data_6519 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6519 _Entry.Title ; Chemical shift assignments of Calsensin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-02-19 _Entry.Accession_date 2005-02-21 _Entry.Last_release_date 2005-07-25 _Entry.Original_release_date 2005-07-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Deepa Venkitaramani . V. . 6519 2 D. Fulton . Bruce . 6519 3 Amy Andreotti . H. . 6519 4 Kristen Johansen . M. . 6519 5 Jorgen Johansen . . . 6519 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6519 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 217 6519 '15N chemical shifts' 79 6519 '1H chemical shifts' 467 6519 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 . . 2005-07-25 2005-02-19 original author . 6519 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6519 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15937283 _Citation.Full_citation . _Citation.Title ; Solution structure and backbone dynamics of Calsensin, an invertebrate neuronal calcium-binding protein. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue 7 _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 1894 _Citation.Page_last 1901 _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 Deepa Venkitaramani . V. . 6519 1 2 D. Fulton . Bruce . 6519 1 3 Amy Andreotti . H. . 6519 1 4 Kristen Johansen . H. . 6519 1 5 Jorgen Johansen . . . 6519 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6519 _Assembly.ID 1 _Assembly.Name Calsensin _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 'not reported' _Assembly.Molecular_mass 9101 _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 Calsensin 1 $Calsensin . . yes native no no . . . 6519 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID calcium-binding 6519 1 stop_ loop_ _Assembly_keyword.Keyword _Assembly_keyword.Entry_ID _Assembly_keyword.Assembly_ID 'calcium-binding protein' 6519 1 Calsensin 6519 1 EF-hand 6519 1 helix-loop-helix 6519 1 'nervous system' 6519 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Calsensin _Entity.Sf_category entity _Entity.Sf_framecode Calsensin _Entity.Entry_ID 6519 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Calsensin _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 ; MACKVKAELEAAFKKLDANG DGYVTALELQTFMVTLDAYK ALSKDKVKEASAKLIKMADK NSDGKISKEEFLNANAELLC QLK ; _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 83 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16762 . Calsensin . . . . . 100.00 83 100.00 100.00 9.39e-49 . . . . 6519 1 2 no PDB 1YX7 . "Nmr Structure Of Calsensin, Energy Minimized Average Structure." . . . . . 100.00 83 100.00 100.00 9.39e-49 . . . . 6519 1 3 no PDB 1YX8 . "Nmr Structure Of Calsensin, 20 Low Energy Structures." . . . . . 100.00 83 100.00 100.00 9.39e-49 . . . . 6519 1 4 no GB AAC46630 . "calsensin [Haemopis marmorata]" . . . . . 100.00 83 100.00 100.00 9.39e-49 . . . . 6519 1 5 no SP Q25088 . "RecName: Full=Calsensin; AltName: Full=LAN3-6 antigen [Haemopis marmorata]" . . . . . 100.00 83 100.00 100.00 9.39e-49 . . . . 6519 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 . MET . 6519 1 2 . ALA . 6519 1 3 . CYS . 6519 1 4 . LYS . 6519 1 5 . VAL . 6519 1 6 . LYS . 6519 1 7 . ALA . 6519 1 8 . GLU . 6519 1 9 . LEU . 6519 1 10 . GLU . 6519 1 11 . ALA . 6519 1 12 . ALA . 6519 1 13 . PHE . 6519 1 14 . LYS . 6519 1 15 . LYS . 6519 1 16 . LEU . 6519 1 17 . ASP . 6519 1 18 . ALA . 6519 1 19 . ASN . 6519 1 20 . GLY . 6519 1 21 . ASP . 6519 1 22 . GLY . 6519 1 23 . TYR . 6519 1 24 . VAL . 6519 1 25 . THR . 6519 1 26 . ALA . 6519 1 27 . LEU . 6519 1 28 . GLU . 6519 1 29 . LEU . 6519 1 30 . GLN . 6519 1 31 . THR . 6519 1 32 . PHE . 6519 1 33 . MET . 6519 1 34 . VAL . 6519 1 35 . THR . 6519 1 36 . LEU . 6519 1 37 . ASP . 6519 1 38 . ALA . 6519 1 39 . TYR . 6519 1 40 . LYS . 6519 1 41 . ALA . 6519 1 42 . LEU . 6519 1 43 . SER . 6519 1 44 . LYS . 6519 1 45 . ASP . 6519 1 46 . LYS . 6519 1 47 . VAL . 6519 1 48 . LYS . 6519 1 49 . GLU . 6519 1 50 . ALA . 6519 1 51 . SER . 6519 1 52 . ALA . 6519 1 53 . LYS . 6519 1 54 . LEU . 6519 1 55 . ILE . 6519 1 56 . LYS . 6519 1 57 . MET . 6519 1 58 . ALA . 6519 1 59 . ASP . 6519 1 60 . LYS . 6519 1 61 . ASN . 6519 1 62 . SER . 6519 1 63 . ASP . 6519 1 64 . GLY . 6519 1 65 . LYS . 6519 1 66 . ILE . 6519 1 67 . SER . 6519 1 68 . LYS . 6519 1 69 . GLU . 6519 1 70 . GLU . 6519 1 71 . PHE . 6519 1 72 . LEU . 6519 1 73 . ASN . 6519 1 74 . ALA . 6519 1 75 . ASN . 6519 1 76 . ALA . 6519 1 77 . GLU . 6519 1 78 . LEU . 6519 1 79 . LEU . 6519 1 80 . CYS . 6519 1 81 . GLN . 6519 1 82 . LEU . 6519 1 83 . LYS . 6519 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6519 1 . ALA 2 2 6519 1 . CYS 3 3 6519 1 . LYS 4 4 6519 1 . VAL 5 5 6519 1 . LYS 6 6 6519 1 . ALA 7 7 6519 1 . GLU 8 8 6519 1 . LEU 9 9 6519 1 . GLU 10 10 6519 1 . ALA 11 11 6519 1 . ALA 12 12 6519 1 . PHE 13 13 6519 1 . LYS 14 14 6519 1 . LYS 15 15 6519 1 . LEU 16 16 6519 1 . ASP 17 17 6519 1 . ALA 18 18 6519 1 . ASN 19 19 6519 1 . GLY 20 20 6519 1 . ASP 21 21 6519 1 . GLY 22 22 6519 1 . TYR 23 23 6519 1 . VAL 24 24 6519 1 . THR 25 25 6519 1 . ALA 26 26 6519 1 . LEU 27 27 6519 1 . GLU 28 28 6519 1 . LEU 29 29 6519 1 . GLN 30 30 6519 1 . THR 31 31 6519 1 . PHE 32 32 6519 1 . MET 33 33 6519 1 . VAL 34 34 6519 1 . THR 35 35 6519 1 . LEU 36 36 6519 1 . ASP 37 37 6519 1 . ALA 38 38 6519 1 . TYR 39 39 6519 1 . LYS 40 40 6519 1 . ALA 41 41 6519 1 . LEU 42 42 6519 1 . SER 43 43 6519 1 . LYS 44 44 6519 1 . ASP 45 45 6519 1 . LYS 46 46 6519 1 . VAL 47 47 6519 1 . LYS 48 48 6519 1 . GLU 49 49 6519 1 . ALA 50 50 6519 1 . SER 51 51 6519 1 . ALA 52 52 6519 1 . LYS 53 53 6519 1 . LEU 54 54 6519 1 . ILE 55 55 6519 1 . LYS 56 56 6519 1 . MET 57 57 6519 1 . ALA 58 58 6519 1 . ASP 59 59 6519 1 . LYS 60 60 6519 1 . ASN 61 61 6519 1 . SER 62 62 6519 1 . ASP 63 63 6519 1 . GLY 64 64 6519 1 . LYS 65 65 6519 1 . ILE 66 66 6519 1 . SER 67 67 6519 1 . LYS 68 68 6519 1 . GLU 69 69 6519 1 . GLU 70 70 6519 1 . PHE 71 71 6519 1 . LEU 72 72 6519 1 . ASN 73 73 6519 1 . ALA 74 74 6519 1 . ASN 75 75 6519 1 . ALA 76 76 6519 1 . GLU 77 77 6519 1 . LEU 78 78 6519 1 . LEU 79 79 6519 1 . CYS 80 80 6519 1 . GLN 81 81 6519 1 . LEU 82 82 6519 1 . LYS 83 83 6519 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 6519 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Calsensin . 38567 . no . Leech . . Eukaryota Metazoa Haemopis marmorata . . . . . . . . . . . . . . . . . . . . . 6519 1 stop_ loop_ _Natural_source_db.Entity_natural_src_ID _Natural_source_db.Entity_ID _Natural_source_db.Entity_label _Natural_source_db.Entity_chimera_segment_ID _Natural_source_db.Database_code _Natural_source_db.Database_type _Natural_source_db.Entry_code _Natural_source_db.Entry_type _Natural_source_db.ORF_code _Natural_source_db.Gene_locus_code _Natural_source_db.Gene_cDNA_code _Natural_source_db.Entry_ID _Natural_source_db.Entity_natural_src_list_ID 1 1 $Calsensin . GenBank . U22066 . . . . 6519 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 6519 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Calsensin . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6519 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6519 _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 Calsensin '[U-95% 13C; U-98% 15N]' . . 1 $Calsensin . protein 1.7 . . mM . . . . 6519 1 2 'Sodium chloride' . . . . . . salt 75 . . mM . . . . 6519 1 3 'Sodium Phosphate' . . . . . . salt 50 . . mM . . . . 6519 1 4 Dithiothreotol . . . . . . . 2 . . mM . . . . 