.009 . 1 . . . . . GLU HG . 6536 1 518 . 1 1 62 62 GLU HG3 H 1 2.203 0.009 . 1 . . . . . GLU HG . 6536 1 519 . 1 1 62 62 GLU C C 13 172.390 0.002 . 1 . . . . . GLU C . 6536 1 520 . 1 1 62 62 GLU CA C 13 57.794 0.106 . 1 . . . . . GLU CA . 6536 1 521 . 1 1 62 62 GLU CG C 13 36.100 0.002 . 1 . . . . . GLU CG . 6536 1 522 . 1 1 62 62 GLU N N 15 120.009 0.002 . 1 . . . . . GLU N . 6536 1 523 . 1 1 63 63 GLY H H 1 8.704 0.011 . 1 . . . . . GLY H . 6536 1 524 . 1 1 63 63 GLY HA2 H 1 3.773 0.002 . 2 . . . . . GLY HA2 . 6536 1 525 . 1 1 63 63 GLY HA3 H 1 4.024 0.002 . 2 . . . . . GLY HA3 . 6536 1 526 . 1 1 63 63 GLY C C 13 175.514 0.002 . 1 . . . . . GLY C . 6536 1 527 . 1 1 63 63 GLY N N 15 111.281 0.012 . 1 . . . . . GLY N . 6536 1 528 . 1 1 64 64 LYS H H 1 7.759 0.011 . 1 . . . . . LYS H . 6536 1 529 . 1 1 64 64 LYS HA H 1 5.143 0.016 . 1 . . . . . LYS HA . 6536 1 530 . 1 1 64 64 LYS HB2 H 1 1.521 0.014 . 2 . . . . . LYS HB2 . 6536 1 531 . 1 1 64 64 LYS HB3 H 1 1.719 0.016 . 2 . . . . . LYS HB3 . 6536 1 532 . 1 1 64 64 LYS HG2 H 1 1.185 0.022 . 2 . . . . . LYS HG2 . 6536 1 533 . 1 1 64 64 LYS HG3 H 1 1.398 0.008 . 2 . . . . . LYS HG3 . 6536 1 534 . 1 1 64 64 LYS HE2 H 1 2.778 0.018 . 1 . . . . . LYS HE . 6536 1 535 . 1 1 64 64 LYS HE3 H 1 2.778 0.018 . 1 . . . . . LYS HE . 6536 1 536 . 1 1 64 64 LYS C C 13 174.278 0.002 . 1 . . . . . LYS C . 6536 1 537 . 1 1 64 64 LYS CA C 13 54.689 0.044 . 1 . . . . . LYS CA . 6536 1 538 . 1 1 64 64 LYS CB C 13 35.682 0.249 . 1 . . . . . LYS CB . 6536 1 539 . 1 1 64 64 LYS CG C 13 29.057 0.077 . 1 . . . . . LYS CG . 6536 1 540 . 1 1 64 64 LYS CE C 13 42.067 0.362 . 1 . . . . . LYS CE . 6536 1 541 . 1 1 64 64 LYS N N 15 117.485 0.051 . 1 . . . . . LYS N . 6536 1 542 . 1 1 65 65 TRP H H 1 9.108 0.018 . 1 . . . . . TRP H . 6536 1 543 . 1 1 65 65 TRP HA H 1 5.421 0.013 . 1 . . . . . TRP HA . 6536 1 544 . 1 1 65 65 TRP HB2 H 1 2.925 0.019 . 2 . . . . . TRP HB2 . 6536 1 545 . 1 1 65 65 TRP HB3 H 1 3.116 0.009 . 2 . . . . . TRP HB3 . 6536 1 546 . 1 1 65 65 TRP HD1 H 1 7.361 0.009 . 1 . . . . . TRP HD1 . 6536 1 547 . 1 1 65 65 TRP HE1 H 1 10.415 0.006 . 1 . . . . . TRP HE1 . 6536 1 548 . 1 1 65 65 TRP HE3 H 1 7.065 0.028 . 1 . . . . . TRP HE3 . 6536 1 549 . 1 1 65 65 TRP CA C 13 53.196 0.052 . 1 . . . . . TRP CA . 6536 1 550 . 1 1 65 65 TRP CB C 13 33.209 0.188 . 1 . . . . . TRP CB . 6536 1 551 . 1 1 65 65 TRP CD1 C 13 109.304 64.497 . 1 . . . . . TRP CD1 . 6536 1 552 . 1 1 65 65 TRP CE3 C 13 118.956 0.144 . 1 . . . . . TRP CE3 . 6536 1 553 . 