data_7057 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7057 _Entry.Title ; Chemical Shift Assignment for hbSBD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-04-08 _Entry.Accession_date 2006-04-10 _Entry.Last_release_date 2008-10-27 _Entry.Original_release_date 2008-10-27 _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 'hbSBD is the subunit binding domain from E2 fragment of Human branched-chain a-ketoacid dehydrogenase complex' _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 Yi-Jan Lin . YJL . 7057 2 Chi-Fon Chang . CFC . 7057 3 'David T.' Chuang . DTC . 7057 4 Tai-huang Huang . THT . 7057 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Academia Sinica' . 7057 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7057 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 154 7057 '15N chemical shifts' 46 7057 '1H chemical shifts' 309 7057 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 . . 2008-10-27 2006-04-08 original author . 7057 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 7057 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16861235 _Citation.Full_citation . _Citation.Title ; Structure of the subunit binding domain and dynamics of the di-domain region from the core of human branched chain alpha-ketoacid dehydrogenase complex. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 281 _Citation.Journal_issue 38 _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 28345 _Citation.Page_last 28353 _Citation.Year 2006 _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 Chi-Fon Chang . . . 7057 1 2 Hui-Ting Chou . . . 7057 1 3 Yi-Jan Lin . . . 7057 1 4 Shin-Jye Lee . . . 7057 1 5 'Jacinta L.' Chuang . . . 7057 1 6 'David T.' Chuang . . . 7057 1 7 Tai-huang Huang . . . 7057 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7057 _Assembly.ID 1 _Assembly.Name 'hbSBD monomer' _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 'hbSBD monomer' 1 $hbSBD . . no native no no . . . 7057 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hbSBD _Entity.Sf_category entity _Entity.Sf_framecode hbSBD _Entity.Entry_ID 7057 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hbSBD _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 ; GEIKGRKTLATPAVRRLAME NNIKLSEVVGSGKDGRILKE DILNYLEKQTLE ; _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 52 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 11240 . "e3_binding domain" . . . . . 94.23 70 100.00 100.00 3.80e-25 . . . . 7057 1 2 no PDB 1ZWV . "Solution Structure Of The Subunit Binding Domain (Hbsbd) Of The Human Mitochondrial Branched-Chain Alpha-Ketoacid Dehydrogenase" . . . . . 100.00 58 100.00 100.00 1.42e-27 . . . . 7057 1 3 no PDB 2COO . "Solution Structure Of The E3_binding Domain Of Dihydrolipoamide Branched Chaintransacylase" . . . . . 94.23 70 100.00 100.00 3.80e-25 . . . . 7057 1 4 no PDB 3RNM . "The Crystal Structure Of The Subunit Binding Of Human Dihydrolipoamide Transacylase (E2b) Bound To Human Dihydrolipoamide Dehyd" . . . . . 100.00 58 98.08 98.08 1.10e-26 . . . . 7057 1 5 no DBJ BAF62349 . "dihydrolipoamide branched chain transacylase E2 [Pan troglodytes verus]" . . . . . 94.23 524 100.00 100.00 1.81e-22 . . . . 7057 1 6 no DBJ BAG36008 . "unnamed protein product [Homo sapiens]" . . . . . 94.23 482 100.00 100.00 8.50e-23 . . . . 7057 1 7 no DBJ BAG64869 . "unnamed protein product [Homo sapiens]" . . . . . 61.54 301 100.00 100.00 1.53e-11 . . . . 7057 1 8 no EMBL CAA47285 . "transacylase [Homo sapiens]" . . . . . 94.23 482 100.00 100.00 8.50e-23 . . . . 7057 1 9 no EMBL CAH91978 . "hypothetical protein [Pongo abelii]" . . . . . 94.23 524 100.00 100.00 2.77e-22 . . . . 7057 1 10 no GB AAA35589 . "branched chain acyltransferase precursor [Homo sapiens]" . . . . . 94.23 477 100.00 100.00 7.84e-23 . . . . 7057 1 11 no GB AAA59200 . "alpha-keto acid dehydrogenase precursor [Homo sapiens]" . . . . . 94.23 315 100.00 100.00 1.40e-23 . . . . 7057 1 12 no GB AAA64512 . "dihydrolipoyl transacylase [Homo sapiens]" . . . . . 94.23 477 100.00 100.00 6.45e-23 . . . . 7057 1 13 no GB AAH16675 . "Dihydrolipoamide branched chain transacylase E2 [Homo sapiens]" . . . . . 94.23 482 100.00 100.00 8.50e-23 . . . . 7057 1 14 no GB AAP36036 . "dihydrolipoamide branched chain transacylase (E2 component of branched chain keto acid dehydrogenase complex; maple syrup urine" . . . . . 94.23 482 100.00 100.00 8.50e-23 . . . . 7057 1 15 no REF NP_001127490 . "lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, mitochondrial [Pongo abelii]" . . . . . 