6519 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 6519 _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' 0.125 0.02 M 6519 1 pH 6.0 0.05 pH 6519 1 temperature 298 0.5 K 6519 1 stop_ save_ ############################ # Computer software used # ############################ save_software _Software.Sf_category software _Software.Sf_framecode software _Software.Entry_ID 6519 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Phasing 6519 1 'Spectrum acquisition' 6519 1 stop_ save_ save_software2 _Software.Sf_category software _Software.Sf_framecode software2 _Software.Entry_ID 6519 _Software.ID 2 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Assignments 6519 2 'restraint generation' 6519 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6519 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 6519 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6519 1 2 '3D 1H-15N TOCSY' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6519 1 3 '3D 1H-13C NOESY' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6519 1 4 '3D 1H-13N HCCH' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6519 1 5 '3D 1H-13C-15N HNCACB' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6519 1 6 '3D 1H-13C-15N HN(CO)CACB' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6519 1 7 '3D 15N-15N-1H NOESY' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6519 1 8 '2D 1H-15NHSQC' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6519 1 9 '2D 1H-1H NOESY' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6519 1 10 '2D 1H-1H COSY' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6519 1 11 '2D 1H-1H TOCSY' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6519 1 stop_ save_ save_1H-15NHSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H-15NHSQC _NMR_spec_expt.Entry_ID 6519 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H-15NHSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 6519 _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 external indirect 0.251449530 . . . . . . . . . 6519 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6519 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 . . . . . . . . . 6519 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 6519 _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 '3D 1H-15N NOESY' 1 $sample_1 isotropic 6519 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 6 6 LYS CA C 13 60.762 . . 1 . . . . 6 LYS CA . 6519 1 2 . 1 1 6 6 LYS CB C 13 32.515 . . 1 . . . . 6 LYS CB . 6519 1 3 . 1 1 6 6 LYS CG C 13 25.369 . . 1 . . . . 6 LYS CG . 6519 1 4 . 1 1 6 6 LYS CD C 13 30.587 . . 1 . . . . 6 LYS CD . 6519 1 5 . 1 1 7 7 ALA H H 1 8.011 . . 1 . . . . 7 ALA H . 6519 1 6 . 1 1 7 7 ALA HA H 1 4.243 . . 1 . . . . 7 ALA HA . 6519 1 7 . 1 1 7 7 ALA HB1 H 1 1.548 . . 1 . . . . 7 ALA HB1 . 6519 1 8 . 1 1 7 7 ALA HB2 H 1 1.548 . . 1 . . . . 7 ALA HB2 . 6519 1 9 . 1 1 7 7 ALA HB3 H 1 1.548 . . 1 . . . . 7 ALA HB3 . 6519 1 10 . 1 1 7 7 ALA CA C 13 55.883 . . 1 . . . . 7 ALA CA . 6519 1 11 . 1 1 7 7 ALA CB C 13 18.900 . . 1 . . . . 7 ALA CB . 6519 1 12 . 1 1 7 7 ALA N N 15 122.132 . . 1 . . . . 7 ALA N . 6519 1 13 . 1 1 8 8 GLU H H 1 8.217 . . 1 . . . . 8 GLU H . 6519 1 14 . 1 1 8 8 GLU HA H 1 4.172 . . 1 . . . . 8 GLU HA . 6519 1 15 . 1 1 8 8 GLU HB2 H 1 2.147 . . 2 . . . . 8 GLU HB2 . 6519 1 16 . 1 1 8 8 GLU HB3 H 1 2.270 . . 2 . . . . 8 GLU HB3 . 6519 1 17 . 1 1 8 8 GLU HG2 H 1 2.291 . . 2 . . . . 8 GLU HG2 . 6519 1 18 . 1 1 8 8 GLU HG3 H 1 2.470 . . 2 . . . . 8 GLU HG3 . 6519 1 19 . 1 1 8 8 GLU CA C 13 59.926 . . 1 . . . . 8 GLU CA . 6519 1 20 . 1 1 8 8 GLU CB C 13 30.394 . . 1 . . . . 8 GLU CB . 6519 1 21 . 1 1 8 8 GLU CG C 13 36.872 . . 1 . . . . 8 GLU CG . 6519 1 22 . 1 1 8 8 GLU N N 15 121.591 . . 1 . . . . 8 GLU N . 6519 1 23 . 1 1 9 9 LEU H H 1 8.565 . . 1 . . . . 9 LEU H . 6519 1 24 . 1 1 9 9 LEU HA H 1 4.273 . . 1 . . . . 9 LEU HA . 6519 1 25 . 1 1 9 9 LEU HB2 H 1 1.513 . . 2 . . . . 9 LEU HB2 . 6519 1 26 . 1 1 9 9 LEU HB3 H 1 2.193 . . 2 . . . . 9 LEU HB3 . 6519 1 27 . 1 1 9 9 LEU HG H 1 1.864 . . 1 . . . . 9 LEU HG . 6519 1 28 . 1 1 9 9 LEU HD11 H 1 0.967 . . 4 . . . . 9 LEU HD11 . 6519 1 29 . 1 1 9 9 LEU HD12 H 1 0.967 . . 4 . . . . 9 LEU HD11 . 6519 1 30 . 1 1 9 9 LEU HD13 H 1 0.967 . . 4 . . . . 9 LEU HD11 . 6519 1 31 . 1 1 9 9 LEU HD21 H 1 0.769 . . 4 . . . . 9 LEU HD21 . 6519 1 32 . 1 1 9 9 LEU HD22 H 1 0.769 . . 4 . . . . 9 LEU HD21 . 6519 1 33 . 1 1 9 9 LEU HD23 H 1 0.769 . . 4 . . . . 9 LEU HD21 . 6519 1 34 . 1 1 9 9 LEU CA C 13 59.047 . . 1 . . . . 9 LEU CA . 6519 1 35 . 1 1 9 9 LEU CB C 13 43.020 . . 1 . . . . 9 LEU CB . 6519 1 36 . 1 1 9 9 LEU CG C 13 27.051 . . 1 . . . . 9 LEU CG . 6519 1 37 . 1 1 9 9 LEU CD1 C 13 26.726 . . 2 . . . . 9 LEU CD1 . 6519 1 38 . 1 1 9 9 LEU CD2 C 13 24.726 . . 1 . . . . 9 LEU CD2 . 6519 1 39 . 1 1 9 9 LEU N N 15 123.997 . . 1 . . . . 9 LEU N . 6519 1 40 . 1 1 10 10 GLU H H 1 8.626 . . 1 . . . . 10 GLU H . 6519 1 41 . 1 1 10 10 GLU HA H 1 3.875 . . 1 . . . . 10 GLU HA . 6519 1 42 . 1 1 10 10 GLU HB2 H 1 2.173 . . 2 . . . . 10 GLU HB2 . 6519 1 43 . 1 1 10 10 GLU HG2 H 1 2.451 . . 2 . . . . 10 GLU HG2 . 6519 1 44 . 1 1 10 10 GLU CA C 13 61.239 . . 1 . . . . 10 GLU CA . 6519 1 45 . 1 1 10 10 GLU CB C 13 30.167 . . 1 . . . . 10 GLU CB . 6519 1 46 . 1 1 10 10 GLU N N 15 121.235 . . 1 . . . . 10 GLU N . 6519 1 47 . 1 1 11 11 ALA H H 1 7.948 . . 1 . . . . 11 ALA H . 6519 1 48 . 1 1 11 11 ALA HA H 1 4.103 . . 1 . . . . 11 ALA HA . 6519 1 49 . 1 1 11 11 ALA HB1 H 1 1.533 . . 1 . . . . 11 ALA HB1 . 6519 1 50 . 1 1 11 11 ALA HB2 H 1 1.533 . . 1 . . . . 11 ALA HB1 . 6519 1 51 . 1 1 11 11 ALA HB3 H 1 1.533 . . 1 . . . . 11 ALA HB1 . 6519 1 52 . 1 1 11 11 ALA CA C 13 55.377 . . 1 . . . . 11 ALA CA . 6519 1 53 . 1 1 11 11 ALA CB C 13 18.847 . . 1 . . . . 11 ALA CB . 6519 1 54 . 1 1 11 11 ALA N N 15 122.620 . . 1 . . . . 11 ALA N . 6519 1 55 . 1 1 12 12 ALA H H 1 8.099 . . 1 . . . . 12 ALA H . 6519 1 56 . 1 1 12 12 ALA HA H 1 4.050 . . 1 . . . . 12 ALA HA . 6519 1 57 . 1 1 12 12 ALA HB1 H 1 1.610 . . 1 . . . . 12 ALA HB1 . 6519 1 58 . 1 1 12 12 ALA HB2 H 1 1.610 . . 1 . . . . 12 ALA HB1 . 6519 1 59 . 1 1 12 12 ALA HB3 H 1 1.610 . . 1 . . . . 12 ALA HB1 . 6519 1 60 . 1 1 12 12 ALA CA C 13 55.501 . . 1 . . . . 12 ALA CA . 6519 1 61 . 1 1 12 12 ALA CB C 13 18.475 . . 1 . . . . 12 ALA CB . 6519 1 62 . 1 1 12 12 ALA N N 15 123.025 . . 1 . . . . 12 ALA N . 6519 1 63 . 1 1 13 13 PHE H H 1 8.429 . . 1 . . . . 13 PHE H . 6519 1 64 . 1 1 13 13 PHE HA H 1 4.348 . . 1 . . . . 13 PHE HA . 6519 1 65 . 1 1 13 13 PHE HB2 H 1 2.871 . . 2 . . . . 13 PHE HB2 . 6519 1 66 . 1 1 13 13 PHE HB3 H 1 2.605 . . 2 . . . . 13 PHE HB3 . 6519 1 67 . 1 1 13 13 PHE HD1 H 1 6.489 . . 2 . . . . 13 PHE HD1 . 6519 1 68 . 1 1 13 13 PHE HE1 H 1 6.982 . . 2 . . . . 13 PHE HE1 . 6519 1 69 . 1 1 13 13 PHE HZ H 1 6.790 . . 1 . . . . 13 PHE HZ . 6519 1 70 . 1 1 13 13 PHE CA C 13 62.935 . . 1 . . . . 13 PHE CA . 6519 1 71 . 1 1 13 13 PHE CB C 13 38.916 . . 1 . . . . 13 PHE CB . 6519 1 72 . 1 1 13 13 PHE N N 15 120.635 . . 1 . . . . 13 PHE N . 6519 1 73 . 1 1 14 14 LYS H H 1 7.652 . . 1 . . . . 14 LYS H . 6519 1 74 . 1 1 14 14 LYS HA H 1 3.803 . . 1 . . . . 14 LYS HA . 6519 1 75 . 1 1 14 14 LYS HB2 H 1 1.877 . . 2 . . . . 14 LYS HB2 . 6519 1 76 . 1 1 14 14 LYS HG2 H 1 1.492 . . 2 . . . . 14 LYS HG2 . 6519 1 77 . 1 1 14 14 LYS HD2 H 1 1.614 . . 2 . . . . 14 LYS HD2 . 6519 1 78 . 1 1 14 14 LYS HD3 H 1 1.684 . . 2 . . . . 14 LYS HD3 . 6519 1 79 . 1 1 14 14 LYS HE2 H 1 3.059 . . 2 . . . . 14 LYS HE2 . 6519 1 80 . 1 1 14 14 LYS HE3 H 1 2.614 . . 2 . . . . 14 LYS HE3 . 6519 1 81 . 1 1 14 14 LYS CA C 13 59.762 . . 1 . . . . 14 LYS CA . 6519 1 82 . 1 1 14 14 LYS CB C 13 32.983 . . 1 . . . . 14 LYS CB . 6519 1 83 . 1 1 14 14 LYS CG C 13 25.919 . . 1 . . . . 14 LYS CG . 6519 1 84 . 1 1 14 14 LYS CD C 13 29.606 . . 1 . . . . 14 LYS CD . 6519 1 85 . 1 1 14 14 LYS CE C 13 42.705 . . 1 . . . . 14 LYS CE . 6519 1 86 . 1 1 14 14 LYS N N 15 117.179 . . 1 . . . . 14 LYS N . 6519 1 87 . 1 1 15 15 LYS H H 1 7.128 . . 1 . . . . 15 LYS H . 6519 1 88 . 1 1 15 15 LYS HA H 1 3.902 . . 