1 1 65 65 TRP N N 15 119.028 0.048 . 1 . . . . . TRP N . 6536 1 554 . 1 1 65 65 TRP NE1 N 15 130.146 0.018 . 1 . . . . . TRP NE1 . 6536 1 555 . 1 1 66 66 LEU H H 1 8.387 0.020 . 1 . . . . . LEU H . 6536 1 556 . 1 1 66 66 LEU HA H 1 4.818 0.013 . 1 . . . . . LEU HA . 6536 1 557 . 1 1 66 66 LEU HB2 H 1 1.479 0.009 . 2 . . . . . LEU HB2 . 6536 1 558 . 1 1 66 66 LEU HB3 H 1 2.073 0.013 . 2 . . . . . LEU HB3 . 6536 1 559 . 1 1 66 66 LEU HG H 1 1.091 0.044 . 1 . . . . . LEU HG . 6536 1 560 . 1 1 66 66 LEU HD11 H 1 -0.204 0.006 . 2 . . . . . LEU HD1 . 6536 1 561 . 1 1 66 66 LEU HD12 H 1 -0.204 0.006 . 2 . . . . . LEU HD1 . 6536 1 562 . 1 1 66 66 LEU HD13 H 1 -0.204 0.006 . 2 . . . . . LEU HD1 . 6536 1 563 . 1 1 66 66 LEU HD21 H 1 0.680 0.010 . 2 . . . . . LEU HD2 . 6536 1 564 . 1 1 66 66 LEU HD22 H 1 0.680 0.010 . 2 . . . . . LEU HD2 . 6536 1 565 . 1 1 66 66 LEU HD23 H 1 0.680 0.010 . 2 . . . . . LEU HD2 . 6536 1 566 . 1 1 66 66 LEU CA C 13 54.655 0.282 . 1 . . . . . LEU CA . 6536 1 567 . 1 1 66 66 LEU CB C 13 43.926 0.054 . 1 . . . . . LEU CB . 6536 1 568 . 1 1 66 66 LEU CG C 13 27.383 0.002 . 1 . . . . . LEU CG . 6536 1 569 . 1 1 66 66 LEU CD1 C 13 21.536 0.062 . 2 . . . . . LEU CD1 . 6536 1 570 . 1 1 66 66 LEU CD2 C 13 26.863 0.083 . 2 . . . . . LEU CD2 . 6536 1 571 . 1 1 66 66 LEU N N 15 122.538 0.000 . 1 . . . . . LEU N . 6536 1 572 . 1 1 67 67 GLY H H 1 8.724 0.004 . 1 . . . . . GLY H . 6536 1 573 . 1 1 67 67 GLY HA2 H 1 3.450 0.020 . 2 . . . . . GLY HA2 . 6536 1 574 . 1 1 67 67 GLY HA3 H 1 5.182 0.014 . 2 . . . . . GLY HA3 . 6536 1 575 . 1 1 67 67 GLY C C 13 180.649 0.002 . 1 . . . . . GLY C . 6536 1 576 . 1 1 67 67 GLY CA C 13 45.088 0.160 . 1 . . . . . GLY CA . 6536 1 577 . 1 1 67 67 GLY N N 15 114.888 0.028 . 1 . . . . . GLY N . 6536 1 578 . 1 1 68 68 ARG H H 1 8.783 0.011 . 1 . . . . . ARG H . 6536 1 579 . 1 1 68 68 ARG HA H 1 5.581 0.014 . 1 . . . . . ARG HA . 6536 1 580 . 1 1 68 68 ARG HB2 H 1 0.684 0.031 . 2 . . . . . ARG HB2 . 6536 1 581 . 1 1 68 68 ARG HB3 H 1 0.909 0.010 . 2 . . . . . ARG HB3 . 6536 1 582 . 1 1 68 68 ARG HG2 H 1 1.332 0.043 . 1 . . . . . ARG HG . 6536 1 583 . 1 1 68 68 ARG HG3 H 1 1.332 0.043 . 1 . . . . . ARG HG . 6536 1 584 . 1 1 68 68 ARG HD2 H 1 2.423 0.020 . 2 . . . . . ARG HD2 . 6536 1 585 . 1 1 68 68 ARG HD3 H 1 2.581 0.023 . 2 . . . . . ARG HD3 . 6536 1 586 . 1 1 68 68 ARG C C 13 173.532 0.002 . 1 . . . . . ARG C . 6536 1 587 . 1 1 68 68 ARG CA C 13 53.552 0.142 . 1 . . . . . ARG CA . 6536 1 588 . 1 1 68 68 ARG CB C 13 33.108 0.065 . 1 . . . . . ARG CB . 