94.23 524 100.00 100.00 2.77e-22 . . . . 7057 1 16 no REF NP_001136231 . "lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, mitochondrial [Pan troglodytes]" . . . . . 94.23 524 100.00 100.00 1.81e-22 . . . . 7057 1 17 no REF NP_001248206 . "lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, mitochondrial [Macaca mulatta]" . . . . . 94.23 482 100.00 100.00 8.50e-23 . . . . 7057 1 18 no REF NP_001909 . "lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, mitochondrial precursor [Homo sapi" . . . . . 94.23 482 100.00 100.00 8.50e-23 . . . . 7057 1 19 no REF XP_001488662 . "PREDICTED: lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, mitochondrial [Equus ca" . . . . . 94.23 482 97.96 100.00 4.56e-22 . . . . 7057 1 20 no SP P11182 . "RecName: Full=Lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, mitochondrial; AltNa" . . . . . 94.23 482 100.00 100.00 8.50e-23 . . . . 7057 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 . GLY . 7057 1 2 . GLU . 7057 1 3 . ILE . 7057 1 4 . LYS . 7057 1 5 . GLY . 7057 1 6 . ARG . 7057 1 7 . LYS . 7057 1 8 . THR . 7057 1 9 . LEU . 7057 1 10 . ALA . 7057 1 11 . THR . 7057 1 12 . PRO . 7057 1 13 . ALA . 7057 1 14 . VAL . 7057 1 15 . ARG . 7057 1 16 . ARG . 7057 1 17 . LEU . 7057 1 18 . ALA . 7057 1 19 . MET . 7057 1 20 . GLU . 7057 1 21 . ASN . 7057 1 22 . ASN . 7057 1 23 . ILE . 7057 1 24 . LYS . 7057 1 25 . LEU . 7057 1 26 . SER . 7057 1 27 . GLU . 7057 1 28 . VAL . 7057 1 29 . VAL . 7057 1 30 . GLY . 7057 1 31 . SER . 7057 1 32 . GLY . 7057 1 33 . LYS . 7057 1 34 . ASP . 7057 1 35 . GLY . 7057 1 36 . ARG . 7057 1 37 . ILE . 7057 1 38 . LEU . 7057 1 39 . LYS . 7057 1 40 . GLU . 7057 1 41 . ASP . 7057 1 42 . ILE . 7057 1 43 . LEU . 7057 1 44 . ASN . 7057 1 45 . TYR . 7057 1 46 . LEU . 7057 1 47 . GLU . 7057 1 48 . LYS . 7057 1 49 . GLN . 7057 1 50 . THR . 7057 1 51 . LEU . 7057 1 52 . GLU . 7057 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 . GLY 1 1 7057 1 . GLU 2 2 7057 1 . ILE 3 3 7057 1 . LYS 4 4 7057 1 . GLY 5 5 7057 1 . ARG 6 6 7057 1 . LYS 7 7 7057 1 . THR 8 8 7057 1 . LEU 9 9 7057 1 . ALA 10 10 7057 1 . THR 11 11 7057 1 . PRO 12 12 7057 1 . ALA 13 13 7057 1 . VAL 14 14 7057 1 . ARG 15 15 7057 1 . ARG 16 16 7057 1 . LEU 17 17 7057 1 . ALA 18 18 7057 1 . MET 19 19 7057 1 . GLU 20 20 7057 1 . ASN 21 21 7057 1 . ASN 22 22 7057 1 . ILE 23 23 7057 1 . LYS 24 24 7057 1 . LEU 25 25 7057 1 . SER 26 26 7057 1 . GLU 27 27 7057 1 . VAL 28 28 7057 1 . VAL 29 29 7057 1 . GLY 30 30 7057 1 . SER 31 31 7057 1 . GLY 32 32 7057 1 . LYS 33 33 7057 1 . ASP 34 34 7057 1 . GLY 35 35 7057 1 . ARG 36 36 7057 1 . ILE 37 37 7057 1 . LEU 38 38 7057 1 . LYS 39 39 7057 1 . GLU 40 40 7057 1 . ASP 41 41 7057 1 . ILE 42 42 7057 1 . LEU 43 43 7057 1 . ASN 44 44 7057 1 . TYR 45 45 7057 1 . LEU 46 46 7057 1 . GLU 47 47 7057 1 . LYS 48 48 7057 1 . GLN 49 49 7057 1 . THR 50 50 7057 1 . LEU 51 51 7057 1 . GLU 52 52 7057 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 7057 _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 $hbSBD . 9606 . no . Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7057 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 7057 _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 $hbSBD . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7057 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7057 _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 hbSBD '[U-13C; U-15N]' . . 1 $hbSBD . . 1 . . mM . . . . 7057 1 2 'phosphate buffer' . . . . . . . . 1 2 mM . . . . 7057 1 3 NaCl . . . . . . . 100 . . mM . . . . 7057 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 7057 _Sample_condition_list.ID 1 _Sample_condition_list.Details '1-2mM in 50mM phosphate buffer at pH7.5, 100mM NaCl' 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' 100 0.1 mM 7057 1 pH 7.5 0.1 pH 7057 1 temperature 295 0.1 K 7057 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500MHz_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz_spectrometer_1 _NMR_spectrometer.Entry_ID 7057 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_600MHz_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer_2 _NMR_spectrometer.Entry_ID 7057 _NMR_spectrometer.ID 2 _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 7057 _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 HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7057 1 2 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7057 1 3 CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7057 1 4 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7057 1 5 HN(CA)CO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7057 1 6 TOCSY-HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7057 1 7 NOESY-HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7057 1 stop_ save_ save_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HSQC _NMR_spec_expt.Entry_ID 7057 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HSQC _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_ save_HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCACB _NMR_spec_expt.Entry_ID 7057 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCACB _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_ save_CBCA(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCA(CO)NH _NMR_spec_expt.Entry_ID 7057 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCA(CO)NH _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_ save_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCO _NMR_spec_expt.Entry_ID 7057 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCO _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_ save_HN(CA)CO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HN(CA)CO _NMR_spec_expt.Entry_ID 7057 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HN(CA)CO _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_ save_TOCSY-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode TOCSY-HSQC _NMR_spec_expt.Entry_ID 7057 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name TOCSY-HSQC _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_ save_NOESY-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NOESY-HSQC _NMR_spec_expt.Entry_ID 7057 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name NOESY-HSQC _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 7057 _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 . . . . . . . . . 7057 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0 . . . . . . . . . 7057 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 7057 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 7057 _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 $sample_1 isotropic 7057 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 3 3 ILE HA H 1 4.157 0.04 . 1 . . . . 3 ILE HA . 7057 1 2 . 1 1 3 3 ILE HB H 1 1.854 0.04 . 1 . . . . 3 ILE HB . 7057 1 3 . 1 1 3 3 ILE HG12 H 1 1.175 0.04 . 1 . . . . 3 ILE HG12 . 7057 1 4 . 1 1 3 3 ILE HG13 H 1 1.484 0.04 . 1 . . . . 3 ILE HG13 . 7057 1 5 . 1 1 3 3 ILE HG21 H 1 0.87 0.04 . 2 . . . . 3 ILE HG2 . 7057 1 6 . 1 1 3 3 ILE HG22 H 1 0.87 0.04 . 2 . . . . 3 ILE HG2 . 7057 1 7 . 1 1 3 3 ILE HG23 H 1 0.87 0.04 . 2 . . . . 3 ILE HG2 . 7057 1 8 . 1 1 3 3 ILE HD11 H 1 0.829 0.04 . 2 . . . . 3 ILE HD1 . 7057 1 9 . 1 1 3 3 ILE HD12 H 1 0.829 0.04 . 2 . . . . 3 ILE HD1 . 7057 1 10 . 1 1 3 3 ILE HD13 H 1 0.829 0.04 . 2 . . . . 3 ILE HD1 . 7057 1 11 . 1 1 3 3 ILE C C 13 176.2 0.4 . 1 . . . . 3 ILE C . 7057 1 12 . 1 1 3 3 ILE CA C 13 60.6 0.4 . 1 . . . . 3 ILE CA . 7057 1 13 . 1 1 3 3 ILE CB C 13 38.1 0.4 . 1 . . . . 3 ILE CB . 7057 1 14 . 1 1 3 3 ILE CG1 C 13 26.311 0.4 . 1 . . . . 3 ILE CG1 . 7057 1 15 . 1 1 3 3 ILE CG2 C 13 16.47 0.4 . 1 . . . . 3 ILE CG2 . 7057 1 16 . 1 1 3 3 ILE CD1 C 13 11.697 0.4 . 1 . . . . 3 ILE CD1 . 7057 1 17 . 1 1 4 4 LYS HA H 1 4.368 0.04 . 1 . . . . 4 LYS HA . 7057 1 18 . 1 1 4 4 LYS HB2 H 1 1.796 0.04 . 1 . . . . 4 LYS HB1 . 7057 1 19 . 1 1 4 4 LYS HB3 H 1 1.796 0.04 . 1 . . . . 4 LYS HB2 . 7057 1 20 . 1 1 4 4 LYS C C 13 175.6 0.4 . 1 . . . . 4 LYS C . 7057 1 21 . 1 1 4 4 LYS CA C 13 55.812 0.4 . 1 . . . . 4 LYS CA . 7057 1 22 . 1 1 4 4 LYS CB C 13 32.666 0.4 . 1 . . . . 4 LYS CB . 7057 1 23 . 1 1 5 5 GLY H H 1 8.027 0.04 . 1 . . . . 5 GLY H . 7057 1 24 . 1 1 5 5 GLY HA2 H 1 3.924 0.04 . 1 . . . . 5 GLY HA2 . 7057 1 25 . 1 1 5 5 GLY HA3 H 1 3.924 0.04 . 1 . . . . 5 GLY HA3 . 7057 1 26 . 1 1 5 5 GLY C C 13 178.6 0.4 . 1 . . . . 5 GLY C . 7057 1 27 . 1 1 5 5 GLY CA C 13 44.972 0.4 . 1 . . . . 5 GLY CA . 7057 1 28 . 1 1 5 5 GLY N N 15 116.352 0.4 . 1 . . . . 5 GLY N . 7057 1 29 . 1 1 6 6 ARG H H 1 8.168 0.04 . 1 . . . . 6 ARG H . 7057 1 30 . 1 1 6 6 ARG C C 13 179 0.4 . 1 . . . . 6 ARG C . 7057 1 31 . 1 1 6 6 ARG CA C 13 55.6 0.4 . 1 . . . . 6 ARG CA . 7057 1 32 . 1 1 6 6 ARG CB C 13 30.6 0.4 . 1 . . . . 6 ARG CB . 7057 1 33 . 1 1 6 6 ARG N N 15 120.35 0.4 . 1 . . . . 6 ARG N . 7057 1 34 . 1 1 8 8 THR HA H 1 4.111 0.04 . 1 . . . . 8 THR HA . 