1 . . . . 15 LYS HA . 6519 1 89 . 1 1 15 15 LYS HB2 H 1 1.723 . . 2 . . . . 15 LYS HB2 . 6519 1 90 . 1 1 15 15 LYS HG2 H 1 1.459 . . 2 . . . . 15 LYS HG2 . 6519 1 91 . 1 1 15 15 LYS HD2 H 1 1.237 . . 2 . . . . 15 LYS HD2 . 6519 1 92 . 1 1 15 15 LYS HE2 H 1 4.076 . . 2 . . . . 15 LYS HE2 . 6519 1 93 . 1 1 15 15 LYS HZ1 H 1 5.029 . . 1 . . . . 15 LYS HZ1 . 6519 1 94 . 1 1 15 15 LYS HZ2 H 1 5.029 . . 1 . . . . 15 LYS HZ1 . 6519 1 95 . 1 1 15 15 LYS HZ3 H 1 5.029 . . 1 . . . . 15 LYS HZ1 . 6519 1 96 . 1 1 15 15 LYS CA C 13 58.629 . . 1 . . . . 15 LYS CA . 6519 1 97 . 1 1 15 15 LYS CB C 13 32.870 . . 1 . . . . 15 LYS CB . 6519 1 98 . 1 1 15 15 LYS CG C 13 25.354 . . 1 . . . . 15 LYS CG . 6519 1 99 . 1 1 15 15 LYS CE C 13 42.705 . . 1 . . . . 15 LYS CE . 6519 1 100 . 1 1 15 15 LYS N N 15 117.895 . . 1 . . . . 15 LYS N . 6519 1 101 . 1 1 16 16 LEU H H 1 7.251 . . 1 . . . . 16 LEU H . 6519 1 102 . 1 1 16 16 LEU HA H 1 3.634 . . 1 . . . . 16 LEU HA . 6519 1 103 . 1 1 16 16 LEU HB2 H 1 0.877 . . 2 . . . . 16 LEU HB2 . 6519 1 104 . 1 1 16 16 LEU HB3 H 1 1.180 . . 2 . . . . 16 LEU HB3 . 6519 1 105 . 1 1 16 16 LEU HG H 1 1.100 . . 1 . . . . 16 LEU HG . 6519 1 106 . 1 1 16 16 LEU HD11 H 1 0.335 . . 4 . . . . 16 LEU HD11 . 6519 1 107 . 1 1 16 16 LEU HD12 H 1 0.335 . . 4 . . . . 16 LEU HD11 . 6519 1 108 . 1 1 16 16 LEU HD13 H 1 0.335 . . 4 . . . . 16 LEU HD11 . 6519 1 109 . 1 1 16 16 LEU HD21 H 1 0.258 . . 4 . . . . 16 LEU HD21 . 6519 1 110 . 1 1 16 16 LEU HD22 H 1 0.258 . . 4 . . . . 16 LEU HD21 . 6519 1 111 . 1 1 16 16 LEU HD23 H 1 0.258 . . 4 . . . . 16 LEU HD21 . 6519 1 112 . 1 1 16 16 LEU CA C 13 57.116 . . 1 . . . . 16 LEU CA . 6519 1 113 . 1 1 16 16 LEU CB C 13 44.612 . . 1 . . . . 16 LEU CB . 6519 1 114 . 1 1 16 16 LEU CG C 13 27.564 . . 1 . . . . 16 LEU CG . 6519 1 115 . 1 1 16 16 LEU CD1 C 13 25.749 . . 1 . . . . 16 LEU CD1 . 6519 1 116 . 1 1 16 16 LEU N N 15 119.267 . . 1 . . . . 16 LEU N . 6519 1 117 . 1 1 17 17 ASP H H 1 7.644 . . 1 . . . . 17 ASP H . 6519 1 118 . 1 1 17 17 ASP HA H 1 4.358 . . 1 . . . . 17 ASP HA . 6519 1 119 . 1 1 17 17 ASP HB2 H 1 1.633 . . 2 . . . . 17 ASP HB2 . 6519 1 120 . 1 1 17 17 ASP HB3 H 1 2.230 . . 2 . . . . 17 ASP HB3 . 6519 1 121 . 1 1 17 17 ASP CA C 13 52.787 . . 1 . . . . 17 ASP CA . 6519 1 122 . 1 1 17 17 ASP CB C 13 38.655 . . 1 . . . . 17 ASP CB . 6519 1 123 . 1 1 17 17 ASP N N 15 118.180 . . 1 . . . . 17 ASP N . 6519 1 124 . 1 1 18 18 ALA H H 1 7.608 . . 1 . . . . 18 ALA H . 6519 1 125 . 1 1 18 18 ALA HA H 1 4.034 . . 1 . . . . 18 ALA HA . 6519 1 126 . 1 1 18 18 ALA HB1 H 1 1.508 . . 1 . . . . 18 ALA HB1 . 6519 1 127 . 1 1 18 18 ALA HB2 H 1 1.508 . . 1 . . . . 18 ALA HB1 . 6519 1 128 . 1 1 18 18 ALA HB3 H 1 1.508 . . 1 . . . . 18 ALA HB1 . 6519 1 129 . 1 1 18 18 ALA CA C 13 55.344 . . 1 . . . . 18 ALA CA . 6519 1 130 . 1 1 18 18 ALA CB C 13 20.193 . . 1 . . . . 18 ALA CB . 6519 1 131 . 1 1 18 18 ALA N N 15 131.069 . . 1 . . . . 18 ALA N . 6519 1 132 . 1 1 19 19 ASN H H 1 7.860 . . 1 . . . . 19 ASN H . 6519 1 133 . 1 1 19 19 ASN HA H 1 4.775 . . 1 . . . . 19 ASN HA . 6519 1 134 . 1 1 19 19 ASN HB2 H 1 2.888 . . 2 . . . . 19 ASN HB2 . 6519 1 135 . 1 1 19 19 ASN HB3 H 1 3.323 . . 2 . . . . 19 ASN HB3 . 6519 1 136 . 1 1 19 19 ASN HD21 H 1 8.051 . . 2 . . . . 19 ASN HD21 . 6519 1 137 . 1 1 19 19 ASN HD22 H 1 6.572 . . 2 . . . . 19 ASN HD22 . 6519 1 138 . 1 1 19 19 ASN CA C 13 52.028 . . 1 . . . . 19 ASN CA . 6519 1 139 . 1 1 19 19 ASN CB C 13 38.040 . . 1 . . . . 19 ASN CB . 6519 1 140 . 1 1 19 19 ASN N N 15 112.633 . . 1 . . . . 19 ASN N . 6519 1 141 . 1 1 19 19 ASN ND2 N 15 114.479 . . 1 . . . . 19 ASN ND2 . 6519 1 142 . 1 1 20 20 GLY H H 1 7.758 . . 1 . . . . 20 GLY H . 6519 1 143 . 1 1 20 20 GLY HA2 H 1 3.788 . . 2 . . . . 20 GLY HA2 . 6519 1 144 . 1 1 20 20 GLY HA3 H 1 3.819 . . 2 . . . . 20 GLY HA3 . 6519 1 145 . 1 1 20 20 GLY CA C 13 48.065 . . 1 . . . . 20 GLY CA . 6519 1 146 . 1 1 20 20 GLY N N 15 111.540 . . 1 . . . . 20 GLY N . 6519 1 147 . 1 1 21 21 ASP H H 1 8.178 . . 1 . . . . 21 ASP H . 6519 1 148 . 1 1 21 21 ASP HA H 1 4.584 . . 1 . . . . 21 ASP HA . 6519 1 149 . 1 1 21 21 ASP HB2 H 1 2.503 . . 2 . . . . 21 ASP HB2 . 6519 1 150 . 1 1 21 21 ASP HB3 H 1 3.249 . . 2 . . . . 21 ASP HB3 . 6519 1 151 . 1 1 21 21 ASP CA C 13 53.978 . . 1 . . . . 21 ASP CA . 6519 1 152 . 1 1 21 21 ASP CB C 13 41.477 . . 1 . . . . 21 ASP CB . 6519 1 153 . 1 1 21 21 ASP N N 15 120.718 . . 1 . . . . 21 ASP N . 6519 1 154 . 1 1 22 22 GLY H H 1 10.438 . . 1 . . . . 22 GLY H . 6519 1 155 . 1 1 22 22 GLY HA2 H 1 3.473 . . 2 . . . . 22 GLY HA2 . 6519 1 156 . 1 1 22 22 GLY HA3 H 1 4.097 . . 2 . . . . 22 GLY HA3 . 6519 1 157 . 1 1 22 22 GLY CA C 13 45.940 . . 1 . . . . 22 GLY CA . 6519 1 158 . 1 1 22 22 GLY N N 15 113.144 . . 1 . . . . 22 GLY N . 6519 1 159 . 1 1 23 23 TYR H H 1 8.107 . . 1 . . . . 23 TYR H . 6519 1 160 . 1 1 23 23 TYR HA H 1 5.351 . . 1 . . . . 23 TYR HA . 6519 1 161 . 1 1 23 23 TYR HB2 H 1 2.470 . . 2 . . . . 23 TYR HB2 . 6519 1 162 . 1 1 23 23 TYR HB3 H 1 2.732 . . 2 . . . . 23 TYR HB3 . 6519 1 163 . 1 1 23 23 TYR HD1 H 1 6.727 . . 2 . . . . 23 TYR HD1 . 6519 1 164 . 1 1 23 23 TYR HE1 H 1 6.865 . . 2 . . . . 23 TYR HE1 . 6519 1 165 . 1 1 23 23 TYR CA C 13 56.960 . . 1 . . . . 23 TYR CA . 6519 1 166 . 1 1 23 23 TYR CB C 13 43.469 . . 1 . . . . 23 TYR CB . 6519 1 167 . 1 1 23 23 TYR N N 15 118.428 . . 1 . . . . 23 TYR N . 6519 1 168 . 1 1 24 24 VAL H H 1 10.037 . . 1 . . . . 24 VAL H . 6519 1 169 . 1 1 24 24 VAL HA H 1 4.904 . . 1 . . . . 24 VAL HA . 6519 1 170 . 1 1 24 24 VAL HB H 1 1.942 . . 1 . . . . 24 VAL HB . 6519 1 171 . 1 1 24 24 VAL HG11 H 1 0.243 . . 4 . . . . 24 VAL HG11 . 6519 1 172 . 1 1 24 24 VAL HG12 H 1 0.243 . . 4 . . . . 24 VAL HG11 . 6519 1 173 . 1 1 24 24 VAL HG13 H 1 0.243 . . 4 . . . . 24 VAL HG11 . 6519 1 174 . 1 1 24 24 VAL HG21 H 1 0.863 . . 4 . . . . 24 VAL HG21 . 6519 1 175 . 1 1 24 24 VAL HG22 H 1 0.863 . . 4 . . . . 24 VAL HG21 . 6519 1 176 . 1 1 24 24 VAL HG23 H 1 0.863 . . 4 . . . . 24 VAL HG21 . 6519 1 177 . 1 1 24 24 VAL CA C 13 62.052 . . 1 . . . . 24 VAL CA . 6519 1 178 . 1 1 24 24 VAL CB C 13 34.074 . . 1 . . . . 24 VAL CB . 6519 1 179 . 1 1 24 24 VAL CG1 C 13 24.017 . . 2 . . . . 24 VAL CG1 . 6519 1 180 . 1 1 24 24 VAL CG2 C 13 22.643 . . 2 . . . . 24 VAL CG2 . 6519 1 181 . 1 1 24 24 VAL N N 15 127.960 . . 1 . . . . 24 VAL N . 6519 1 182 . 1 1 25 25 THR H H 1 8.463 . . 1 . . . . 25 THR H . 6519 1 183 . 1 1 25 25 THR HA H 1 4.690 . . 1 . . . . 25 THR HA . 6519 1 184 . 1 1 25 25 THR HB H 1 4.805 . . 1 . . . . 25 THR HB . 6519 1 185 . 1 1 25 25 THR HG1 H 1 4.900 . . 1 . . . . 25 THR HG1 . 6519 1 186 . 1 1 25 25 THR HG21 H 1 1.255 . . 1 . . . . 25 THR HG21 . 6519 1 187 . 1 1 25 25 THR HG22 H 1 1.255 . . 1 . . . . 25 THR HG21 . 6519 1 188 . 1 1 25 25 THR HG23 H 1 1.255 . . 1 . . . . 25 THR HG21 . 6519 1 189 . 1 1 25 25 THR CA C 13 60.020 . . 1 . . . . 25 THR CA . 6519 1 190 . 1 1 25 25 THR CB C 13 72.379 . . 1 . . . . 25 THR CB . 6519 1 191 . 1 1 25 25 THR CG2 C 13 22.643 . . 1 . . . . 25 THR CG2 . 6519 1 192 . 1 1 25 25 THR N N 15 119.287 . . 1 . . . . 25 THR N . 6519 1 193 . 1 1 26 26 ALA H H 1 9.449 . . 1 . . . . 26 ALA H . 6519 1 194 . 1 1 26 26 ALA HA H 1 3.962 . . 1 . . . . 26 ALA HA . 6519 1 195 . 1 1 26 26 ALA HB1 H 1 1.464 . . 1 . . . . 26 ALA HB1 . 6519 1 196 . 1 1 26 26 ALA HB2 H 1 1.464 . . 1 . . . . 26 ALA HB1 . 6519 1 197 . 1 1 26 26 ALA HB3 H 1 1.464 . . 1 . . . . 26 ALA HB1 . 6519 1 198 . 1 1 26 26 ALA CA C 13 56.778 . . 1 . . . . 26 ALA CA . 6519 1 199 . 1 1 26 26 ALA CB C 13 18.264 . . 1 . . . . 26 ALA CB . 6519 1 200 . 1 1 26 26 ALA N N 15 124.696 . . 1 . . . . 26 ALA N . 6519 1 201 . 1 1 27 27 LEU H H 1 8.174 . . 1 . . . . 27 LEU H . 6519 1 202 . 1 1 27 27 LEU HA H 1 4.070 . . 1 . . . . 27 LEU HA . 6519 1 203 . 1 1 27 27 LEU HB2 H 1 1.628 . . 