6536 1 589 . 1 1 68 68 ARG CG C 13 22.741 0.076 . 1 . . . . . ARG CG . 6536 1 590 . 1 1 68 68 ARG CD C 13 44.682 0.056 . 1 . . . . . ARG CD . 6536 1 591 . 1 1 68 68 ARG N N 15 114.723 0.011 . 1 . . . . . ARG N . 6536 1 592 . 1 1 69 69 THR H H 1 8.427 0.021 . 1 . . . . . THR H . 6536 1 593 . 1 1 69 69 THR HA H 1 4.768 0.030 . 1 . . . . . THR HA . 6536 1 594 . 1 1 69 69 THR HB H 1 1.326 0.005 . 1 . . . . . THR HB . 6536 1 595 . 1 1 69 69 THR C C 13 172.693 0.002 . 1 . . . . . THR C . 6536 1 596 . 1 1 69 69 THR CA C 13 59.370 0.002 . 1 . . . . . THR CA . 6536 1 597 . 1 1 69 69 THR N N 15 110.758 0.025 . 1 . . . . . THR N . 6536 1 598 . 1 1 70 70 ALA H H 1 9.602 0.011 . 1 . . . . . ALA H . 6536 1 599 . 1 1 70 70 ALA HA H 1 4.127 0.018 . 1 . . . . . ALA HA . 6536 1 600 . 1 1 70 70 ALA HB1 H 1 1.476 0.005 . 1 . . . . . ALA HB . 6536 1 601 . 1 1 70 70 ALA HB2 H 1 1.476 0.005 . 1 . . . . . ALA HB . 6536 1 602 . 1 1 70 70 ALA HB3 H 1 1.476 0.005 . 1 . . . . . ALA HB . 6536 1 603 . 1 1 70 70 ALA C C 13 171.092 0.002 . 1 . . . . . ALA C . 6536 1 604 . 1 1 70 70 ALA CA C 13 54.363 0.002 . 1 . . . . . ALA CA . 6536 1 605 . 1 1 70 70 ALA CB C 13 18.426 0.042 . 1 . . . . . ALA CB . 6536 1 606 . 1 1 70 70 ALA N N 15 124.715 0.027 . 1 . . . . . ALA N . 6536 1 607 . 1 1 71 71 ARG H H 1 7.467 0.022 . 1 . . . . . ARG H . 6536 1 608 . 1 1 71 71 ARG HA H 1 4.334 0.022 . 1 . . . . . ARG HA . 6536 1 609 . 1 1 71 71 ARG HB2 H 1 1.701 0.018 . 2 . . . . . ARG HB2 . 6536 1 610 . 1 1 71 71 ARG HB3 H 1 2.028 0.024 . 2 . . . . . ARG HB3 . 6536 1 611 . 1 1 71 71 ARG HD2 H 1 3.228 0.033 . 2 . . . . . ARG HD2 . 6536 1 612 . 1 1 71 71 ARG HD3 H 1 3.239 0.002 . 2 . . . . . ARG HD3 . 6536 1 613 . 1 1 71 71 ARG C C 13 172.967 0.002 . 1 . . . . . ARG C . 6536 1 614 . 1 1 71 71 ARG N N 15 113.470 0.034 . 1 . . . . . ARG N . 6536 1 615 . 1 1 72 72 GLY H H 1 8.021 0.014 . 1 . . . . . GLY H . 6536 1 616 . 1 1 72 72 GLY HA2 H 1 3.490 0.024 . 2 . . . . . GLY HA2 . 6536 1 617 . 1 1 72 72 GLY HA3 H 1 4.244 0.029 . 2 . . . . . GLY HA3 . 6536 1 618 . 1 1 72 72 GLY C C 13 175.963 0.002 . 1 . . . . . GLY C . 6536 1 619 . 1 1 72 72 GLY N N 15 107.442 0.002 . 1 . . . . . GLY N . 6536 1 620 . 1 1 73 73 SER H H 1 7.009 0.026 . 1 . . . . . SER H . 6536 1 621 . 1 1 73 73 SER HA H 1 4.807 0.011 . 1 . . . . . SER HA . 6536 1 622 . 1 1 73 73 SER HB2 H 1 3.742 0.026 . 2 . . . . . SER HB2 . 6536 1 623 . 1 1 73 73 SER HB3 H 1 3.894 0.028 . 2 . . . . . SER HB3 . 6536 1 624 . 1 1 73 73 SER C C 13 177.244 0.002 . 1 . . . . . SER C . 