7057 1 35 . 1 1 8 8 THR HB H 1 3.93 0.04 . 1 . . . . 8 THR HB . 7057 1 36 . 1 1 8 8 THR HG21 H 1 1.048 0.04 . 1 . . . . 8 THR QG2 . 7057 1 37 . 1 1 8 8 THR HG22 H 1 1.048 0.04 . 1 . . . . 8 THR QG2 . 7057 1 38 . 1 1 8 8 THR HG23 H 1 1.048 0.04 . 1 . . . . 8 THR QG2 . 7057 1 39 . 1 1 8 8 THR C C 13 173.6 0.4 . 1 . . . . 8 THR C . 7057 1 40 . 1 1 8 8 THR CA C 13 61.965 0.4 . 1 . . . . 8 THR CA . 7057 1 41 . 1 1 8 8 THR CB C 13 69.876 0.4 . 1 . . . . 8 THR CB . 7057 1 42 . 1 1 9 9 LEU H H 1 8.822 0.04 . 1 . . . . 9 LEU H . 7057 1 43 . 1 1 9 9 LEU HA H 1 4.555 0.04 . 1 . . . . 9 LEU HA . 7057 1 44 . 1 1 9 9 LEU HB2 H 1 1.422 0.04 . 1 . . . . 9 LEU HB2 . 7057 1 45 . 1 1 9 9 LEU HB3 H 1 1.422 0.04 . 1 . . . . 9 LEU HB3 . 7057 1 46 . 1 1 9 9 LEU HG H 1 1.387 0.04 . 1 . . . . 9 LEU HG . 7057 1 47 . 1 1 9 9 LEU HD11 H 1 0.814 0.04 . 2 . . . . 9 LEU HD1 . 7057 1 48 . 1 1 9 9 LEU HD12 H 1 0.814 0.04 . 2 . . . . 9 LEU HD1 . 7057 1 49 . 1 1 9 9 LEU HD13 H 1 0.814 0.04 . 2 . . . . 9 LEU HD1 . 7057 1 50 . 1 1 9 9 LEU HD21 H 1 0.884 0.04 . 2 . . . . 9 LEU HD2 . 7057 1 51 . 1 1 9 9 LEU HD22 H 1 0.884 0.04 . 2 . . . . 9 LEU HD2 . 7057 1 52 . 1 1 9 9 LEU HD23 H 1 0.884 0.04 . 2 . . . . 9 LEU HD2 . 7057 1 53 . 1 1 9 9 LEU C C 13 173.6 0.4 . 1 . . . . 9 LEU C . 7057 1 54 . 1 1 9 9 LEU CA C 13 53.468 0.4 . 1 . . . . 9 LEU CA . 7057 1 55 . 1 1 9 9 LEU CB C 13 42.921 0.4 . 1 . . . . 9 LEU CB . 7057 1 56 . 1 1 9 9 LEU N N 15 128.561 0.4 . 1 . . . . 9 LEU N . 7057 1 57 . 1 1 10 10 ALA H H 1 8.156 0.04 . 1 . . . . 10 ALA H . 7057 1 58 . 1 1 10 10 ALA HA H 1 4.789 0.04 . 1 . . . . 10 ALA HA . 7057 1 59 . 1 1 10 10 ALA HB1 H 1 1.259 0.04 . 1 . . . . 10 ALA HB . 7057 1 60 . 1 1 10 10 ALA HB2 H 1 1.259 0.04 . 1 . . . . 10 ALA HB . 7057 1 61 . 1 1 10 10 ALA HB3 H 1 1.259 0.04 . 1 . . . . 10 ALA HB . 7057 1 62 . 1 1 10 10 ALA C C 13 176.2 0.4 . 1 . . . . 10 ALA C . 7057 1 63 . 1 1 10 10 ALA CA C 13 51.124 0.4 . 1 . . . . 10 ALA CA . 7057 1 64 . 1 1 10 10 ALA CB C 13 21.239 0.4 . 1 . . . . 10 ALA CB . 7057 1 65 . 1 1 10 10 ALA N N 15 123.56 0.4 . 1 . . . . 10 ALA N . 7057 1 66 . 1 1 11 11 THR H H 1 8.705 0.04 . 1 . . . . 11 THR H . 7057 1 67 . 1 1 11 11 THR HA H 1 4.625 0.04 . 1 . . . . 11 THR HA . 7057 1 68 . 1 1 11 11 THR HG21 H 1 1.422 0.04 . 1 . . . . 11 THR HG2 . 7057 1 69 . 1 1 11 11 THR HG22 H 1 1.422 0.04 . 1 . . . . 11 THR HG2 . 7057 1 70 . 1 1 11 11 THR HG23 H 1 1.422 0.04 . 1 . . . . 11 THR HG2 . 7057 1 71 . 1 1 11 11 THR C C 13 173.4 0.4 . 1 . . . . 11 THR C . 7057 1 72 . 1 1 11 11 THR CA C 13 60.1 0.4 . 1 . . . . 11 THR CA . 7057 1 73 . 1 1 11 11 THR CB C 13 67.9 0.4 . 1 . . . . 11 THR CB . 7057 1 74 . 1 1 11 11 THR N N 15 114.809 0.4 . 1 . . . . 11 THR N . 7057 1 75 . 1 1 12 12 PRO CA C 13 65.505 0.4 . 1 . . . . 12 PRO CA . 7057 1 76 . 1 1 12 12 PRO CB C 13 30.999 0.4 . 1 . . . . 12 PRO CB . 7057 1 77 . 1 1 12 12 PRO CG C 13 27.194 0.4 . 1 . . . . 12 PRO CG . 7057 1 78 . 1 1 12 12 PRO CD C 13 49.742 0.4 . 1 . . . . 12 PRO CD . 7057 1 79 . 1 1 13 13 ALA HA H 1 4.111 0.04 . 1 . . . . 13 ALA HA . 7057 1 80 . 1 1 13 13 ALA HB1 H 1 1.469 0.04 . 1 . . . . 13 ALA HB . 7057 1 81 . 1 1 13 13 ALA HB2 H 1 1.469 0.04 . 1 . . . . 13 ALA HB . 7057 1 82 . 1 1 13 13 ALA HB3 H 1 1.469 0.04 . 1 . . . . 13 ALA HB . 7057 1 83 . 1 1 13 13 ALA C C 13 180.9 0.4 . 1 . . . . 13 ALA C . 7057 1 84 . 1 1 13 13 ALA CA C 13 54.347 0.4 . 1 . . . . 13 ALA CA . 7057 1 85 . 1 1 13 13 ALA CB C 13 18.309 0.4 . 1 . . . . 13 ALA CB . 7057 1 86 . 1 1 14 14 VAL H H 1 7.606 0.04 . 1 . . . . 14 VAL H . 7057 1 87 . 1 1 14 14 VAL HA H 1 3.503 0.04 . 1 . . . . 14 VAL HA . 7057 1 88 . 1 1 14 14 VAL HB H 1 2.147 0.04 . 1 . . . . 14 VAL HB . 7057 1 89 . 1 1 14 14 VAL HG11 H 1 0.768 0.04 . 2 . . . . 14 VAL HG1 . 7057 1 90 . 1 1 14 14 VAL HG12 H 1 0.768 0.04 . 2 . . . . 14 VAL HG1 . 7057 1 91 . 1 1 14 14 VAL HG13 H 1 0.768 0.04 . 2 . . . . 14 VAL HG1 . 7057 1 92 . 1 1 14 14 VAL HG21 H 1 1.025 0.04 . 2 . . . . 14 VAL HG2 . 7057 1 93 . 1 1 14 14 VAL HG22 H 1 1.025 0.04 . 2 . . . . 14 VAL HG2 . 7057 1 94 . 1 1 14 14 VAL HG23 H 1 1.025 0.04 . 2 . . . . 14 VAL HG2 . 7057 1 95 . 1 1 14 14 VAL C C 13 177.1 0.4 . 1 . . . . 14 VAL C . 7057 1 96 . 1 1 14 14 VAL CA C 13 66.946 0.4 . 1 . . . . 14 VAL CA . 7057 1 97 . 1 1 14 14 VAL CB C 13 31.201 0.4 . 1 . . . . 14 VAL CB . 7057 1 98 . 1 1 14 14 VAL N N 15 121.998 0.4 . 1 . . . . 14 VAL N . 7057 1 99 . 1 1 15 15 ARG H H 1 8.483 0.04 . 1 . . . . 15 ARG H . 7057 1 100 . 1 1 15 15 ARG HA H 1 3.83 0.04 . 1 . . . . 15 ARG HA . 