2 . . . . 27 LEU HB2 . 6519 1 204 . 1 1 27 27 LEU HB3 H 1 1.642 . . 2 . . . . 27 LEU HB3 . 6519 1 205 . 1 1 27 27 LEU HG H 1 1.464 . . 1 . . . . 27 LEU HG . 6519 1 206 . 1 1 27 27 LEU HD21 H 1 0.891 . . 4 . . . . 27 LEU HD21 . 6519 1 207 . 1 1 27 27 LEU HD22 H 1 0.891 . . 4 . . . . 27 LEU HD21 . 6519 1 208 . 1 1 27 27 LEU HD23 H 1 0.891 . . 4 . . . . 27 LEU HD21 . 6519 1 209 . 1 1 27 27 LEU CA C 13 58.700 . . 1 . . . . 27 LEU CA . 6519 1 210 . 1 1 27 27 LEU CB C 13 42.389 . . 1 . . . . 27 LEU CB . 6519 1 211 . 1 1 27 27 LEU CG C 13 28.096 . . 1 . . . . 27 LEU CG . 6519 1 212 . 1 1 27 27 LEU CD1 C 13 25.098 . . 1 . . . . 27 LEU CD1 . 6519 1 213 . 1 1 27 27 LEU CD2 C 13 23.745 . . 1 . . . . 27 LEU CD2 . 6519 1 214 . 1 1 27 27 LEU N N 15 119.166 . . 1 . . . . 27 LEU N . 6519 1 215 . 1 1 28 28 GLU H H 1 7.703 . . 1 . . . . 28 GLU H . 6519 1 216 . 1 1 28 28 GLU HA H 1 3.992 . . 1 . . . . 28 GLU HA . 6519 1 217 . 1 1 28 28 GLU HB2 H 1 2.619 . . 2 . . . . 28 GLU HB2 . 6519 1 218 . 1 1 28 28 GLU HB3 H 1 2.220 . . 2 . . . . 28 GLU HB3 . 6519 1 219 . 1 1 28 28 GLU HG2 H 1 2.678 . . 2 . . . . 28 GLU HG2 . 6519 1 220 . 1 1 28 28 GLU HG3 H 1 2.365 . . 2 . . . . 28 GLU HG3 . 6519 1 221 . 1 1 28 28 GLU CA C 13 60.272 . . 1 . . . . 28 GLU CA . 6519 1 222 . 1 1 28 28 GLU CB C 13 29.974 . . 1 . . . . 28 GLU CB . 6519 1 223 . 1 1 28 28 GLU CG C 13 38.338 . . 1 . . . . 28 GLU CG . 6519 1 224 . 1 1 28 28 GLU N N 15 122.665 . . 1 . . . . 28 GLU N . 6519 1 225 . 1 1 29 29 LEU H H 1 8.637 . . 1 . . . . 29 LEU H . 6519 1 226 . 1 1 29 29 LEU HA H 1 4.060 . . 1 . . . . 29 LEU HA . 6519 1 227 . 1 1 29 29 LEU HB2 H 1 1.719 . . 2 . . . . 29 LEU HB2 . 6519 1 228 . 1 1 29 29 LEU HB3 H 1 1.870 . . 2 . . . . 29 LEU HB3 . 6519 1 229 . 1 1 29 29 LEU HD21 H 1 0.886 . . 4 . . . . 29 LEU HD21 . 6519 1 230 . 1 1 29 29 LEU HD22 H 1 0.886 . . 4 . . . . 29 LEU HD21 . 6519 1 231 . 1 1 29 29 LEU HD23 H 1 0.886 . . 4 . . . . 29 LEU HD21 . 6519 1 232 . 1 1 29 29 LEU CA C 13 59.109 . . 1 . . . . 29 LEU CA . 6519 1 233 . 1 1 29 29 LEU CB C 13 42.714 . . 1 . . . . 29 LEU CB . 6519 1 234 . 1 1 29 29 LEU N N 15 123.013 . . 1 . . . . 29 LEU N . 6519 1 235 . 1 1 30 30 GLN H H 1 8.813 . . 1 . . . . 30 GLN H . 6519 1 236 . 1 1 30 30 GLN HA H 1 3.811 . . 1 . . . . 30 GLN HA . 6519 1 237 . 1 1 30 30 GLN HB2 H 1 2.096 . . 2 . . . . 30 GLN HB2 . 6519 1 238 . 1 1 30 30 GLN HG2 H 1 2.220 . . 2 . . . . 30 GLN HG2 . 6519 1 239 . 1 1 30 30 GLN HG3 H 1 2.616 . . 2 . . . . 30 GLN HG3 . 6519 1 240 . 1 1 30 30 GLN HE21 H 1 7.142 . . 2 . . . . 30 GLN HE21 . 6519 1 241 . 1 1 30 30 GLN HE22 H 1 6.997 . . 2 . . . . 30 GLN HE22 . 6519 1 242 . 1 1 30 30 GLN CA C 13 60.338 . . 1 . . . . 30 GLN CA . 6519 1 243 . 1 1 30 30 GLN CB C 13 28.973 . . 1 . . . . 30 GLN CB . 6519 1 244 . 1 1 30 30 GLN CG C 13 35.210 . . 1 . . . . 30 GLN CG . 6519 1 245 . 1 1 30 30 GLN N N 15 120.534 . . 1 . . . . 30 GLN N . 6519 1 246 . 1 1 30 30 GLN NE2 N 15 111.128 . . 1 . . . . 30 GLN NE2 . 6519 1 247 . 1 1 31 31 THR H H 1 8.146 . . 1 . . . . 31 THR H . 6519 1 248 . 1 1 31 31 THR HA H 1 4.291 . . 1 . . . . 31 THR HA . 6519 1 249 . 1 1 31 31 THR HB H 1 3.840 . . 1 . . . . 31 THR HB . 6519 1 250 . 1 1 31 31 THR HG1 H 1 0.930 . . 1 . . . . 31 THR HG1 . 6519 1 251 . 1 1 31 31 THR HG21 H 1 1.272 . . 1 . . . . 31 THR HG21 . 6519 1 252 . 1 1 31 31 THR HG22 H 1 1.272 . . 1 . . . . 31 THR HG21 . 6519 1 253 . 1 1 31 31 THR HG23 H 1 1.272 . . 1 . . . . 31 THR HG21 . 6519 1 254 . 1 1 31 31 THR CA C 13 66.974 . . 1 . . . . 31 THR CA . 6519 1 255 . 1 1 31 31 THR CB C 13 69.432 . . 1 . . . . 31 THR CB . 6519 1 256 . 1 1 31 31 THR CG2 C 13 21.693 . . 1 . . . . 31 THR CG2 . 6519 1 257 . 1 1 31 31 THR N N 15 115.685 . . 1 . . . . 31 THR N . 6519 1 258 . 1 1 32 32 PHE H H 1 7.490 . . 1 . . . . 32 PHE H . 6519 1 259 . 1 1 32 32 PHE HA H 1 4.431 . . 1 . . . . 32 PHE HA . 6519 1 260 . 1 1 32 32 PHE HB2 H 1 2.963 . . 2 . . . . 32 PHE HB2 . 6519 1 261 . 1 1 32 32 PHE HB3 H 1 3.367 . . 2 . . . . 32 PHE HB3 . 6519 1 262 . 1 1 32 32 PHE HD1 H 1 7.039 . . 2 . . . . 32 PHE HD1 . 6519 1 263 . 1 1 32 32 PHE HE1 H 1 7.375 . . 2 . . . . 32 PHE HE1 . 6519 1 264 . 1 1 32 32 PHE HZ H 1 7.190 . . 1 . . . . 32 PHE HZ . 6519 1 265 . 1 1 32 32 PHE CA C 13 61.475 . . 1 . . . . 32 PHE CA . 6519 1 266 . 1 1 32 32 PHE CB C 13 41.493 . . 1 . . . . 32 PHE CB . 6519 1 267 . 1 1 32 32 PHE N N 15 121.434 . . 1 . . . . 32 PHE N . 6519 1 268 . 1 1 33 33 MET H H 1 9.191 . . 1 . . . . 33 MET H . 6519 1 269 . 1 1 33 33 MET HA H 1 3.558 . . 1 . . . . 33 MET HA . 6519 1 270 . 1 1 33 33 MET HB2 H 1 1.798 . . 2 . . . . 33 MET HB2 . 6519 1 271 . 1 1 33 33 MET HG2 H 1 2.231 . . 2 . . . . 33 MET HG2 . 6519 1 272 . 1 1 33 33 MET HE1 H 1 0.909 . . 1 . . . . 33 MET HE1 . 6519 1 273 . 1 1 33 33 MET HE2 H 1 0.909 . . 1 . . . . 33 MET HE1 . 6519 1 274 . 1 1 33 33 MET HE3 H 1 0.909 . . 1 . . . . 33 MET HE1 . 6519 1 275 . 1 1 33 33 MET CA C 13 60.686 . . 1 . . . . 33 MET CA . 6519 1 276 . 1 1 33 33 MET CB C 13 34.488 . . 1 . . . . 33 MET CB . 6519 1 277 . 1 1 33 33 MET N N 15 121.493 . . 1 . . . . 33 MET N . 6519 1 278 . 1 1 34 34 VAL H H 1 7.196 . . 1 . . . . 34 VAL H . 6519 1 279 . 1 1 34 34 VAL HA H 1 3.935 . . 1 . . . . 34 VAL HA . 6519 1 280 . 1 1 34 34 VAL HB H 1 2.473 . . 1 . . . . 34 VAL HB . 6519 1 281 . 1 1 34 34 VAL HG11 H 1 1.113 . . 4 . . . . 34 VAL HG11 . 6519 1 282 . 1 1 34 34 VAL HG12 H 1 1.113 . . 4 . . . . 34 VAL HG11 . 6519 1 283 . 1 1 34 34 VAL HG13 H 1 1.113 . . 4 . . . . 34 VAL HG11 . 6519 1 284 . 1 1 34 34 VAL HG21 H 1 1.052 . . 4 . . . . 34 VAL HG21 . 6519 1 285 . 1 1 34 34 VAL HG22 H 1 1.052 . . 4 . . . . 34 VAL HG21 . 6519 1 286 . 1 1 34 34 VAL HG23 H 1 1.052 . . 4 . . . . 34 VAL HG21 . 6519 1 287 . 1 1 34 34 VAL CA C 13 64.761 . . 1 . . . . 34 VAL CA . 6519 1 288 . 1 1 34 34 VAL CB C 13 31.309 . . 1 . . . . 34 VAL CB . 6519 1 289 . 1 1 34 34 VAL CG1 C 13 22.208 . . 2 . . . . 34 VAL CG1 . 6519 1 290 . 1 1 34 34 VAL CG2 C 13 19.577 . . 2 . . . . 34 VAL CG2 . 6519 1 291 . 1 1 34 34 VAL N N 15 108.839 . . 1 . . . . 34 VAL N . 6519 1 292 . 1 1 35 35 THR H H 1 7.589 . . 1 . . . . 35 THR H . 6519 1 293 . 1 1 35 35 THR HA H 1 4.300 . . 1 . . . . 35 THR HA . 6519 1 294 . 1 1 35 35 THR HB H 1 3.849 . . 1 . . . . 35 THR HB . 6519 1 295 . 1 1 35 35 THR HG21 H 1 1.272 . . 1 . . . . 35 THR HG21 . 6519 1 296 . 1 1 35 35 THR HG22 H 1 1.272 . . 1 . . . . 35 THR HG21 . 6519 1 297 . 1 1 35 35 THR HG23 H 1 1.272 . . 1 . . . . 35 THR HG21 . 6519 1 298 . 1 1 35 35 THR CA C 13 62.821 . . 1 . . . . 35 THR CA . 6519 1 299 . 1 1 35 35 THR CB C 13 70.166 . . 1 . . . . 35 THR CB . 6519 1 300 . 1 1 35 35 THR CG2 C 13 21.533 . . 1 . . . . 35 THR CG2 . 6519 1 301 . 1 1 35 35 THR N N 15 111.312 . . 1 . . . . 35 THR N . 6519 1 302 . 1 1 36 36 LEU H H 1 7.820 . . 1 . . . . 36 LEU H . 6519 1 303 . 1 1 36 36 LEU HA H 1 4.513 . . 1 . . . . 36 LEU HA . 6519 1 304 . 1 1 36 36 LEU HB2 H 1 1.634 . . 2 . . . . 36 LEU HB2 . 6519 1 305 . 1 1 36 36 LEU HB3 H 1 2.236 . . 2 . . . . 36 LEU HB3 . 6519 1 306 . 1 1 36 36 LEU HG H 1 1.457 . . 1 . . . . 36 LEU HG . 6519 1 307 . 1 1 36 36 LEU HD11 H 1 0.624 . . 4 . . . . 36 LEU HD11 . 6519 1 308 . 1 1 36 36 LEU HD12 H 1 0.624 . . 4 . . . . 36 LEU HD11 . 6519 1 309 . 1 1 36 36 LEU HD13 H 1 0.624 . . 4 . . . . 36 LEU HD11 . 6519 1 310 . 1 1 36 36 LEU HD21 H 1 0.996 . . 4 . . . . 36 LEU HD21 . 6519 1 311 . 1 1 36 36 LEU HD22 H 1 0.996 . . 4 . . . . 36 LEU HD21 . 6519 1 312 . 1 1 36 36 LEU HD23 H 1 0.996 . . 4 . . . . 36 LEU HD21 . 6519 1 313 . 1 1 36 36 LEU CA C 13 53.814 . . 1 . . . . 36 LEU CA . 6519 1 314 . 1 1 36 36 LEU CB C 13 42.832 . . 1 . . . . 36 LEU CB . 6519 1 315 . 1 1 36 36 LEU CG C 13 26.529 . . 1 . . . . 36 LEU CG . 6519 1 316 . 1 1 36 36 LEU CD1 C 13 21.819 . . 2 . . . . 36 LEU CD1 . 6519 1 317 . 1 1 36 36 LEU CD2 C 13 22.611 . . 1 . . . . 