6536 1 625 . 1 1 73 73 SER CA C 13 57.773 0.011 . 1 . . . . . SER CA . 6536 1 626 . 1 1 73 73 SER CB C 13 63.748 0.034 . 1 . . . . . SER CB . 6536 1 627 . 1 1 73 73 SER N N 15 114.920 0.040 . 1 . . . . . SER N . 6536 1 628 . 1 1 74 74 TYR H H 1 8.712 0.008 . 1 . . . . . TYR H . 6536 1 629 . 1 1 74 74 TYR HA H 1 5.318 0.015 . 1 . . . . . TYR HA . 6536 1 630 . 1 1 74 74 TYR HB2 H 1 2.169 0.014 . 1 . . . . . TYR HB2 . 6536 1 631 . 1 1 74 74 TYR HB3 H 1 2.881 0.014 . 1 . . . . . TYR HB3 . 6536 1 632 . 1 1 74 74 TYR HD1 H 1 6.848 0.013 . 1 . . . . . TYR HD . 6536 1 633 . 1 1 74 74 TYR HE1 H 1 6.534 0.008 . 1 . . . . . TYR HE . 6536 1 634 . 1 1 74 74 TYR C C 13 173.486 0.002 . 1 . . . . . TYR C . 6536 1 635 . 1 1 74 74 TYR CA C 13 56.546 0.053 . 1 . . . . . TYR CA . 6536 1 636 . 1 1 74 74 TYR CB C 13 43.243 0.068 . 1 . . . . . TYR CB . 6536 1 637 . 1 1 74 74 TYR CD1 C 13 133.275 0.061 . 1 . . . . . TYR CD . 6536 1 638 . 1 1 74 74 TYR CE1 C 13 118.025 0.129 . 1 . . . . . TYR CE . 6536 1 639 . 1 1 74 74 TYR N N 15 121.604 0.018 . 1 . . . . . TYR N . 6536 1 640 . 1 1 75 75 GLY H H 1 8.359 0.012 . 1 . . . . . GLY H . 6536 1 641 . 1 1 75 75 GLY HA2 H 1 3.543 0.023 . 2 . . . . . GLY HA2 . 6536 1 642 . 1 1 75 75 GLY HA3 H 1 3.814 0.024 . 2 . . . . . GLY HA3 . 6536 1 643 . 1 1 75 75 GLY C C 13 178.401 0.002 . 1 . . . . . GLY C . 6536 1 644 . 1 1 75 75 GLY CA C 13 45.207 0.132 . 1 . . . . . GLY CA . 6536 1 645 . 1 1 75 75 GLY N N 15 104.911 0.022 . 1 . . . . . GLY N . 6536 1 646 . 1 1 76 76 TYR H H 1 9.219 0.008 . 1 . . . . . TYR H . 6536 1 647 . 1 1 76 76 TYR HA H 1 5.562 0.020 . 1 . . . . . TYR HA . 6536 1 648 . 1 1 76 76 TYR HB2 H 1 2.893 0.030 . 1 . . . . . TYR HB2 . 6536 1 649 . 1 1 76 76 TYR HB3 H 1 3.045 0.019 . 1 . . . . . TYR HB3 . 6536 1 650 . 1 1 76 76 TYR HD1 H 1 7.208 0.036 . 1 . . . . . TYR HD . 6536 1 651 . 1 1 76 76 TYR HE1 H 1 6.955 0.023 . 1 . . . . . TYR HE . 6536 1 652 . 1 1 76 76 TYR C C 13 172.630 0.002 . 1 . . . . . TYR C . 6536 1 653 . 1 1 76 76 TYR CA C 13 58.485 0.055 . 1 . . . . . TYR CA . 6536 1 654 . 1 1 76 76 TYR CB C 13 40.179 0.164 . 1 . . . . . TYR CB . 6536 1 655 . 1 1 76 76 TYR CD1 C 13 132.275 0.194 . 1 . . . . . TYR CD . 6536 1 656 . 1 1 76 76 TYR CE1 C 13 125.431 39.884 . 1 . . . . . TYR CE . 6536 1 657 . 1 1 76 76 TYR N N 15 118.865 0.040 . 1 . . . . . TYR N . 6536 1 658 . 1 1 77 77 ILE H H 1 9.366 0.013 . 1 . . . . . ILE H . 6536 1 659 . 1 1 77 77 ILE HA H 1 4.471 0.020 . 1 . . . . . ILE HA . 6536 1 660 . 1 1 77 77 ILE HB H 1 1.619 0.018 . 1 . . . . . ILE HB . 