7057 1 101 . 1 1 15 15 ARG HB2 H 1 1.469 0.04 . 1 . . . . 15 ARG HB2 . 7057 1 102 . 1 1 15 15 ARG HB3 H 1 1.82 0.04 . 1 . . . . 15 ARG HB3 . 7057 1 103 . 1 1 15 15 ARG HD2 H 1 3.23 0.04 . 1 . . . . 15 ARG HD2 . 7057 1 104 . 1 1 15 15 ARG HD3 H 1 3.23 0.04 . 1 . . . . 15 ARG HD3 . 7057 1 105 . 1 1 15 15 ARG C C 13 179.2 0.4 . 1 . . . . 15 ARG C . 7057 1 106 . 1 1 15 15 ARG CA C 13 59.914 0.4 . 1 . . . . 15 ARG CA . 7057 1 107 . 1 1 15 15 ARG CB C 13 29.15 0.4 . 1 . . . . 15 ARG CB . 7057 1 108 . 1 1 15 15 ARG N N 15 119.185 0.4 . 1 . . . . 15 ARG N . 7057 1 109 . 1 1 16 16 ARG H H 1 8.448 0.04 . 1 . . . . 16 ARG H . 7057 1 110 . 1 1 16 16 ARG HA H 1 4.111 0.04 . 1 . . . . 16 ARG HA . 7057 1 111 . 1 1 16 16 ARG HB2 H 1 1.89 0.04 . 1 . . . . 16 ARG HB2 . 7057 1 112 . 1 1 16 16 ARG HB3 H 1 1.89 0.04 . 1 . . . . 16 ARG HB3 . 7057 1 113 . 1 1 16 16 ARG HG2 H 1 1.61 0.04 . 1 . . . . 16 ARG HG2 . 7057 1 114 . 1 1 16 16 ARG HG3 H 1 1.61 0.04 . 1 . . . . 16 ARG HG3 . 7057 1 115 . 1 1 16 16 ARG HD2 H 1 3.222 0.04 . 1 . . . . 16 ARG HD2 . 7057 1 116 . 1 1 16 16 ARG HD3 H 1 3.222 0.04 . 1 . . . . 16 ARG HD3 . 7057 1 117 . 1 1 16 16 ARG C C 13 177.3 0.4 . 1 . . . . 16 ARG C . 7057 1 118 . 1 1 16 16 ARG CA C 13 58.742 0.4 . 1 . . . . 16 ARG CA . 7057 1 119 . 1 1 16 16 ARG CB C 13 29.736 0.4 . 1 . . . . 16 ARG CB . 7057 1 120 . 1 1 16 16 ARG N N 15 120.122 0.4 . 1 . . . . 16 ARG N . 7057 1 121 . 1 1 17 17 LEU H H 1 7.548 0.04 . 1 . . . . 17 LEU H . 7057 1 122 . 1 1 17 17 LEU HA H 1 4.181 0.04 . 1 . . . . 17 LEU HA . 7057 1 123 . 1 1 17 17 LEU HB2 H 1 1.679 0.04 . 1 . . . . 17 LEU HB2 . 7057 1 124 . 1 1 17 17 LEU HB3 H 1 1.89 0.04 . 1 . . . . 17 LEU HB3 . 7057 1 125 . 1 1 17 17 LEU HD11 H 1 0.908 0.04 . 2 . . . . 17 LEU HD1 . 7057 1 126 . 1 1 17 17 LEU HD12 H 1 0.908 0.04 . 2 . . . . 17 LEU HD1 . 7057 1 127 . 1 1 17 17 LEU HD13 H 1 0.908 0.04 . 2 . . . . 17 LEU HD1 . 7057 1 128 . 1 1 17 17 LEU C C 13 179.4 0.4 . 1 . . . . 17 LEU C . 7057 1 129 . 1 1 17 17 LEU CA C 13 57.277 0.4 . 1 . . . . 17 LEU CA . 7057 1 130 . 1 1 17 17 LEU CB C 13 42.042 0.4 . 1 . . . . 17 LEU CB . 7057 1 131 . 1 1 17 17 LEU N N 15 120.748 0.4 . 1 . . . . 17 LEU N . 7057 1 132 . 1 1 18 18 ALA H H 1 8.226 0.04 . 1 . . . . 18 ALA H . 7057 1 133 . 1 1 18 18 ALA HA H 1 3.877 0.04 . 1 . . . . 18 ALA HA . 7057 1 134 . 1 1 18 18 ALA HB1 H 1 1.422 0.04 . 1 . . . . 18 ALA HB . 7057 1 135 . 1 1 18 18 ALA HB2 H 1 1.422 0.04 . 1 . . . . 18 ALA HB . 7057 1 136 . 1 1 18 18 ALA HB3 H 1 1.422 0.04 . 1 . . . . 18 ALA HB . 7057 1 137 . 1 1 18 18 ALA C C 13 179 0.4 . 1 . . . . 18 ALA C . 7057 1 138 . 1 1 18 18 ALA CA C 13 54.64 0.4 . 1 . . . . 18 ALA CA . 7057 1 139 . 1 1 18 18 ALA CB C 13 17.43 0.4 . 1 . . . . 18 ALA CB . 7057 1 140 . 1 1 18 18 ALA N N 15 120.435 0.4 . 1 . . . . 18 ALA N . 7057 1 141 . 1 1 19 19 MET H H 1 8.132 0.04 . 1 . . . . 19 MET H . 7057 1 142 . 1 1 19 19 MET HA H 1 4.204 0.04 . 1 . . . . 19 MET HA . 7057 1 143 . 1 1 19 19 MET HB2 H 1 2.264 0.04 . 1 . . . . 19 MET HB2 . 7057 1 144 . 1 1 19 19 MET HB3 H 1 2.264 0.04 . 1 . . . . 19 MET HB3 . 7057 1 145 . 1 1 19 19 MET HG2 H 1 2.614 0.04 . 1 . . . . 19 MET HG2 . 7057 1 146 . 1 1 19 19 MET HG3 H 1 2.731 0.04 . 1 . . . . 19 MET HG3 . 7057 1 147 . 1 1 19 19 MET C C 13 180.5 0.4 . 1 . . . . 19 MET C . 7057 1 148 . 1 1 19 19 MET CA C 13 58.449 0.4 . 1 . . . . 19 MET CA . 7057 1 149 . 1 1 19 19 MET CB C 13 32.08 0.4 . 1 . . . . 19 MET CB . 7057 1 150 . 1 1 19 19 MET CG C 13 31.494 0.4 . 1 . . . . 19 MET CG . 7057 1 151 . 1 1 19 19 MET N N 15 118.56 0.4 . 1 . . . . 19 MET N . 7057 1 152 . 1 1 20 20 GLU H H 1 8.764 0.04 . 1 . . . . 20 GLU H . 7057 1 153 . 1 1 20 20 GLU HA H 1 4.041 0.04 . 1 . . . . 20 GLU HA . 7057 1 154 . 1 1 20 20 GLU HB2 H 1 2.17 0.04 . 1 . . . . 20 GLU HB2 . 7057 1 155 . 1 1 20 20 GLU HB3 H 1 2.17 0.04 . 1 . . . . 20 GLU HB3 . 7057 1 156 . 1 1 20 20 GLU HG2 H 1 2.474 0.04 . 1 . . . . 20 GLU HG2 . 7057 1 157 . 1 1 20 20 GLU HG3 H 1 2.474 0.04 . 1 . . . . 20 GLU HG3 . 7057 1 158 . 1 1 20 20 GLU C C 13 176.8 0.4 . 1 . . . . 20 GLU C . 7057 1 159 . 1 1 20 20 GLU CA C 13 58.742 0.4 . 1 . . . . 20 GLU CA . 7057 1 160 . 1 1 20 20 GLU CB C 13 29.4 0.4 . 1 . . . . 20 GLU CB . 7057 1 161 . 1 1 20 20 GLU N N 15 119.497 0.4 . 1 . . . . 20 GLU N . 7057 1 162 . 1 1 21 21 ASN H H 1 7.244 0.04 . 1 . . . . 21 ASN H . 7057 1 163 . 1 1 21 21 ASN HA H 1 4.812 0.04 . 1 . . . . 21 ASN HA . 7057 1 164 . 1 1 21 21 ASN HB2 H 1 2.334 0.04 . 1 . . . . 21 ASN HB2 . 7057 1 165 . 1 1 21 21 ASN HB3 H 1 2.965 0.04 . 