36 LEU CD2 . 6519 1 318 . 1 1 36 36 LEU N N 15 124.653 . . 1 . . . . 36 LEU N . 6519 1 319 . 1 1 37 37 ASP H H 1 9.063 . . 1 . . . . 37 ASP H . 6519 1 320 . 1 1 37 37 ASP HA H 1 4.144 . . 1 . . . . 37 ASP HA . 6519 1 321 . 1 1 37 37 ASP HB2 H 1 2.595 . . 2 . . . . 37 ASP HB2 . 6519 1 322 . 1 1 37 37 ASP CA C 13 58.842 . . 1 . . . . 37 ASP CA . 6519 1 323 . 1 1 37 37 ASP CB C 13 40.790 . . 1 . . . . 37 ASP CB . 6519 1 324 . 1 1 37 37 ASP N N 15 125.846 . . 1 . . . . 37 ASP N . 6519 1 325 . 1 1 38 38 ALA H H 1 8.558 . . 1 . . . . 38 ALA H . 6519 1 326 . 1 1 38 38 ALA HA H 1 3.866 . . 1 . . . . 38 ALA HA . 6519 1 327 . 1 1 38 38 ALA HB1 H 1 0.837 . . 1 . . . . 38 ALA HB1 . 6519 1 328 . 1 1 38 38 ALA HB2 H 1 0.837 . . 1 . . . . 38 ALA HB1 . 6519 1 329 . 1 1 38 38 ALA HB3 H 1 0.837 . . 1 . . . . 38 ALA HB1 . 6519 1 330 . 1 1 38 38 ALA CA C 13 54.853 . . 1 . . . . 38 ALA CA . 6519 1 331 . 1 1 38 38 ALA CB C 13 19.010 . . 1 . . . . 38 ALA CB . 6519 1 332 . 1 1 38 38 ALA N N 15 119.361 . . 1 . . . . 38 ALA N . 6519 1 333 . 1 1 39 39 TYR H H 1 7.065 . . 1 . . . . 39 TYR H . 6519 1 334 . 1 1 39 39 TYR HA H 1 4.781 . . 1 . . . . 39 TYR HA . 6519 1 335 . 1 1 39 39 TYR HB2 H 1 3.086 . . 2 . . . . 39 TYR HB2 . 6519 1 336 . 1 1 39 39 TYR HB3 H 1 2.987 . . 2 . . . . 39 TYR HB3 . 6519 1 337 . 1 1 39 39 TYR HD1 H 1 7.188 . . 2 . . . . 39 TYR HD1 . 6519 1 338 . 1 1 39 39 TYR HE1 H 1 6.859 . . 2 . . . . 39 TYR HE1 . 6519 1 339 . 1 1 39 39 TYR HH H 1 7.797 . . 1 . . . . 39 TYR HH . 6519 1 340 . 1 1 39 39 TYR CA C 13 57.613 . . 1 . . . . 39 TYR CA . 6519 1 341 . 1 1 39 39 TYR CB C 13 39.378 . . 1 . . . . 39 TYR CB . 6519 1 342 . 1 1 39 39 TYR N N 15 112.849 . . 1 . . . . 39 TYR N . 6519 1 343 . 1 1 40 40 LYS H H 1 7.769 . . 1 . . . . 40 LYS H . 6519 1 344 . 1 1 40 40 LYS HA H 1 4.127 . . 1 . . . . 40 LYS HA . 6519 1 345 . 1 1 40 40 LYS HB2 H 1 1.824 . . 2 . . . . 40 LYS HB2 . 6519 1 346 . 1 1 40 40 LYS HG2 H 1 1.346 . . 2 . . . . 40 LYS HG2 . 6519 1 347 . 1 1 40 40 LYS HD2 H 1 1.528 . . 2 . . . . 40 LYS HD2 . 6519 1 348 . 1 1 40 40 LYS HE2 H 1 3.030 . . 2 . . . . 40 LYS HE2 . 6519 1 349 . 1 1 40 40 LYS CA C 13 59.956 . . 1 . . . . 40 LYS CA . 6519 1 350 . 1 1 40 40 LYS CB C 13 33.143 . . 1 . . . . 40 LYS CB . 6519 1 351 . 1 1 40 40 LYS CG C 13 24.545 . . 1 . . . . 40 LYS CG . 6519 1 352 . 1 1 40 40 LYS CD C 13 30.349 . . 1 . . . . 40 LYS CD . 6519 1 353 . 1 1 40 40 LYS CE C 13 42.602 . . 1 . . . . 40 LYS CE . 6519 1 354 . 1 1 40 40 LYS N N 15 120.917 . . 1 . . . . 40 LYS N . 6519 1 355 . 1 1 41 41 ALA H H 1 8.521 . . 1 . . . . 41 ALA H . 6519 1 356 . 1 1 41 41 ALA HA H 1 4.541 . . 1 . . . . 41 ALA HA . 6519 1 357 . 1 1 41 41 ALA HB1 H 1 1.368 . . 1 . . . . 41 ALA HB1 . 6519 1 358 . 1 1 41 41 ALA HB2 H 1 1.368 . . 1 . . . . 41 ALA HB1 . 6519 1 359 . 1 1 41 41 ALA HB3 H 1 1.368 . . 1 . . . . 41 ALA HB1 . 6519 1 360 . 1 1 41 41 ALA CA C 13 51.980 . . 1 . . . . 41 ALA CA . 6519 1 361 . 1 1 41 41 ALA CB C 13 19.589 . . 1 . . . . 41 ALA CB . 6519 1 362 . 1 1 41 41 ALA N N 15 121.701 . . 1 . . . . 41 ALA N . 6519 1 363 . 1 1 42 42 LEU H H 1 7.328 . . 1 . . . . 42 LEU H . 6519 1 364 . 1 1 42 42 LEU HA H 1 4.452 . . 1 . . . . 42 LEU HA . 6519 1 365 . 1 1 42 42 LEU HB2 H 1 1.636 . . 2 . . . . 42 LEU HB2 . 6519 1 366 . 1 1 42 42 LEU HB3 H 1 1.953 . . 2 . . . . 42 LEU HB3 . 6519 1 367 . 1 1 42 42 LEU HG H 1 1.827 . . 1 . . . . 42 LEU HG . 6519 1 368 . 1 1 42 42 LEU HD11 H 1 1.071 . . 4 . . . . 42 LEU HD11 . 6519 1 369 . 1 1 42 42 LEU HD12 H 1 1.071 . . 4 . . . . 42 LEU HD11 . 6519 1 370 . 1 1 42 42 LEU HD13 H 1 1.071 . . 4 . . . . 42 LEU HD11 . 6519 1 371 . 1 1 42 42 LEU HD21 H 1 0.929 . . 4 . . . . 42 LEU HD21 . 6519 1 372 . 1 1 42 42 LEU HD22 H 1 0.929 . . 4 . . . . 42 LEU HD21 . 6519 1 373 . 1 1 42 42 LEU HD23 H 1 0.929 . . 4 . . . . 42 LEU HD21 . 6519 1 374 . 1 1 42 42 LEU CA C 13 54.785 . . 1 . . . . 42 LEU CA . 6519 1 375 . 1 1 42 42 LEU CB C 13 44.028 . . 1 . . . . 42 LEU CB . 6519 1 376 . 1 1 42 42 LEU CG C 13 26.958 . . 1 . . . . 42 LEU CG . 6519 1 377 . 1 1 42 42 LEU CD1 C 13 23.269 . . 1 . . . . 42 LEU CD1 . 6519 1 378 . 1 1 42 42 LEU CD2 C 13 19.689 . . 1 . . . . 42 LEU CD2 . 6519 1 379 . 1 1 42 42 LEU N N 15 120.982 . . 1 . . . . 42 LEU N . 6519 1 380 . 1 1 43 43 SER H H 1 8.312 . . 1 . . . . 43 SER H . 6519 1 381 . 1 1 43 43 SER HA H 1 4.444 . . 1 . . . . 43 SER HA . 6519 1 382 . 1 1 43 43 SER HB2 H 1 4.034 . . 2 . . . . 43 SER HB2 . 6519 1 383 . 1 1 43 43 SER HG H 1 4.801 . . 1 . . . . 43 SER HG . 6519 1 384 . 1 1 43 43 SER CA C 13 58.223 . . 1 . . . . 43 SER CA . 6519 1 385 . 1 1 43 43 SER CB C 13 64.731 . . 1 . . . . 43 SER CB . 6519 1 386 . 1 1 43 43 SER N N 15 117.983 . . 1 . . . . 43 SER N . 6519 1 387 . 1 1 44 44 LYS H H 1 8.924 . . 1 . . . . 44 LYS H . 6519 1 388 . 1 1 44 44 LYS HA H 1 4.770 . . 1 . . . . 44 LYS HA . 6519 1 389 . 1 1 44 44 LYS HB2 H 1 1.921 . . 2 . . . . 44 LYS HB2 . 6519 1 390 . 1 1 44 44 LYS HG2 H 1 1.108 . . 2 . . . . 44 LYS HG2 . 6519 1 391 . 1 1 44 44 LYS HD2 H 1 1.544 . . 2 . . . . 44 LYS HD2 . 6519 1 392 . 1 1 44 44 LYS HE2 H 1 4.058 . . 2 . . . . 44 LYS HE2 . 6519 1 393 . 1 1 44 44 LYS HE3 H 1 4.007 . . 2 . . . . 44 LYS HE3 . 6519 1 394 . 1 1 44 44 LYS HZ1 H 1 4.347 . . 1 . . . . 44 LYS HZ1 . 6519 1 395 . 1 1 44 44 LYS HZ2 H 1 4.347 . . 1 . . . . 44 LYS HZ1 . 6519 1 396 . 1 1 44 44 LYS HZ3 H 1 4.347 . . 1 . . . . 44 LYS HZ1 . 6519 1 397 . 1 1 44 44 LYS CA C 13 60.447 . . 1 . . . . 44 LYS CA . 6519 1 398 . 1 1 44 44 LYS CB C 13 32.530 . . 1 . . . . 44 LYS CB . 6519 1 399 . 1 1 44 44 LYS CG C 13 25.493 . . 1 . . . . 44 LYS CG . 6519 1 400 . 1 1 44 44 LYS CD C 13 30.158 . . 1 . . . . 44 LYS CD . 6519 1 401 . 1 1 44 44 LYS CE C 13 42.602 . . 1 . . . . 44 LYS CE . 6519 1 402 . 1 1 44 44 LYS N N 15 123.672 . . 1 . . . . 44 LYS N . 6519 1 403 . 1 1 45 45 ASP H H 1 8.628 . . 1 . . . . 45 ASP H . 6519 1 404 . 1 1 45 45 ASP HA H 1 4.383 . . 1 . . . . 45 ASP HA . 6519 1 405 . 1 1 45 45 ASP HB2 H 1 2.544 . . 2 . . . . 45 ASP HB2 . 6519 1 406 . 1 1 45 45 ASP HB3 H 1 2.723 . . 2 . . . . 45 ASP HB3 . 6519 1 407 . 1 1 45 45 ASP CA C 13 57.686 . . 1 . . . . 45 ASP CA . 6519 1 408 . 1 1 45 45 ASP CB C 13 40.475 . . 1 . . . . 45 ASP CB . 6519 1 409 . 1 1 45 45 ASP N N 15 118.880 . . 1 . . . . 45 ASP N . 6519 1 410 . 1 1 46 46 LYS H H 1 7.726 . . 1 . . . . 46 LYS H . 6519 1 411 . 1 1 46 46 LYS HA H 1 4.235 . . 1 . . . . 46 LYS HA . 6519 1 412 . 1 1 46 46 LYS HB2 H 1 1.968 . . 2 . . . . 46 LYS HB2 . 6519 1 413 . 1 1 46 46 LYS HG2 H 1 1.488 . . 2 . . . . 46 LYS HG2 . 6519 1 414 . 1 1 46 46 LYS HD2 H 1 1.649 . . 2 . . . . 46 LYS HD2 . 6519 1 415 . 1 1 46 46 LYS HE2 H 1 2.200 . . 2 . . . . 46 LYS HE2 . 6519 1 416 . 1 1 46 46 LYS CA C 13 58.989 . . 1 . . . . 46 LYS CA . 6519 1 417 . 1 1 46 46 LYS CB C 13 33.025 . . 1 . . . . 46 LYS CB . 6519 1 418 . 1 1 46 46 LYS CG C 13 26.169 . . 1 . . . . 46 LYS CG . 6519 1 419 . 1 1 46 46 LYS CD C 13 29.095 . . 1 . . . . 46 LYS CD . 6519 1 420 . 1 1 46 46 LYS CE C 13 42.826 . . 1 . . . . 46 LYS CE . 6519 1 421 . 1 1 46 46 LYS N N 15 122.571 . . 1 . . . . 46 LYS N . 6519 1 422 . 1 1 47 47 VAL H H 1 8.276 . . 1 . . . . 47 VAL H . 6519 1 423 . 1 1 47 47 VAL HA H 1 3.581 . . 1 . . . . 47 VAL HA . 6519 1 424 . 1 1 47 47 VAL HB H 1 2.199 . . 1 . . . . 47 VAL HB . 6519 1 425 . 1 1 47 47 VAL HG11 H 1 0.908 . . 4 . . . . 47 VAL HG11 . 6519 1 426 . 1 1 47 47 VAL HG12 H 1 0.908 . . 4 . . . . 47 VAL HG11 . 6519 1 427 . 1 1 47 47 VAL HG13 H 1 0.908 . . 4 . . . . 47 VAL HG11 . 6519 1 428 . 1 1 47 47 VAL HG21 H 1 1.105 . . 4 . . . . 47 VAL HG21 . 6519 1 429 . 1 1 47 47 VAL HG22 H 1 1.105 . . 4 . . . . 47 VAL HG21 . 6519 1 430 . 1 1 47 47 VAL HG23 H 1 1.105 . . 4 . . . . 47 VAL HG21 . 6519 1 431 . 1 1 47 47 VAL CA C 13 67.576 . . 1 . . . . 47 VAL CA . 6519 1 432 . 1 1 47 47 VAL CB C 13 31.675 . . 1 . . . . 47 VAL CB . 