6536 1 661 . 1 1 77 77 ILE HG21 H 1 0.966 0.012 . 1 . . . . . ILE HG2 . 6536 1 662 . 1 1 77 77 ILE HG22 H 1 0.966 0.012 . 1 . . . . . ILE HG2 . 6536 1 663 . 1 1 77 77 ILE HG23 H 1 0.966 0.012 . 1 . . . . . ILE HG2 . 6536 1 664 . 1 1 77 77 ILE HD11 H 1 0.553 0.016 . 1 . . . . . ILE HD1 . 6536 1 665 . 1 1 77 77 ILE HD12 H 1 0.553 0.016 . 1 . . . . . ILE HD1 . 6536 1 666 . 1 1 77 77 ILE HD13 H 1 0.553 0.016 . 1 . . . . . ILE HD1 . 6536 1 667 . 1 1 77 77 ILE C C 13 175.363 0.002 . 1 . . . . . ILE C . 6536 1 668 . 1 1 77 77 ILE CA C 13 59.762 0.041 . 1 . . . . . ILE CA . 6536 1 669 . 1 1 77 77 ILE CB C 13 43.145 0.045 . 1 . . . . . ILE CB . 6536 1 670 . 1 1 77 77 ILE CG2 C 13 18.274 0.043 . 1 . . . . . ILE CG2 . 6536 1 671 . 1 1 77 77 ILE CD1 C 13 16.869 0.034 . 1 . . . . . ILE CD1 . 6536 1 672 . 1 1 77 77 ILE N N 15 119.706 0.028 . 1 . . . . . ILE N . 6536 1 673 . 1 1 78 78 LYS H H 1 9.477 0.020 . 1 . . . . . LYS H . 6536 1 674 . 1 1 78 78 LYS HA H 1 4.457 0.013 . 1 . . . . . LYS HA . 6536 1 675 . 1 1 78 78 LYS HB2 H 1 1.763 0.012 . 1 . . . . . LYS HB . 6536 1 676 . 1 1 78 78 LYS HB3 H 1 1.763 0.012 . 1 . . . . . LYS HB . 6536 1 677 . 1 1 78 78 LYS HG2 H 1 1.356 0.014 . 1 . . . . . LYS HG . 6536 1 678 . 1 1 78 78 LYS HG3 H 1 1.356 0.014 . 1 . . . . . LYS HG . 6536 1 679 . 1 1 78 78 LYS HD2 H 1 1.606 0.002 . 1 . . . . . LYS HD . 6536 1 680 . 1 1 78 78 LYS HD3 H 1 1.606 0.002 . 1 . . . . . LYS HD . 6536 1 681 . 1 1 78 78 LYS HE2 H 1 2.874 0.018 . 1 . . . . . LYS HE . 6536 1 682 . 1 1 78 78 LYS HE3 H 1 2.874 0.018 . 1 . . . . . LYS HE . 6536 1 683 . 1 1 78 78 LYS C C 13 171.328 0.002 . 1 . . . . . LYS C . 6536 1 684 . 1 1 78 78 LYS CA C 13 57.318 0.032 . 1 . . . . . LYS CA . 6536 1 685 . 1 1 78 78 LYS CB C 13 32.841 0.002 . 1 . . . . . LYS CB . 6536 1 686 . 1 1 78 78 LYS CG C 13 26.150 0.002 . 1 . . . . . LYS CG . 6536 1 687 . 1 1 78 78 LYS N N 15 128.010 0.029 . 1 . . . . . LYS N . 6536 1 688 . 1 1 79 79 THR H H 1 7.897 0.010 . 1 . . . . . THR H . 6536 1 689 . 1 1 79 79 THR HA H 1 2.864 0.016 . 1 . . . . . THR HA . 6536 1 690 . 1 1 79 79 THR HB H 1 3.132 0.017 . 1 . . . . . THR HB . 6536 1 691 . 1 1 79 79 THR HG21 H 1 -0.187 0.021 . 1 . . . . . THR HG2 . 6536 1 692 . 1 1 79 79 THR HG22 H 1 -0.187 0.021 . 1 . . . . . THR HG2 . 6536 1 693 . 1 1 79 79 THR HG23 H 1 -0.187 0.021 . 1 . . . . . THR HG2 . 6536 1 694 . 1 1 79 79 THR C C 13 175.049 0.002 . 1 . . . . . THR C . 6536 1 695 . 1 1 79 79 THR CA C 13 65.323 0.028 . 1 . . . . . THR CA . 6536 1 696 . 1 1 79 79 THR CB C 13 67.198 0.061 . 