1 . . . . 21 ASN HB3 . 7057 1 166 . 1 1 21 21 ASN HD21 H 1 7.501 0.04 . 1 . . . . 21 ASN HD21 . 7057 1 167 . 1 1 21 21 ASN HD22 H 1 7.747 0.04 . 1 . . . . 21 ASN HD22 . 7057 1 168 . 1 1 21 21 ASN C C 13 172.514 0.4 . 1 . . . . 21 ASN C . 7057 1 169 . 1 1 21 21 ASN CA C 13 53.468 0.4 . 1 . . . . 21 ASN CA . 7057 1 170 . 1 1 21 21 ASN CB C 13 40.87 0.4 . 1 . . . . 21 ASN CB . 7057 1 171 . 1 1 21 21 ASN CG C 13 177.5 0.4 . 1 . . . . 21 ASN CG . 7057 1 172 . 1 1 21 21 ASN N N 15 113.872 0.4 . 1 . . . . 21 ASN N . 7057 1 173 . 1 1 21 21 ASN ND2 N 15 115.278 0.4 . 1 . . . . 21 ASN ND2 . 7057 1 174 . 1 1 22 22 ASN H H 1 7.98 0.04 . 1 . . . . 22 ASN H . 7057 1 175 . 1 1 22 22 ASN HA H 1 4.368 0.04 . 1 . . . . 22 ASN HA . 7057 1 176 . 1 1 22 22 ASN HB2 H 1 2.755 0.04 . 1 . . . . 22 ASN HB2 . 7057 1 177 . 1 1 22 22 ASN HB3 H 1 3.082 0.04 . 1 . . . . 22 ASN HB3 . 7057 1 178 . 1 1 22 22 ASN HD21 H 1 6.846 0.04 . 1 . . . . 22 ASN HD21 . 7057 1 179 . 1 1 22 22 ASN HD22 H 1 7.63 0.04 . 1 . . . . 22 ASN HD22 . 7057 1 180 . 1 1 22 22 ASN C C 13 173.6 0.4 . 1 . . . . 22 ASN C . 7057 1 181 . 1 1 22 22 ASN CA C 13 54.347 0.4 . 1 . . . . 22 ASN CA . 7057 1 182 . 1 1 22 22 ASN CB C 13 37.061 0.4 . 1 . . . . 22 ASN CB . 7057 1 183 . 1 1 22 22 ASN CG C 13 178.271 0.4 . 1 . . . . 22 ASN CG . 7057 1 184 . 1 1 22 22 ASN N N 15 115.747 0.4 . 1 . . . . 22 ASN N . 7057 1 185 . 1 1 22 22 ASN ND2 N 15 112.934 0.4 . 1 . . . . 22 ASN ND2 . 7057 1 186 . 1 1 23 23 ILE H H 1 8.097 0.04 . 1 . . . . 23 ILE H . 7057 1 187 . 1 1 23 23 ILE HA H 1 4.181 0.04 . 1 . . . . 23 ILE HA . 7057 1 188 . 1 1 23 23 ILE HB H 1 1.492 0.04 . 1 . . . . 23 ILE HB . 7057 1 189 . 1 1 23 23 ILE HG12 H 1 1.025 0.04 . 1 . . . . 23 ILE HG12 . 7057 1 190 . 1 1 23 23 ILE HG13 H 1 1.42 0.04 . 1 . . . . 23 ILE HG13 . 7057 1 191 . 1 1 23 23 ILE HG21 H 1 0.417 0.04 . 2 . . . . 23 ILE HG2 . 7057 1 192 . 1 1 23 23 ILE HG22 H 1 0.417 0.04 . 2 . . . . 23 ILE HG2 . 7057 1 193 . 1 1 23 23 ILE HG23 H 1 0.417 0.04 . 2 . . . . 23 ILE HG2 . 7057 1 194 . 1 1 23 23 ILE HD11 H 1 0.768 0.04 . 2 . . . . 23 ILE HD1 . 7057 1 195 . 1 1 23 23 ILE HD12 H 1 0.768 0.04 . 2 . . . . 23 ILE HD1 . 7057 1 196 . 1 1 23 23 ILE HD13 H 1 0.768 0.04 . 2 . . . . 23 ILE HD1 . 7057 1 197 . 1 1 23 23 ILE C C 13 175.3 0.4 . 1 . . . . 23 ILE C . 7057 1 198 . 1 1 23 23 ILE CA C 13 59.328 0.4 . 1 . . . . 23 ILE CA . 7057 1 199 . 1 1 23 23 ILE CB C 13 39.991 0.4 . 1 . . . . 23 ILE CB . 7057 1 200 . 1 1 23 23 ILE CG2 C 13 17.137 0.4 . 1 . . . . 23 ILE CG2 . 7057 1 201 . 1 1 23 23 ILE CD1 C 13 14.5 0.4 . 1 . . . . 23 ILE CD1 . 7057 1 202 . 1 1 23 23 ILE N N 15 117.31 0.4 . 1 . . . . 23 ILE N . 7057 1 203 . 1 1 24 24 LYS H H 1 8.67 0.04 . 1 . . . . 24 LYS H . 7057 1 204 . 1 1 24 24 LYS HA H 1 4.251 0.04 . 1 . . . . 24 LYS HA . 7057 1 205 . 1 1 24 24 LYS HB2 H 1 1.656 0.04 . 1 . . . . 24 LYS HB2 . 7057 1 206 . 1 1 24 24 LYS HB3 H 1 1.656 0.04 . 1 . . . . 24 LYS HB3 . 7057 1 207 . 1 1 24 24 LYS HG2 H 1 1.399 0.04 . 1 . . . . 24 LYS HG2 . 7057 1 208 . 1 1 24 24 LYS HG3 H 1 1.399 0.04 . 1 . . . . 24 LYS HG3 . 7057 1 209 . 1 1 24 24 LYS HD2 H 1 1.796 0.04 . 1 . . . . 24 LYS HD2 . 7057 1 210 . 1 1 24 24 LYS HD3 H 1 1.796 0.04 . 1 . . . . 24 LYS HD3 . 7057 1 211 . 1 1 24 24 LYS HE2 H 1 2.944 0.04 . 1 . . . . 24 LYS HE2 . 7057 1 212 . 1 1 24 24 LYS HE3 H 1 2.944 0.04 . 1 . . . . 24 LYS HE3 . 7057 1 213 . 1 1 24 24 LYS C C 13 176.6 0.4 . 1 . . . . 24 LYS C . 7057 1 214 . 1 1 24 24 LYS CA C 13 55 0.4 . 1 . . . . 24 LYS CA . 7057 1 215 . 1 1 24 24 LYS CB C 13 31.9 0.4 . 1 . . . . 24 LYS CB . 7057 1 216 . 1 1 24 24 LYS N N 15 127.623 0.4 . 1 . . . . 24 LYS N . 7057 1 217 . 1 1 25 25 LEU H H 1 8.448 0.04 . 1 . . . . 25 LEU H . 7057 1 218 . 1 1 25 25 LEU HA H 1 3.667 0.04 . 1 . . . . 25 LEU HA . 7057 1 219 . 1 1 25 25 LEU HB2 H 1 1.422 0.04 . 1 . . . . 25 LEU HB2 . 7057 1 220 . 1 1 25 25 LEU HB3 H 1 1.656 0.04 . 1 . . . . 25 LEU HB3 . 7057 1 221 . 1 1 25 25 LEU HD11 H 1 0.651 0.04 . 2 . . . . 25 LEU HD1 . 7057 1 222 . 1 1 25 25 LEU HD12 H 1 0.651 0.04 . 2 . . . . 25 LEU HD1 . 7057 1 223 . 1 1 25 25 LEU HD13 H 1 0.651 0.04 . 2 . . . . 25 LEU HD1 . 7057 1 224 . 1 1 25 25 LEU HD21 H 1 0.768 0.04 . 2 . . . . 25 LEU HD2 . 7057 1 225 . 1 1 25 25 LEU HD22 H 1 0.768 0.04 . 2 . . . . 25 LEU HD2 . 7057 1 226 . 1 1 25 25 LEU HD23 H 1 0.768 0.04 . 2 . . . . 25 LEU HD2 . 7057 1 227 . 1 1 25 25 LEU C C 13 177.5 0.4 . 1 . . . . 25 LEU C . 7057 1 228 . 1 1 25 25 LEU CA C 13 57.277 0.4 . 1 . . . . 25 LEU CA . 7057 1 229 . 