6519 1 433 . 1 1 47 47 VAL CG1 C 13 24.937 . . 1 . . . . 47 VAL CG1 . 6519 1 434 . 1 1 47 47 VAL CG2 C 13 22.484 . . 1 . . . . 47 VAL CG2 . 6519 1 435 . 1 1 47 47 VAL N N 15 124.755 . . 1 . . . . 47 VAL N . 6519 1 436 . 1 1 48 48 LYS H H 1 8.224 . . 1 . . . . 48 LYS H . 6519 1 437 . 1 1 48 48 LYS HA H 1 3.858 . . 1 . . . . 48 LYS HA . 6519 1 438 . 1 1 48 48 LYS HB2 H 1 1.532 . . 2 . . . . 48 LYS HB2 . 6519 1 439 . 1 1 48 48 LYS HG2 H 1 1.295 . . 2 . . . . 48 LYS HG2 . 6519 1 440 . 1 1 48 48 LYS HD2 H 1 1.955 . . 2 . . . . 48 LYS HD2 . 6519 1 441 . 1 1 48 48 LYS HE2 H 1 2.192 . . 2 . . . . 48 LYS HE2 . 6519 1 442 . 1 1 48 48 LYS CA C 13 60.954 . . 1 . . . . 48 LYS CA . 6519 1 443 . 1 1 48 48 LYS CB C 13 33.055 . . 1 . . . . 48 LYS CB . 6519 1 444 . 1 1 48 48 LYS N N 15 123.030 . . 1 . . . . 48 LYS N . 6519 1 445 . 1 1 49 49 GLU H H 1 7.971 . . 1 . . . . 49 GLU H . 6519 1 446 . 1 1 49 49 GLU HA H 1 4.059 . . 1 . . . . 49 GLU HA . 6519 1 447 . 1 1 49 49 GLU HB2 H 1 2.166 . . 2 . . . . 49 GLU HB2 . 6519 1 448 . 1 1 49 49 GLU HG2 H 1 1.056 . . 2 . . . . 49 GLU HG2 . 6519 1 449 . 1 1 49 49 GLU CA C 13 59.605 . . 1 . . . . 49 GLU CA . 6519 1 450 . 1 1 49 49 GLU CB C 13 30.926 . . 1 . . . . 49 GLU CB . 6519 1 451 . 1 1 49 49 GLU CG C 13 36.827 . . 1 . . . . 49 GLU CG . 6519 1 452 . 1 1 49 49 GLU N N 15 121.714 . . 1 . . . . 49 GLU N . 6519 1 453 . 1 1 50 50 ALA H H 1 8.136 . . 1 . . . . 50 ALA H . 6519 1 454 . 1 1 50 50 ALA HA H 1 4.244 . . 1 . . . . 50 ALA HA . 6519 1 455 . 1 1 50 50 ALA HB1 H 1 1.518 . . 1 . . . . 50 ALA HB1 . 6519 1 456 . 1 1 50 50 ALA HB2 H 1 1.518 . . 1 . . . . 50 ALA HB1 . 6519 1 457 . 1 1 50 50 ALA HB3 H 1 1.518 . . 1 . . . . 50 ALA HB1 . 6519 1 458 . 1 1 50 50 ALA CA C 13 55.773 . . 1 . . . . 50 ALA CA . 6519 1 459 . 1 1 50 50 ALA CB C 13 18.809 . . 1 . . . . 50 ALA CB . 6519 1 460 . 1 1 50 50 ALA N N 15 123.863 . . 1 . . . . 50 ALA N . 6519 1 461 . 1 1 51 51 SER H H 1 8.650 . . 1 . . . . 51 SER H . 6519 1 462 . 1 1 51 51 SER HA H 1 5.042 . . 1 . . . . 51 SER HA . 6519 1 463 . 1 1 51 51 SER HB2 H 1 3.964 . . 2 . . . . 51 SER HB2 . 6519 1 464 . 1 1 51 51 SER CA C 13 62.092 . . 1 . . . . 51 SER CA . 6519 1 465 . 1 1 51 51 SER CB C 13 63.768 . . 1 . . . . 51 SER CB . 6519 1 466 . 1 1 51 51 SER N N 15 116.038 . . 1 . . . . 51 SER N . 6519 1 467 . 1 1 52 52 ALA H H 1 7.853 . . 1 . . . . 52 ALA H . 6519 1 468 . 1 1 52 52 ALA HA H 1 4.113 . . 1 . . . . 52 ALA HA . 6519 1 469 . 1 1 52 52 ALA HB1 H 1 1.552 . . 1 . . . . 52 ALA HB1 . 6519 1 470 . 1 1 52 52 ALA HB2 H 1 1.552 . . 1 . . . . 52 ALA HB1 . 6519 1 471 . 1 1 52 52 ALA HB3 H 1 1.552 . . 1 . . . . 52 ALA HB1 . 6519 1 472 . 1 1 52 52 ALA CA C 13 55.624 . . 1 . . . . 52 ALA CA . 6519 1 473 . 1 1 52 52 ALA CB C 13 18.815 . . 1 . . . . 52 ALA CB . 6519 1 474 . 1 1 52 52 ALA N N 15 126.102 . . 1 . . . . 52 ALA N . 6519 1 475 . 1 1 53 53 LYS H H 1 7.712 . . 1 . . . . 53 LYS H . 6519 1 476 . 1 1 53 53 LYS HA H 1 4.006 . . 1 . . . . 53 LYS HA . 6519 1 477 . 1 1 53 53 LYS HB2 H 1 1.701 . . 2 . . . . 53 LYS HB2 . 6519 1 478 . 1 1 53 53 LYS HG2 H 1 1.528 . . 2 . . . . 53 LYS HG2 . 6519 1 479 . 1 1 53 53 LYS HD2 H 1 1.367 . . 2 . . . . 53 LYS HD2 . 6519 1 480 . 1 1 53 53 LYS HE2 H 1 1.995 . . 2 . . . . 53 LYS HE2 . 6519 1 481 . 1 1 53 53 LYS CA C 13 60.200 . . 1 . . . . 53 LYS CA . 6519 1 482 . 1 1 53 53 LYS CB C 13 33.207 . . 1 . . . . 53 LYS CB . 6519 1 483 . 1 1 53 53 LYS CG C 13 26.189 . . 1 . . . . 53 LYS CG . 6519 1 484 . 1 1 53 53 LYS CD C 13 30.145 . . 1 . . . . 53 LYS CD . 6519 1 485 . 1 1 53 53 LYS CE C 13 42.824 . . 1 . . . . 53 LYS CE . 6519 1 486 . 1 1 53 53 LYS N N 15 120.378 . . 1 . . . . 53 LYS N . 6519 1 487 . 1 1 54 54 LEU H H 1 7.646 . . 1 . . . . 54 LEU H . 6519 1 488 . 1 1 54 54 LEU HA H 1 4.125 . . 1 . . . . 54 LEU HA . 6519 1 489 . 1 1 54 54 LEU HB2 H 1 1.306 . . 2 . . . . 54 LEU HB2 . 6519 1 490 . 1 1 54 54 LEU HB3 H 1 1.985 . . 2 . . . . 54 LEU HB3 . 6519 1 491 . 1 1 54 54 LEU HG H 1 1.308 . . 1 . . . . 54 LEU HG . 6519 1 492 . 1 1 54 54 LEU HD11 H 1 0.872 . . 4 . . . . 54 LEU HD11 . 6519 1 493 . 1 1 54 54 LEU HD12 H 1 0.872 . . 4 . . . . 54 LEU HD11 . 6519 1 494 . 1 1 54 54 LEU HD13 H 1 0.872 . . 4 . . . . 54 LEU HD11 . 6519 1 495 . 1 1 54 54 LEU HD21 H 1 0.911 . . 4 . . . . 54 LEU HD21 . 6519 1 496 . 1 1 54 54 LEU HD22 H 1 0.911 . . 4 . . . . 54 LEU HD21 . 6519 1 497 . 1 1 54 54 LEU HD23 H 1 0.911 . . 4 . . . . 54 LEU HD21 . 6519 1 498 . 1 1 54 54 LEU CA C 13 58.807 . . 1 . . . . 54 LEU CA . 6519 1 499 . 1 1 54 54 LEU CB C 13 41.854 . . 1 . . . . 54 LEU CB . 6519 1 500 . 1 1 54 54 LEU CG C 13 37.524 . . 1 . . . . 54 LEU CG . 6519 1 501 . 1 1 54 54 LEU CD1 C 13 26.034 . . 1 . . . . 54 LEU CD1 . 6519 1 502 . 1 1 54 54 LEU CD2 C 13 23.780 . . 1 . . . . 54 LEU CD2 . 6519 1 503 . 1 1 54 54 LEU N N 15 121.625 . . 1 . . . . 54 LEU N . 6519 1 504 . 1 1 55 55 ILE H H 1 8.078 . . 1 . . . . 55 ILE H . 6519 1 505 . 1 1 55 55 ILE HA H 1 3.517 . . 1 . . . . 55 ILE HA . 6519 1 506 . 1 1 55 55 ILE HB H 1 1.944 . . 1 . . . . 55 ILE HB . 6519 1 507 . 1 1 55 55 ILE HG12 H 1 1.162 . . 9 . . . . 55 ILE HG12 . 6519 1 508 . 1 1 55 55 ILE HG21 H 1 0.773 . . 4 . . . . 55 ILE HG21 . 6519 1 509 . 1 1 55 55 ILE HG22 H 1 0.773 . . 4 . . . . 55 ILE HG21 . 6519 1 510 . 1 1 55 55 ILE HG23 H 1 0.773 . . 4 . . . . 55 ILE HG21 . 6519 1 511 . 1 1 55 55 ILE CA C 13 65.699 . . 1 . . . . 55 ILE CA . 6519 1 512 . 1 1 55 55 ILE CB C 13 37.771 . . 1 . . . . 55 ILE CB . 6519 1 513 . 1 1 55 55 ILE CG1 C 13 29.516 . . 2 . . . . 55 ILE CG1 . 6519 1 514 . 1 1 55 55 ILE CG2 C 13 11.817 . . 1 . . . . 55 ILE CG2 . 6519 1 515 . 1 1 55 55 ILE CD1 C 13 17.378 . . 1 . . . . 55 ILE CD1 . 6519 1 516 . 1 1 55 55 ILE N N 15 119.099 . . 1 . . . . 55 ILE N . 6519 1 517 . 1 1 56 56 LYS H H 1 7.913 . . 1 . . . . 56 LYS H . 6519 1 518 . 1 1 56 56 LYS HA H 1 4.061 . . 1 . . . . 56 LYS HA . 6519 1 519 . 1 1 56 56 LYS HB2 H 1 1.946 . . 2 . . . . 56 LYS HB2 . 6519 1 520 . 1 1 56 56 LYS HG2 H 1 1.304 . . 2 . . . . 56 LYS HG2 . 6519 1 521 . 1 1 56 56 LYS HD2 H 1 1.520 . . 2 . . . . 56 LYS HD2 . 6519 1 522 . 1 1 56 56 LYS HE2 H 1 2.269 . . 2 . . . . 56 LYS HE2 . 6519 1 523 . 1 1 56 56 LYS CA C 13 59.737 . . 1 . . . . 56 LYS CA . 6519 1 524 . 1 1 56 56 LYS CB C 13 33.038 . . 1 . . . . 56 LYS CB . 6519 1 525 . 1 1 56 56 LYS CG C 13 25.856 . . 1 . . . . 56 LYS CG . 6519 1 526 . 1 1 56 56 LYS CE C 13 42.933 . . 1 . . . . 56 LYS CE . 6519 1 527 . 1 1 56 56 LYS N N 15 119.019 . . 1 . . . . 56 LYS N . 6519 1 528 . 1 1 57 57 MET H H 1 7.574 . . 1 . . . . 57 MET H . 6519 1 529 . 1 1 57 57 MET HA H 1 4.141 . . 1 . . . . 57 MET HA . 6519 1 530 . 1 1 57 57 MET HB2 H 1 2.163 . . 2 . . . . 57 MET HB2 . 6519 1 531 . 1 1 57 57 MET HB3 H 1 2.328 . . 2 . . . . 57 MET HB3 . 6519 1 532 . 1 1 57 57 MET HG2 H 1 2.604 . . 2 . . . . 57 MET HG2 . 6519 1 533 . 1 1 57 57 MET HG3 H 1 2.821 . . 2 . . . . 57 MET HG3 . 6519 1 534 . 1 1 57 57 MET HE1 H 1 1.716 . . 1 . . . . 57 MET HE1 . 6519 1 535 . 1 1 57 57 MET HE2 H 1 1.716 . . 1 . . . . 57 MET HE1 . 6519 1 536 . 1 1 57 57 MET HE3 H 1 1.716 . . 1 . . . . 57 MET HE1 . 6519 1 537 . 1 1 57 57 MET CA C 13 58.751 . . 1 . . . . 57 MET CA . 6519 1 538 . 1 1 57 57 MET CB C 13 34.041 . . 1 . . . . 57 MET CB . 6519 1 539 . 1 1 57 57 MET CG C 13 25.290 . . 1 . . . . 57 MET CG . 6519 1 540 . 1 1 57 57 MET CE C 13 42.565 . . 1 . . . . 57 MET CE . 6519 1 541 . 1 1 57 57 MET N N 15 116.865 . . 1 . . . . 57 MET N . 6519 1 542 . 1 1 58 58 ALA H H 1 7.396 . . 1 . . . . 58 ALA H . 6519 1 543 . 1 1 58 58 ALA HA H 1 4.584 . . 1 . . . . 58 ALA HA . 6519 1 544 . 1 1 58 58 ALA HB1 H 1 1.297 . . 1 . . . . 58 ALA HB1 . 6519 1 545 . 1 1 58 58 ALA HB2 H 1 1.297 . . 1 . . . . 58 ALA HB1 . 6519 1 546 . 1 1 58 58 ALA HB3 H 1 1.297 . . 1 . . . . 58 ALA HB1 . 6519 1 547 . 1 1 58 58 ALA CA C 13 52.408 . . 1 . . . . 58 ALA CA . 