1 . . . . . THR CB . 6536 1 697 . 1 1 79 79 THR CG2 C 13 19.628 0.128 . 1 . . . . . THR CG2 . 6536 1 698 . 1 1 79 79 THR N N 15 115.821 0.008 . 1 . . . . . THR N . 6536 1 699 . 1 1 80 80 THR H H 1 6.779 0.028 . 1 . . . . . THR H . 6536 1 700 . 1 1 80 80 THR HA H 1 4.125 0.012 . 1 . . . . . THR HA . 6536 1 701 . 1 1 80 80 THR HB H 1 4.360 0.002 . 1 . . . . . THR HB . 6536 1 702 . 1 1 80 80 THR HG21 H 1 1.146 0.013 . 1 . . . . . THR HG2 . 6536 1 703 . 1 1 80 80 THR HG22 H 1 1.146 0.013 . 1 . . . . . THR HG2 . 6536 1 704 . 1 1 80 80 THR HG23 H 1 1.146 0.013 . 1 . . . . . THR HG2 . 6536 1 705 . 1 1 80 80 THR C C 13 174.649 0.002 . 1 . . . . . THR C . 6536 1 706 . 1 1 80 80 THR CA C 13 61.784 0.006 . 1 . . . . . THR CA . 6536 1 707 . 1 1 80 80 THR CB C 13 68.660 0.011 . 1 . . . . . THR CB . 6536 1 708 . 1 1 80 80 THR CG2 C 13 22.163 0.021 . 1 . . . . . THR CG2 . 6536 1 709 . 1 1 80 80 THR N N 15 105.365 0.032 . 1 . . . . . THR N . 6536 1 710 . 1 1 81 81 ALA H H 1 7.827 0.016 . 1 . . . . . ALA H . 6536 1 711 . 1 1 81 81 ALA HA H 1 4.412 0.005 . 1 . . . . . ALA HA . 6536 1 712 . 1 1 81 81 ALA HB1 H 1 1.594 0.012 . 1 . . . . . ALA HB . 6536 1 713 . 1 1 81 81 ALA HB2 H 1 1.594 0.012 . 1 . . . . . ALA HB . 6536 1 714 . 1 1 81 81 ALA HB3 H 1 1.594 0.012 . 1 . . . . . ALA HB . 6536 1 715 . 1 1 81 81 ALA C C 13 173.600 0.002 . 1 . . . . . ALA C . 6536 1 716 . 1 1 81 81 ALA CA C 13 52.879 0.049 . 1 . . . . . ALA CA . 6536 1 717 . 1 1 81 81 ALA CB C 13 20.263 0.038 . 1 . . . . . ALA CB . 6536 1 718 . 1 1 81 81 ALA N N 15 122.805 0.034 . 1 . . . . . ALA N . 6536 1 719 . 1 1 82 82 VAL H H 1 7.098 0.025 . 1 . . . . . VAL H . 6536 1 720 . 1 1 82 82 VAL HA H 1 5.116 0.013 . 1 . . . . . VAL HA . 6536 1 721 . 1 1 82 82 VAL HB H 1 1.763 0.033 . 1 . . . . . VAL HB . 6536 1 722 . 1 1 82 82 VAL HG11 H 1 0.487 0.021 . 2 . . . . . VAL HG1 . 6536 1 723 . 1 1 82 82 VAL HG12 H 1 0.487 0.021 . 2 . . . . . VAL HG1 . 6536 1 724 . 1 1 82 82 VAL HG13 H 1 0.487 0.021 . 2 . . . . . VAL HG1 . 6536 1 725 . 1 1 82 82 VAL HG21 H 1 0.674 0.021 . 2 . . . . . VAL HG2 . 6536 1 726 . 1 1 82 82 VAL HG22 H 1 0.674 0.021 . 2 . . . . . VAL HG2 . 6536 1 727 . 1 1 82 82 VAL HG23 H 1 0.674 0.021 . 2 . . . . . VAL HG2 . 6536 1 728 . 1 1 82 82 VAL C C 13 176.094 0.002 . 1 . . . . . VAL C . 6536 1 729 . 1 1 82 82 VAL CA C 13 58.044 0.045 . 1 . . . . . VAL CA . 6536 1 730 . 1 1 82 82 VAL CB C 13 36.155 0.051 . 1 . . . . . VAL CB . 6536 1 731 . 1 1 82 82 VAL CG1 C 13 22.440 0.050 . 2 . . . . . VAL CG1 . 6536 1 732 . 