1 1 25 25 LEU CB C 13 41.163 0.4 . 1 . . . . 25 LEU CB . 7057 1 230 . 1 1 25 25 LEU N N 15 126.373 0.4 . 1 . . . . 25 LEU N . 7057 1 231 . 1 1 26 26 SER H H 1 7.969 0.04 . 1 . . . . 26 SER H . 7057 1 232 . 1 1 26 26 SER HA H 1 4.017 0.04 . 1 . . . . 26 SER HA . 7057 1 233 . 1 1 26 26 SER HB2 H 1 3.784 0.04 . 1 . . . . 26 SER HB2 . 7057 1 234 . 1 1 26 26 SER HB3 H 1 3.784 0.04 . 1 . . . . 26 SER HB3 . 7057 1 235 . 1 1 26 26 SER C C 13 175.3 0.4 . 1 . . . . 26 SER C . 7057 1 236 . 1 1 26 26 SER CA C 13 59.621 0.4 . 1 . . . . 26 SER CA . 7057 1 237 . 1 1 26 26 SER CB C 13 62.258 0.4 . 1 . . . . 26 SER CB . 7057 1 238 . 1 1 26 26 SER N N 15 109.184 0.4 . 1 . . . . 26 SER N . 7057 1 239 . 1 1 27 27 GLU H H 1 7.723 0.04 . 1 . . . . 27 GLU H . 7057 1 240 . 1 1 27 27 GLU HA H 1 4.251 0.04 . 1 . . . . 27 GLU HA . 7057 1 241 . 1 1 27 27 GLU HB2 H 1 1.937 0.04 . 1 . . . . 27 GLU HB2 . 7057 1 242 . 1 1 27 27 GLU HB3 H 1 2.287 0.04 . 1 . . . . 27 GLU HB3 . 7057 1 243 . 1 1 27 27 GLU HG2 H 1 2.275 0.04 . 1 . . . . 27 GLU HG2 . 7057 1 244 . 1 1 27 27 GLU C C 13 175.1 0.4 . 1 . . . . 27 GLU C . 7057 1 245 . 1 1 27 27 GLU CA C 13 56 0.4 . 1 . . . . 27 GLU CA . 7057 1 246 . 1 1 27 27 GLU CB C 13 30.029 0.4 . 1 . . . . 27 GLU CB . 7057 1 247 . 1 1 27 27 GLU N N 15 119.497 0.4 . 1 . . . . 27 GLU N . 7057 1 248 . 1 1 28 28 VAL H H 1 7.314 0.04 . 1 . . . . 28 VAL H . 7057 1 249 . 1 1 28 28 VAL HA H 1 3.83 0.04 . 1 . . . . 28 VAL HA . 7057 1 250 . 1 1 28 28 VAL HB H 1 1.913 0.04 . 1 . . . . 28 VAL HB . 7057 1 251 . 1 1 28 28 VAL HG11 H 1 0.323 0.04 . 2 . . . . 28 VAL HG1 . 7057 1 252 . 1 1 28 28 VAL HG12 H 1 0.323 0.04 . 2 . . . . 28 VAL HG1 . 7057 1 253 . 1 1 28 28 VAL HG13 H 1 0.323 0.04 . 2 . . . . 28 VAL HG1 . 7057 1 254 . 1 1 28 28 VAL HG21 H 1 0.627 0.04 . 2 . . . . 28 VAL HG2 . 7057 1 255 . 1 1 28 28 VAL HG22 H 1 0.627 0.04 . 2 . . . . 28 VAL HG2 . 7057 1 256 . 1 1 28 28 VAL HG23 H 1 0.627 0.04 . 2 . . . . 28 VAL HG2 . 7057 1 257 . 1 1 28 28 VAL C C 13 174.1 0.4 . 1 . . . . 28 VAL C . 7057 1 258 . 1 1 28 28 VAL CA C 13 61.086 0.4 . 1 . . . . 28 VAL CA . 7057 1 259 . 1 1 28 28 VAL CB C 13 32.666 0.4 . 1 . . . . 28 VAL CB . 7057 1 260 . 1 1 28 28 VAL N N 15 119.497 0.4 . 1 . . . . 28 VAL N . 7057 1 261 . 1 1 29 29 VAL H H 1 8.53 0.04 . 1 . . . . 29 VAL H . 7057 1 262 . 1 1 29 29 VAL HA H 1 3.83 0.04 . 1 . . . . 29 VAL HA . 7057 1 263 . 1 1 29 29 VAL HB H 1 1.96 0.04 . 1 . . . . 29 VAL HB . 7057 1 264 . 1 1 29 29 VAL HG11 H 1 0.873 0.04 . 2 . . . . 29 VAL HG1 . 7057 1 265 . 1 1 29 29 VAL HG12 H 1 0.873 0.04 . 2 . . . . 29 VAL HG1 . 7057 1 266 . 1 1 29 29 VAL HG13 H 1 0.873 0.04 . 2 . . . . 29 VAL HG1 . 7057 1 267 . 1 1 29 29 VAL HG21 H 1 0.931 0.04 . 2 . . . . 29 VAL HG2 . 7057 1 268 . 1 1 29 29 VAL HG22 H 1 0.931 0.04 . 2 . . . . 29 VAL HG2 . 7057 1 269 . 1 1 29 29 VAL HG23 H 1 0.931 0.04 . 2 . . . . 29 VAL HG2 . 7057 1 270 . 1 1 29 29 VAL C C 13 175.8 0.4 . 1 . . . . 29 VAL C . 7057 1 271 . 1 1 29 29 VAL CA C 13 61.965 0.4 . 1 . . . . 29 VAL CA . 7057 1 272 . 1 1 29 29 VAL CB C 13 31.787 0.4 . 1 . . . . 29 VAL CB . 7057 1 273 . 1 1 29 29 VAL N N 15 127.311 0.4 . 1 . . . . 29 VAL N . 7057 1 274 . 1 1 30 30 GLY H H 1 8.647 0.04 . 1 . . . . 30 GLY H . 7057 1 275 . 1 1 30 30 GLY HA2 H 1 3.363 0.04 . 1 . . . . 30 GLY HA2 . 7057 1 276 . 1 1 30 30 GLY HA3 H 1 4.275 0.04 . 1 . . . . 30 GLY HA3 . 7057 1 277 . 1 1 30 30 GLY C C 13 174.5 0.4 . 1 . . . . 30 GLY C . 7057 1 278 . 1 1 30 30 GLY CA C 13 45.558 0.4 . 1 . . . . 30 GLY CA . 7057 1 279 . 1 1 30 30 GLY N N 15 116.06 0.4 . 1 . . . . 30 GLY N . 7057 1 280 . 1 1 31 31 SER H H 1 10.178 0.04 . 1 . . . . 31 SER H . 7057 1 281 . 1 1 31 31 SER HA H 1 4.602 0.04 . 1 . . . . 31 SER HA . 7057 1 282 . 1 1 31 31 SER HB2 H 1 3.784 0.04 . 1 . . . . 31 SER HB2 . 7057 1 283 . 1 1 31 31 SER HB3 H 1 4.088 0.04 . 1 . . . . 31 SER HB3 . 7057 1 284 . 1 1 31 31 SER C C 13 176.2 0.4 . 1 . . . . 31 SER C . 7057 1 285 . 1 1 31 31 SER CA C 13 57.863 0.4 . 1 . . . . 31 SER CA . 7057 1 286 . 1 1 31 31 SER CB C 13 63.723 0.4 . 1 . . . . 31 SER CB . 7057 1 287 . 1 1 31 31 SER N N 15 120.435 0.4 . 1 . . . . 31 SER N . 7057 1 288 . 1 1 32 32 GLY H H 1 8.997 0.04 . 1 . . . . 32 GLY H . 7057 1 289 . 1 1 32 32 GLY HA2 H 1 3.526 0.04 . 1 . . . . 32 GLY HA2 . 7057 1 290 . 1 1 32 32 GLY HA3 H 1 4.368 0.04 . 1 . . . . 32 GLY HA3 . 7057 1 291 . 1 1 32 32 GLY C C 13 173.2 0.4 . 1 . . . . 32 GLY C . 7057 1 292 . 1 1 32 32 GLY CA C 13 44.093 0.4 . 1 . . . . 32 GLY CA . 7057 1 293 . 1 1 32 32 GLY N N 15 111.371 0.4 . 1 . . . . 