6519 1 548 . 1 1 58 58 ALA CB C 13 22.223 . . 1 . . . . 58 ALA CB . 6519 1 549 . 1 1 58 58 ALA N N 15 119.386 . . 1 . . . . 58 ALA N . 6519 1 550 . 1 1 59 59 ASP H H 1 8.496 . . 1 . . . . 59 ASP H . 6519 1 551 . 1 1 59 59 ASP HA H 1 4.540 . . 1 . . . . 59 ASP HA . 6519 1 552 . 1 1 59 59 ASP HB2 H 1 2.545 . . 2 . . . . 59 ASP HB2 . 6519 1 553 . 1 1 59 59 ASP HB3 H 1 2.884 . . 2 . . . . 59 ASP HB3 . 6519 1 554 . 1 1 59 59 ASP CA C 13 55.218 . . 1 . . . . 59 ASP CA . 6519 1 555 . 1 1 59 59 ASP CB C 13 41.171 . . 1 . . . . 59 ASP CB . 6519 1 556 . 1 1 59 59 ASP N N 15 119.819 . . 1 . . . . 59 ASP N . 6519 1 557 . 1 1 60 60 LYS H H 1 8.242 . . 1 . . . . 60 LYS H . 6519 1 558 . 1 1 60 60 LYS HA H 1 4.395 . . 1 . . . . 60 LYS HA . 6519 1 559 . 1 1 60 60 LYS HB2 H 1 1.706 . . 2 . . . . 60 LYS HB2 . 6519 1 560 . 1 1 60 60 LYS HG2 H 1 1.271 . . 2 . . . . 60 LYS HG2 . 6519 1 561 . 1 1 60 60 LYS HD2 H 1 1.464 . . 2 . . . . 60 LYS HD2 . 6519 1 562 . 1 1 60 60 LYS HE2 H 1 2.025 . . 2 . . . . 60 LYS HE2 . 6519 1 563 . 1 1 60 60 LYS HE3 H 1 1.900 . . 2 . . . . 60 LYS HE3 . 6519 1 564 . 1 1 60 60 LYS CA C 13 57.393 . . 1 . . . . 60 LYS CA . 6519 1 565 . 1 1 60 60 LYS CB C 13 33.861 . . 1 . . . . 60 LYS CB . 6519 1 566 . 1 1 60 60 LYS CG C 13 35.119 . . 1 . . . . 60 LYS CG . 6519 1 567 . 1 1 60 60 LYS CD C 13 29.325 . . 1 . . . . 60 LYS CD . 6519 1 568 . 1 1 60 60 LYS CE C 13 42.896 . . 1 . . . . 60 LYS CE . 6519 1 569 . 1 1 60 60 LYS N N 15 129.159 . . 1 . . . . 60 LYS N . 6519 1 570 . 1 1 61 61 ASN H H 1 8.099 . . 1 . . . . 61 ASN H . 6519 1 571 . 1 1 61 61 ASN HA H 1 4.963 . . 1 . . . . 61 ASN HA . 6519 1 572 . 1 1 61 61 ASN HB2 H 1 2.822 . . 2 . . . . 61 ASN HB2 . 6519 1 573 . 1 1 61 61 ASN HB3 H 1 3.305 . . 2 . . . . 61 ASN HB3 . 6519 1 574 . 1 1 61 61 ASN HD21 H 1 8.094 . . 2 . . . . 61 ASN HD21 . 6519 1 575 . 1 1 61 61 ASN HD22 H 1 6.551 . . 2 . . . . 61 ASN HD22 . 6519 1 576 . 1 1 61 61 ASN CA C 13 52.387 . . 1 . . . . 61 ASN CA . 6519 1 577 . 1 1 61 61 ASN CB C 13 37.994 . . 1 . . . . 61 ASN CB . 6519 1 578 . 1 1 61 61 ASN N N 15 116.879 . . 1 . . . . 61 ASN N . 6519 1 579 . 1 1 61 61 ASN ND2 N 15 114.952 . . 1 . . . . 61 ASN ND2 . 6519 1 580 . 1 1 62 62 SER H H 1 7.840 . . 1 . . . . 62 SER H . 6519 1 581 . 1 1 62 62 SER HA H 1 4.060 . . 1 . . . . 62 SER HA . 6519 1 582 . 1 1 62 62 SER HB2 H 1 3.835 . . 2 . . . . 62 SER HB2 . 6519 1 583 . 1 1 62 62 SER CA C 13 59.859 . . 1 . . . . 62 SER CA . 6519 1 584 . 1 1 62 62 SER CB C 13 62.097 . . 1 . . . . 62 SER CB . 6519 1 585 . 1 1 62 62 SER N N 15 113.671 . . 1 . . . . 62 SER N . 6519 1 586 . 1 1 63 63 ASP H H 1 8.290 . . 1 . . . . 63 ASP H . 6519 1 587 . 1 1 63 63 ASP HA H 1 4.745 . . 1 . . . . 63 ASP HA . 6519 1 588 . 1 1 63 63 ASP HB2 H 1 3.014 . . 2 . . . . 63 ASP HB2 . 6519 1 589 . 1 1 63 63 ASP HB3 H 1 2.415 . . 2 . . . . 63 ASP HB3 . 6519 1 590 . 1 1 63 63 ASP CA C 13 53.059 . . 1 . . . . 63 ASP CA . 6519 1 591 . 1 1 63 63 ASP CB C 13 41.205 . . 1 . . . . 63 ASP CB . 6519 1 592 . 1 1 63 63 ASP N N 15 119.528 . . 1 . . . . 63 ASP N . 6519 1 593 . 1 1 64 64 GLY H H 1 10.176 . . 1 . . . . 64 GLY H . 6519 1 594 . 1 1 64 64 GLY HA2 H 1 3.459 . . 2 . . . . 64 GLY HA2 . 6519 1 595 . 1 1 64 64 GLY HA3 H 1 4.073 . . 2 . . . . 64 GLY HA3 . 6519 1 596 . 1 1 64 64 GLY CA C 13 46.561 . . 1 . . . . 64 GLY CA . 6519 1 597 . 1 1 64 64 GLY N N 15 113.468 . . 1 . . . . 64 GLY N . 6519 1 598 . 1 1 65 65 LYS H H 1 8.049 . . 1 . . . . 65 LYS H . 6519 1 599 . 1 1 65 65 LYS HA H 1 4.946 . . 1 . . . . 65 LYS HA . 6519 1 600 . 1 1 65 65 LYS HB2 H 1 1.616 . . 2 . . . . 65 LYS HB2 . 6519 1 601 . 1 1 65 65 LYS HB3 H 1 1.637 . . 2 . . . . 65 LYS HB3 . 6519 1 602 . 1 1 65 65 LYS HG2 H 1 1.078 . . 2 . . . . 65 LYS HG2 . 6519 1 603 . 1 1 65 65 LYS HG3 H 1 1.097 . . 2 . . . . 65 LYS HG3 . 6519 1 604 . 1 1 65 65 LYS HD2 H 1 0.924 . . 2 . . . . 65 LYS HD2 . 6519 1 605 . 1 1 65 65 LYS HD3 H 1 1.269 . . 2 . . . . 65 LYS HD3 . 6519 1 606 . 1 1 65 65 LYS HE2 H 1 1.943 . . 2 . . . . 65 LYS HE2 . 6519 1 607 . 1 1 65 65 LYS HE3 H 1 2.307 . . 2 . . . . 65 LYS HE3 . 6519 1 608 . 1 1 65 65 LYS CA C 13 54.586 . . 1 . . . . 65 LYS CA . 6519 1 609 . 1 1 65 65 LYS CB C 13 37.086 . . 1 . . . . 65 LYS CB . 6519 1 610 . 1 1 65 65 LYS CG C 13 23.980 . . 1 . . . . 65 LYS CG . 6519 1 611 . 1 1 65 65 LYS CD C 13 29.655 . . 1 . . . . 65 LYS CD . 6519 1 612 . 1 1 65 65 LYS CE C 13 41.892 . . 1 . . . . 65 LYS CE . 6519 1 613 . 1 1 65 65 LYS N N 15 117.770 . . 1 . . . . 65 LYS N . 6519 1 614 . 1 1 66 66 ILE H H 1 9.417 . . 1 . . . . 66 ILE H . 6519 1 615 . 1 1 66 66 ILE HA H 1 5.185 . . 1 . . . . 66 ILE HA . 6519 1 616 . 1 1 66 66 ILE HB H 1 2.125 . . 1 . . . . 66 ILE HB . 6519 1 617 . 1 1 66 66 ILE HG12 H 1 0.901 . . 9 . . . . 66 ILE HG12 . 6519 1 618 . 1 1 66 66 ILE HG13 H 1 1.719 . . 9 . . . . 66 ILE HG13 . 6519 1 619 . 1 1 66 66 ILE HG21 H 1 1.282 . . 4 . . . . 66 ILE HG21 . 6519 1 620 . 1 1 66 66 ILE HG22 H 1 1.282 . . 4 . . . . 66 ILE HG21 . 6519 1 621 . 1 1 66 66 ILE HG23 H 1 1.282 . . 4 . . . . 66 ILE HG21 . 6519 1 622 . 1 1 66 66 ILE HD11 H 1 0.862 . . 1 . . . . 66 ILE HD11 . 6519 1 623 . 1 1 66 66 ILE HD12 H 1 0.862 . . 1 . . . . 66 ILE HD11 . 6519 1 624 . 1 1 66 66 ILE HD13 H 1 0.862 . . 1 . . . . 66 ILE HD11 . 6519 1 625 . 1 1 66 66 ILE CA C 13 60.609 . . 1 . . . . 66 ILE CA . 6519 1 626 . 1 1 66 66 ILE CB C 13 40.576 . . 1 . . . . 66 ILE CB . 6519 1 627 . 1 1 66 66 ILE CG1 C 13 27.152 . . 2 . . . . 66 ILE CG1 . 6519 1 628 . 1 1 66 66 ILE CG2 C 13 19.575 . . 2 . . . . 66 ILE CG2 . 6519 1 629 . 1 1 66 66 ILE CD1 C 13 13.461 . . 1 . . . . 66 ILE CD1 . 6519 1 630 . 1 1 66 66 ILE N N 15 125.740 . . 1 . . . . 66 ILE N . 6519 1 631 . 1 1 67 67 SER H H 1 9.875 . . 1 . . . . 67 SER H . 6519 1 632 . 1 1 67 67 SER HA H 1 4.913 . . 1 . . . . 67 SER HA . 6519 1 633 . 1 1 67 67 SER HB2 H 1 4.230 . . 2 . . . . 67 SER HB2 . 6519 1 634 . 1 1 67 67 SER CA C 13 57.739 . . 1 . . . . 67 SER CA . 6519 1 635 . 1 1 67 67 SER CB C 13 66.182 . . 1 . . . . 67 SER CB . 6519 1 636 . 1 1 67 67 SER N N 15 127.558 . . 1 . . . . 67 SER N . 6519 1 637 . 1 1 68 68 LYS H H 1 7.594 . . 1 . . . . 68 LYS H . 6519 1 638 . 1 1 68 68 LYS HA H 1 4.218 . . 1 . . . . 68 LYS HA . 6519 1 639 . 1 1 68 68 LYS HB2 H 1 1.418 . . 2 . . . . 68 LYS HB2 . 6519 1 640 . 1 1 68 68 LYS HB3 H 1 1.402 . . 2 . . . . 68 LYS HB3 . 6519 1 641 . 1 1 68 68 LYS HG2 H 1 0.243 . . 2 . . . . 68 LYS HG2 . 6519 1 642 . 1 1 68 68 LYS HD2 H 1 0.931 . . 2 . . . . 68 LYS HD2 . 6519 1 643 . 1 1 68 68 LYS HD3 H 1 0.889 . . 2 . . . . 68 LYS HD3 . 6519 1 644 . 1 1 68 68 LYS HE2 H 1 2.551 . . 2 . . . . 68 LYS HE2 . 6519 1 645 . 1 1 68 68 LYS CA C 13 61.420 . . 1 . . . . 68 LYS CA . 6519 1 646 . 1 1 68 68 LYS CB C 13 32.381 . . 1 . . . . 68 LYS CB . 6519 1 647 . 1 1 68 68 LYS CG C 13 25.114 . . 1 . . . . 68 LYS CG . 6519 1 648 . 1 1 68 68 LYS CD C 13 29.996 . . 1 . . . . 68 LYS CD . 6519 1 649 . 1 1 68 68 LYS CE C 13 42.363 . . 1 . . . . 68 LYS CE . 6519 1 650 . 1 1 68 68 LYS N N 15 123.154 . . 1 . . . . 68 LYS N . 6519 1 651 . 1 1 69 69 GLU H H 1 8.402 . . 1 . . . . 69 GLU H . 6519 1 652 . 1 1 69 69 GLU HA H 1 3.812 . . 1 . . . . 69 GLU HA . 6519 1 653 . 1 1 69 69 GLU HB2 H 1 1.866 . . 2 . . . . 69 GLU HB2 . 6519 1 654 . 1 1 69 69 GLU HG2 H 1 2.208 . . 2 . . . . 69 GLU HG2 . 6519 1 655 . 1 1 69 69 GLU CA C 13 60.285 . . 1 . . . . 69 GLU CA . 6519 1 656 . 1 1 69 69 GLU CB C 13 29.795 . . 1 . . . . 69 GLU CB . 6519 1 657 . 1 1 69 69 GLU CG C 13 36.849 . . 1 . . . . 69 GLU CG . 6519 1 658 . 1 1 69 69 GLU N N 15 118.579 . . 1 . . . . 69 GLU N . 6519 1 659 . 1 1 70 70 GLU H H 1 7.723 . . 1 . . . . 70 GLU H . 6519 1 660 . 1 1 70 70 GLU HA H 1 4.005 . . 1 . . . . 70 GLU HA . 6519 1 661 . 1 1 70 70 GLU HB2 H 1 2.362 . . 2 . . . . 70 GLU HB2 . 6519 1 662 . 1 1 70 70 GLU HG2 H 1 2.622 . . 2 . . . . 70 GLU HG2 . 