1 1 82 82 VAL CG2 C 13 18.305 0.107 . 2 . . . . . VAL CG2 . 6536 1 733 . 1 1 82 82 VAL N N 15 107.302 0.032 . 1 . . . . . VAL N . 6536 1 734 . 1 1 83 83 GLU H H 1 8.501 0.015 . 1 . . . . . GLU H . 6536 1 735 . 1 1 83 83 GLU HA H 1 4.709 0.020 . 1 . . . . . GLU HA . 6536 1 736 . 1 1 83 83 GLU HB2 H 1 1.817 0.035 . 2 . . . . . GLU HB2 . 6536 1 737 . 1 1 83 83 GLU HB3 H 1 1.913 0.002 . 2 . . . . . GLU HB3 . 6536 1 738 . 1 1 83 83 GLU HG2 H 1 2.135 0.034 . 1 . . . . . GLU HG . 6536 1 739 . 1 1 83 83 GLU HG3 H 1 2.135 0.034 . 1 . . . . . GLU HG . 6536 1 740 . 1 1 83 83 GLU C C 13 173.725 0.002 . 1 . . . . . GLU C . 6536 1 741 . 1 1 83 83 GLU N N 15 119.286 0.042 . 1 . . . . . GLU N . 6536 1 742 . 1 1 84 84 ILE H H 1 8.780 0.013 . 1 . . . . . ILE H . 6536 1 743 . 1 1 84 84 ILE HA H 1 3.876 0.016 . 1 . . . . . ILE HA . 6536 1 744 . 1 1 84 84 ILE HB H 1 1.385 0.011 . 1 . . . . . ILE HB . 6536 1 745 . 1 1 84 84 ILE HG12 H 1 0.684 0.016 . 2 . . . . . ILE HG12 . 6536 1 746 . 1 1 84 84 ILE HG13 H 1 0.687 0.018 . 2 . . . . . ILE HG13 . 6536 1 747 . 1 1 84 84 ILE HG21 H 1 0.287 0.031 . 1 . . . . . ILE HG2 . 6536 1 748 . 1 1 84 84 ILE HG22 H 1 0.287 0.031 . 1 . . . . . ILE HG2 . 6536 1 749 . 1 1 84 84 ILE HG23 H 1 0.287 0.031 . 1 . . . . . ILE HG2 . 6536 1 750 . 1 1 84 84 ILE HD11 H 1 0.139 0.011 . 1 . . . . . ILE HD1 . 6536 1 751 . 1 1 84 84 ILE HD12 H 1 0.139 0.011 . 1 . . . . . ILE HD1 . 6536 1 752 . 1 1 84 84 ILE HD13 H 1 0.139 0.011 . 1 . . . . . ILE HD1 . 6536 1 753 . 1 1 84 84 ILE C C 13 175.331 0.002 . 1 . . . . . ILE C . 6536 1 754 . 1 1 84 84 ILE CA C 13 61.771 0.262 . 1 . . . . . ILE CA . 6536 1 755 . 1 1 84 84 ILE CB C 13 38.687 0.043 . 1 . . . . . ILE CB . 6536 1 756 . 1 1 84 84 ILE CG1 C 13 28.214 0.002 . 1 . . . . . ILE CG1 . 6536 1 757 . 1 1 84 84 ILE CG2 C 13 12.443 0.035 . 1 . . . . . ILE CG2 . 6536 1 758 . 1 1 84 84 ILE CD1 C 13 16.879 0.002 . 1 . . . . . ILE CD1 . 6536 1 759 . 1 1 84 84 ILE N N 15 125.569 0.113 . 1 . . . . . ILE N . 6536 1 760 . 1 1 85 85 ASP H H 1 8.492 0.013 . 1 . . . . . ASP H . 6536 1 761 . 1 1 85 85 ASP HA H 1 4.671 0.005 . 1 . . . . . ASP HA . 6536 1 762 . 1 1 85 85 ASP HB2 H 1 2.354 0.010 . 2 . . . . . ASP HB2 . 6536 1 763 . 1 1 85 85 ASP HB3 H 1 2.662 0.011 . 2 . . . . . ASP HB3 . 6536 1 764 . 1 1 85 85 ASP C C 13 173.713 0.002 . 1 . . . . . ASP C . 6536 1 765 . 1 1 85 85 ASP N N 15 125.688 0.066 . 1 . . . . . ASP N . 6536 1 766 . 1 1 86 86 TYR H H 1 8.329 0.011 . 1 . . . . . TYR H . 6536 1 767 . 1 1 86 86 TYR HA H 1 4.286 0.042 . 1 . . . . . TYR HA . 