6519 1 663 . 1 1 70 70 GLU CA C 13 58.935 . . 1 . . . . 70 GLU CA . 6519 1 664 . 1 1 70 70 GLU CB C 13 30.583 . . 1 . . . . 70 GLU CB . 6519 1 665 . 1 1 70 70 GLU CG C 13 38.314 . . 1 . . . . 70 GLU CG . 6519 1 666 . 1 1 70 70 GLU N N 15 119.552 . . 1 . . . . 70 GLU N . 6519 1 667 . 1 1 71 71 PHE H H 1 8.677 . . 1 . . . . 71 PHE H . 6519 1 668 . 1 1 71 71 PHE HA H 1 3.788 . . 1 . . . . 71 PHE HA . 6519 1 669 . 1 1 71 71 PHE HB2 H 1 1.280 . . 2 . . . . 71 PHE HB2 . 6519 1 670 . 1 1 71 71 PHE HB3 H 1 3.128 . . 2 . . . . 71 PHE HB3 . 6519 1 671 . 1 1 71 71 PHE HD1 H 1 7.017 . . 2 . . . . 71 PHE HD1 . 6519 1 672 . 1 1 71 71 PHE HE1 H 1 7.300 . . 2 . . . . 71 PHE HE1 . 6519 1 673 . 1 1 71 71 PHE HZ H 1 6.935 . . 1 . . . . 71 PHE HZ . 6519 1 674 . 1 1 71 71 PHE CA C 13 62.654 . . 1 . . . . 71 PHE CA . 6519 1 675 . 1 1 71 71 PHE CB C 13 41.171 . . 1 . . . . 71 PHE CB . 6519 1 676 . 1 1 71 71 PHE N N 15 123.550 . . 1 . . . . 71 PHE N . 6519 1 677 . 1 1 72 72 LEU H H 1 8.450 . . 1 . . . . 72 LEU H . 6519 1 678 . 1 1 72 72 LEU HA H 1 3.964 . . 1 . . . . 72 LEU HA . 6519 1 679 . 1 1 72 72 LEU HB2 H 1 1.753 . . 2 . . . . 72 LEU HB2 . 6519 1 680 . 1 1 72 72 LEU HB3 H 1 1.885 . . 2 . . . . 72 LEU HB3 . 6519 1 681 . 1 1 72 72 LEU HG H 1 1.528 . . 1 . . . . 72 LEU HG . 6519 1 682 . 1 1 72 72 LEU HD11 H 1 0.836 . . 2 . . . . 72 LEU HD11 . 6519 1 683 . 1 1 72 72 LEU HD12 H 1 0.836 . . 2 . . . . 72 LEU HD11 . 6519 1 684 . 1 1 72 72 LEU HD13 H 1 0.836 . . 2 . . . . 72 LEU HD11 . 6519 1 685 . 1 1 72 72 LEU HD21 H 1 0.859 . . 4 . . . . 72 LEU HD21 . 6519 1 686 . 1 1 72 72 LEU HD22 H 1 0.859 . . 4 . . . . 72 LEU HD21 . 6519 1 687 . 1 1 72 72 LEU HD23 H 1 0.859 . . 4 . . . . 72 LEU HD21 . 6519 1 688 . 1 1 72 72 LEU CA C 13 57.999 . . 1 . . . . 72 LEU CA . 6519 1 689 . 1 1 72 72 LEU CB C 13 41.748 . . 1 . . . . 72 LEU CB . 6519 1 690 . 1 1 72 72 LEU N N 15 117.283 . . 1 . . . . 72 LEU N . 6519 1 691 . 1 1 73 73 ASN H H 1 7.501 . . 1 . . . . 73 ASN H . 6519 1 692 . 1 1 73 73 ASN HA H 1 4.752 . . 1 . . . . 73 ASN HA . 6519 1 693 . 1 1 73 73 ASN HB2 H 1 2.904 . . 2 . . . . 73 ASN HB2 . 6519 1 694 . 1 1 73 73 ASN HB3 H 1 2.698 . . 2 . . . . 73 ASN HB3 . 6519 1 695 . 1 1 73 73 ASN HD21 H 1 7.773 . . 2 . . . . 73 ASN HD21 . 6519 1 696 . 1 1 73 73 ASN HD22 H 1 6.975 . . 2 . . . . 73 ASN HD22 . 6519 1 697 . 1 1 73 73 ASN CA C 13 54.031 . . 1 . . . . 73 ASN CA . 6519 1 698 . 1 1 73 73 ASN CB C 13 40.019 . . 1 . . . . 73 ASN CB . 6519 1 699 . 1 1 73 73 ASN N N 15 116.646 . . 1 . . . . 73 ASN N . 6519 1 700 . 1 1 73 73 ASN ND2 N 15 114.961 . . 1 . . . . 73 ASN ND2 . 6519 1 701 . 1 1 74 74 ALA H H 1 7.366 . . 1 . . . . 74 ALA H . 6519 1 702 . 1 1 74 74 ALA HA H 1 4.379 . . 1 . . . . 74 ALA HA . 6519 1 703 . 1 1 74 74 ALA HB1 H 1 1.392 . . 1 . . . . 74 ALA HB1 . 6519 1 704 . 1 1 74 74 ALA HB2 H 1 1.392 . . 1 . . . . 74 ALA HB1 . 6519 1 705 . 1 1 74 74 ALA HB3 H 1 1.392 . . 1 . . . . 74 ALA HB1 . 6519 1 706 . 1 1 74 74 ALA CA C 13 52.748 . . 1 . . . . 74 ALA CA . 6519 1 707 . 1 1 74 74 ALA CB C 13 20.149 . . 1 . . . . 74 ALA CB . 6519 1 708 . 1 1 74 74 ALA N N 15 124.781 . . 1 . . . . 74 ALA N . 6519 1 709 . 1 1 75 75 ASN H H 1 7.900 . . 1 . . . . 75 ASN H . 6519 1 710 . 1 1 75 75 ASN HA H 1 4.367 . . 1 . . . . 75 ASN HA . 6519 1 711 . 1 1 75 75 ASN HB2 H 1 2.862 . . 2 . . . . 75 ASN HB2 . 6519 1 712 . 1 1 75 75 ASN HB3 H 1 4.766 . . 2 . . . . 75 ASN HB3 . 6519 1 713 . 1 1 75 75 ASN HD21 H 1 7.669 . . 2 . . . . 75 ASN HD21 . 6519 1 714 . 1 1 75 75 ASN HD22 H 1 6.957 . . 2 . . . . 75 ASN HD22 . 6519 1 715 . 1 1 75 75 ASN CA C 13 54.651 . . 1 . . . . 75 ASN CA . 6519 1 716 . 1 1 75 75 ASN CB C 13 40.333 . . 1 . . . . 75 ASN CB . 6519 1 717 . 1 1 75 75 ASN N N 15 117.804 . . 1 . . . . 75 ASN N . 6519 1 718 . 1 1 75 75 ASN ND2 N 15 114.416 . . 1 . . . . 75 ASN ND2 . 6519 1 719 . 1 1 76 76 ALA H H 1 8.721 . . 1 . . . . 76 ALA H . 6519 1 720 . 1 1 76 76 ALA HA H 1 4.006 . . 1 . . . . 76 ALA HA . 6519 1 721 . 1 1 76 76 ALA HB1 H 1 1.453 . . 1 . . . . 76 ALA HB1 . 6519 1 722 . 1 1 76 76 ALA HB2 H 1 1.453 . . 1 . . . . 76 ALA HB1 . 6519 1 723 . 1 1 76 76 ALA HB3 H 1 1.453 . . 1 . . . . 76 ALA HB1 . 6519 1 724 . 1 1 76 76 ALA CA C 13 55.389 . . 1 . . . . 76 ALA CA . 6519 1 725 . 1 1 76 76 ALA CB C 13 19.258 . . 1 . . . . 76 ALA CB . 6519 1 726 . 1 1 76 76 ALA N N 15 125.916 . . 1 . . . . 76 ALA N . 6519 1 727 . 1 1 77 77 GLU H H 1 8.282 . . 1 . . . . 77 GLU H . 6519 1 728 . 1 1 77 77 GLU HA H 1 4.195 . . 1 . . . . 77 GLU HA . 6519 1 729 . 1 1 77 77 GLU HB2 H 1 3.054 . . 2 . . . . 77 GLU HB2 . 6519 1 730 . 1 1 77 77 GLU HG2 H 1 2.463 . . 2 . . . . 77 GLU HG2 . 6519 1 731 . 1 1 77 77 GLU CA C 13 62.136 . . 1 . . . . 77 GLU CA . 6519 1 732 . 1 1 77 77 GLU CB C 13 27.479 . . 1 . . . . 77 GLU CB . 6519 1 733 . 1 1 77 77 GLU N N 15 119.314 . . 1 . . . . 77 GLU N . 6519 1 734 . 1 1 78 78 LEU H H 1 7.565 . . 1 . . . . 78 LEU H . 6519 1 735 . 1 1 78 78 LEU HA H 1 4.536 . . 1 . . . . 78 LEU HA . 6519 1 736 . 1 1 78 78 LEU HB2 H 1 2.128 . . 2 . . . . 78 LEU HB2 . 6519 1 737 . 1 1 78 78 LEU HG H 1 2.499 . . 1 . . . . 78 LEU HG . 6519 1 738 . 1 1 78 78 LEU HD11 H 1 0.875 . . 2 . . . . 78 LEU HD11 . 6519 1 739 . 1 1 78 78 LEU HD12 H 1 0.875 . . 2 . . . . 78 LEU HD11 . 6519 1 740 . 1 1 78 78 LEU HD13 H 1 0.875 . . 2 . . . . 78 LEU HD11 . 6519 1 741 . 1 1 78 78 LEU HD21 H 1 0.869 . . 2 . . . . 78 LEU HD21 . 6519 1 742 . 1 1 78 78 LEU HD22 H 1 0.869 . . 2 . . . . 78 LEU HD21 . 6519 1 743 . 1 1 78 78 LEU HD23 H 1 0.869 . . 2 . . . . 78 LEU HD21 . 6519 1 744 . 1 1 78 78 LEU CA C 13 57.075 . . 1 . . . . 78 LEU CA . 6519 1 745 . 1 1 78 78 LEU CB C 13 30.192 . . 1 . . . . 78 LEU CB . 6519 1 746 . 1 1 78 78 LEU N N 15 118.013 . . 1 . . . . 78 LEU N . 6519 1 747 . 1 1 79 79 LEU H H 1 7.650 . . 1 . . . . 79 LEU H . 6519 1 748 . 1 1 79 79 LEU HA H 1 4.779 . . 1 . . . . 79 LEU HA . 6519 1 749 . 1 1 79 79 LEU HB2 H 1 2.017 . . 2 . . . . 79 LEU HB2 . 6519 1 750 . 1 1 79 79 LEU HG H 1 1.806 . . 1 . . . . 79 LEU HG . 6519 1 751 . 1 1 79 79 LEU HD11 H 1 0.907 . . 4 . . . . 79 LEU HD11 . 6519 1 752 . 1 1 79 79 LEU HD12 H 1 0.907 . . 4 . . . . 79 LEU HD11 . 6519 1 753 . 1 1 79 79 LEU HD13 H 1 0.907 . . 4 . . . . 79 LEU HD11 . 6519 1 754 . 1 1 79 79 LEU CA C 13 54.429 . . 1 . . . . 79 LEU CA . 6519 1 755 . 1 1 79 79 LEU CB C 13 42.955 . . 1 . . . . 79 LEU CB . 6519 1 756 . 1 1 79 79 LEU N N 15 122.697 . . 1 . . . . 79 LEU N . 6519 1 757 . 1 1 80 80 CYS H H 1 7.152 . . 1 . . . . 80 CYS H . 6519 1 758 . 1 1 80 80 CYS HA H 1 4.370 . . 1 . . . . 80 CYS HA . 6519 1 759 . 1 1 80 80 CYS HB2 H 1 1.463 . . 2 . . . . 80 CYS HB2 . 6519 1 760 . 1 1 80 80 CYS HB3 H 1 1.773 . . 2 . . . . 80 CYS HB3 . 6519 1 761 . 1 1 80 80 CYS CA C 13 57.910 . . 1 . . . . 80 CYS CA . 6519 1 762 . 1 1 80 80 CYS CB C 13 35.408 . . 1 . . . . 80 CYS CB . 6519 1 763 . 1 1 80 80 CYS N N 15 124.400 . . 1 . . . . 80 CYS N . 6519 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 28 6519 1 1 29 6519 1 1 30 6519 1 1 31 6519 1 1 32 6519 1 1 33 6519 1 2 106 6519 1 2 107 6519 1 2 108 6519 1 2 109 6519 1 2 110 6519 1 2 111 6519 1 3 171 6519 1 3 172 6519 1 3 173 6519 1 3 174 6519 1 3 175 6519 1 3 176 6519 1 4 206 6519 1 4 207 6519 1 4 208 6519 1 5 229 6519 1 5 230 6519 1 5 231 6519 1 6 281 6519 1 6 282 6519 1 6 283 6519 1 6 284 6519 1 6 285 6519 1 6 286 6519 1 7 307 6519 1 7 308 6519 1 7 309 6519 1 7 310 6519 1 7 311 6519 1 7 312 6519 1 8 368 6519 1 8 369 6519 1 8 370 6519 1 8 371 6519 1 8 372 6519 1 8 373 6519 1 9 425 6519 1 9 426 6519 1 9 427 6519 1 9 428 6519 1 9 429 6519 1 9 430 6519 1 10 492 6519 1 10 493 6519 1 10 494 6519 1 10 495 6519 1 10 496 6519 1 10 497 6519 1 11 508 6519 1 11 509 6519 1 11 510 6519 1 12 619 6519 1 12 620 6519 1 12 621 6519 1 13 685 6519 1 13 686 6519 1 13 687 6519 1 14 751 6519 1 14 752 6519 1 14 753 6519 1 stop_ save_