6536 1 768 . 1 1 86 86 TYR HB2 H 1 2.836 0.009 . 1 . . . . . TYR HB2 . 6536 1 769 . 1 1 86 86 TYR HB3 H 1 3.086 0.011 . 1 . . . . . TYR HB3 . 6536 1 770 . 1 1 86 86 TYR HD1 H 1 7.090 0.018 . 1 . . . . . TYR HD . 6536 1 771 . 1 1 86 86 TYR HE1 H 1 6.732 0.024 . 1 . . . . . TYR HE . 6536 1 772 . 1 1 86 86 TYR C C 13 173.280 0.002 . 1 . . . . . TYR C . 6536 1 773 . 1 1 86 86 TYR CA C 13 59.843 0.017 . 1 . . . . . TYR CA . 6536 1 774 . 1 1 86 86 TYR CB C 13 38.537 0.109 . 1 . . . . . TYR CB . 6536 1 775 . 1 1 86 86 TYR CD1 C 13 133.226 0.073 . 1 . . . . . TYR CD . 6536 1 776 . 1 1 86 86 TYR CE1 C 13 118.120 0.187 . 1 . . . . . TYR CE . 6536 1 777 . 1 1 86 86 TYR N N 15 123.735 0.065 . 1 . . . . . TYR N . 6536 1 778 . 1 1 87 87 ASP H H 1 8.407 0.025 . 1 . . . . . ASP H . 6536 1 779 . 1 1 87 87 ASP HA H 1 4.597 0.002 . 1 . . . . . ASP HA . 6536 1 780 . 1 1 87 87 ASP HB2 H 1 2.708 0.002 . 1 . . . . . ASP HB . 6536 1 781 . 1 1 87 87 ASP HB3 H 1 2.708 0.002 . 1 . . . . . ASP HB . 6536 1 782 . 1 1 87 87 ASP C C 13 172.573 0.002 . 1 . . . . . ASP C . 6536 1 783 . 1 1 87 87 ASP N N 15 120.806 0.108 . 1 . . . . . ASP N . 6536 1 784 . 1 1 88 88 SER H H 1 8.070 0.042 . 1 . . . . . SER H . 6536 1 785 . 1 1 88 88 SER C C 13 174.544 0.002 . 1 . . . . . SER C . 6536 1 786 . 1 1 88 88 SER N N 15 116.163 0.006 . 1 . . . . . SER N . 6536 1 787 . 1 1 89 89 LEU H H 1 7.975 0.016 . 1 . . . . . LEU H . 6536 1 788 . 1 1 89 89 LEU C C 13 172.129 0.002 . 1 . . . . . LEU C . 6536 1 789 . 1 1 89 89 LEU N N 15 122.594 0.037 . 1 . . . . . LEU N . 6536 1 790 . 1 1 90 90 LYS H H 1 7.917 0.019 . 1 . . . . . LYS H . 6536 1 791 . 1 1 90 90 LYS N N 15 120.037 0.048 . 1 . . . . . LYS N . 6536 1 792 . 1 1 91 91 LEU H H 1 7.914 0.002 . 1 . . . . . LEU H . 6536 1 793 . 1 1 91 91 LEU N N 15 121.017 0.002 . 1 . . . . . LEU N . 6536 1 794 . 1 1 92 92 LYS H H 1 8.045 0.002 . 1 . . . . . LYS H . 6536 1 795 . 1 1 92 92 LYS N N 15 121.247 0.002 . 1 . . . . . LYS N . 6536 1 796 . 1 1 93 93 LYS H H 1 8.535 0.002 . 1 . . . . . LYS H . 6536 1 797 . 1 1 93 93 LYS N N 15 122.715 0.002 . 1 . . . . . LYS N . 6536 1 798 . 1 1 94 94 ASP H H 1 8.308 0.015 . 1 . . . . . ASP H . 6536 1 799 . 1 1 94 94 ASP N N 15 121.044 0.008 . 1 . . . . . ASP N . 6536 1 800 . 1 1 95 95 LEU H H 1 8.095 0.002 . 1 . . . . . LEU H . 6536 1 801 . 1 1 95 95 LEU N N 15 121.366 0.002 . 1 . . . . . LEU N . 6536 1 802 . 1 1 96 96 GLU H H 1 8.164 0.003 . 1 . . . . . GLU H . 6536 1 803 . 1 1 96 96 GLU N N 15 120.092 0.007 . 1 . . . . . GLU N . 6536 1 stop_ save_