32 GLY N . 7057 1 294 . 1 1 34 34 ASP HA H 1 4.321 0.04 . 1 . . . . 34 ASP HA . 7057 1 295 . 1 1 34 34 ASP HB2 H 1 2.755 0.04 . 1 . . . . 34 ASP HB2 . 7057 1 296 . 1 1 34 34 ASP HB3 H 1 2.872 0.04 . 1 . . . . 34 ASP HB3 . 7057 1 297 . 1 1 34 34 ASP C C 13 174.5 0.4 . 1 . . . . 34 ASP C . 7057 1 298 . 1 1 34 34 ASP CA C 13 55.519 0.4 . 1 . . . . 34 ASP CA . 7057 1 299 . 1 1 34 34 ASP CB C 13 39.112 0.4 . 1 . . . . 34 ASP CB . 7057 1 300 . 1 1 35 35 GLY H H 1 7.875 0.04 . 1 . . . . 35 GLY H . 7057 1 301 . 1 1 35 35 GLY HA2 H 1 3.526 0.04 . 1 . . . . 35 GLY HA2 . 7057 1 302 . 1 1 35 35 GLY HA3 H 1 4.064 0.04 . 1 . . . . 35 GLY HA3 . 7057 1 303 . 1 1 35 35 GLY C C 13 174.5 0.4 . 1 . . . . 35 GLY C . 7057 1 304 . 1 1 35 35 GLY CA C 13 44.972 0.4 . 1 . . . . 35 GLY CA . 7057 1 305 . 1 1 35 35 GLY N N 15 103.558 0.4 . 1 . . . . 35 GLY N . 7057 1 306 . 1 1 36 36 ARG H H 1 7.057 0.04 . 1 . . . . 36 ARG H . 7057 1 307 . 1 1 36 36 ARG HA H 1 4.134 0.04 . 1 . . . . 36 ARG HA . 7057 1 308 . 1 1 36 36 ARG C C 13 174.1 0.4 . 1 . . . . 36 ARG C . 7057 1 309 . 1 1 36 36 ARG CA C 13 56.691 0.4 . 1 . . . . 36 ARG CA . 7057 1 310 . 1 1 36 36 ARG N N 15 121.685 0.4 . 1 . . . . 36 ARG N . 7057 1 311 . 1 1 37 37 ILE H H 1 8.506 0.04 . 1 . . . . 37 ILE H . 7057 1 312 . 1 1 37 37 ILE HA H 1 4.251 0.04 . 1 . . . . 37 ILE HA . 7057 1 313 . 1 1 37 37 ILE HB H 1 1.714 0.04 . 1 . . . . 37 ILE HB . 7057 1 314 . 1 1 37 37 ILE HG12 H 1 1.784 0.04 . 1 . . . . 37 ILE HG12 . 7057 1 315 . 1 1 37 37 ILE HG21 H 1 0.814 0.04 . 2 . . . . 37 ILE HG2 . 7057 1 316 . 1 1 37 37 ILE HG22 H 1 0.814 0.04 . 2 . . . . 37 ILE HG2 . 7057 1 317 . 1 1 37 37 ILE HG23 H 1 0.814 0.04 . 2 . . . . 37 ILE HG2 . 7057 1 318 . 1 1 37 37 ILE HD11 H 1 0.838 0.04 . 2 . . . . 37 ILE HD1 . 7057 1 319 . 1 1 37 37 ILE HD12 H 1 0.838 0.04 . 2 . . . . 37 ILE HD1 . 7057 1 320 . 1 1 37 37 ILE HD13 H 1 0.838 0.04 . 2 . . . . 37 ILE HD1 . 7057 1 321 . 1 1 37 37 ILE C C 13 174.1 0.4 . 1 . . . . 37 ILE C . 7057 1 322 . 1 1 37 37 ILE CA C 13 60.793 0.4 . 1 . . . . 37 ILE CA . 7057 1 323 . 1 1 37 37 ILE CB C 13 38.526 0.4 . 1 . . . . 37 ILE CB . 7057 1 324 . 1 1 37 37 ILE CG2 C 13 18.602 0.4 . 1 . . . . 37 ILE CG2 . 7057 1 325 . 1 1 37 37 ILE CD1 C 13 14.793 0.4 . 1 . . . . 37 ILE CD1 . 7057 1 326 . 1 1 37 37 ILE N N 15 125.748 0.4 . 1 . . . . 37 ILE N . 7057 1 327 . 1 1 38 38 LEU H H 1 9.523 0.04 . 1 . . . . 38 LEU H . 7057 1 328 . 1 1 38 38 LEU HA H 1 4.742 0.04 . 1 . . . . 38 LEU HA . 7057 1 329 . 1 1 38 38 LEU HB2 H 1 1.539 0.04 . 1 . . . . 38 LEU HB2 . 7057 1 330 . 1 1 38 38 LEU HB3 H 1 1.82 0.04 . 1 . . . . 38 LEU HB3 . 7057 1 331 . 1 1 38 38 LEU HG H 1 1.656 0.04 . 1 . . . . 38 LEU HG . 7057 1 332 . 1 1 38 38 LEU HD11 H 1 0.814 0.04 . 2 . . . . 38 LEU HD1 . 7057 1 333 . 1 1 38 38 LEU HD12 H 1 0.814 0.04 . 2 . . . . 38 LEU HD1 . 7057 1 334 . 1 1 38 38 LEU HD13 H 1 0.814 0.04 . 2 . . . . 38 LEU HD1 . 7057 1 335 . 1 1 38 38 LEU HD21 H 1 0.837 0.04 . 2 . . . . 38 LEU HD2 . 7057 1 336 . 1 1 38 38 LEU HD22 H 1 0.837 0.04 . 2 . . . . 38 LEU HD2 . 7057 1 337 . 1 1 38 38 LEU HD23 H 1 0.837 0.04 . 2 . . . . 38 LEU HD2 . 7057 1 338 . 1 1 38 38 LEU C C 13 179.2 0.4 . 1 . . . . 38 LEU C . 7057 1 339 . 1 1 38 38 LEU CA C 13 52.589 0.4 . 1 . . . . 38 LEU CA . 7057 1 340 . 1 1 38 38 LEU CB C 13 43.507 0.4 . 1 . . . . 38 LEU CB . 7057 1 341 . 1 1 38 38 LEU N N 15 128.561 0.4 . 1 . . . . 38 LEU N . 7057 1 342 . 1 1 39 39 LYS H H 1 9.371 0.04 . 1 . . . . 39 LYS H . 7057 1 343 . 1 1 39 39 LYS HA H 1 3.69 0.04 . 1 . . . . 39 LYS HA . 7057 1 344 . 1 1 39 39 LYS HB2 H 1 1.703 0.04 . 1 . . . . 39 LYS HB2 . 7057 1 345 . 1 1 39 39 LYS HB3 H 1 1.866 0.04 . 1 . . . . 39 LYS HB3 . 7057 1 346 . 1 1 39 39 LYS HG2 H 1 1.212 0.04 . 1 . . . . 39 LYS HG2 . 7057 1 347 . 1 1 39 39 LYS HG3 H 1 1.352 0.04 . 1 . . . . 39 LYS HG3 . 7057 1 348 . 1 1 39 39 LYS HD2 H 1 1.652 0.04 . 1 . . . . 39 LYS HD2 . 7057 1 349 . 1 1 39 39 LYS C C 13 178.3 0.4 . 1 . . . . 39 LYS C . 7057 1 350 . 1 1 39 39 LYS CA C 13 60.793 0.4 . 1 . . . . 39 LYS CA . 7057 1 351 . 1 1 39 39 LYS CB C 13 31.787 0.4 . 1 . . . . 39 LYS CB . 7057 1 352 . 1 1 39 39 LYS N N 15 123.873 0.4 . 1 . . . . 39 LYS N . 7057 1 353 . 1 1 40 40 GLU H H 1 9.629 0.04 . 1 . . . . 40 GLU H . 7057 1 354 . 1 1 40 40 GLU HA H 1 3.901 0.04 . 1 . . . . 40 GLU HA . 7057 1 355 . 1 1 40 40 GLU HB2 H 1 1.96 0.04 . 1 . . . . 40 GLU HB2 . 7057 1 356 . 1 1 40 40 GLU HB3 H 1 1.96 0.04 . 1 . . . . 40 GLU HB3 . 7057 1 357 . 1 1 40 40 GLU HG2 H 1 2.217 0.04 . 1 . . . . 40 GLU HG2 . 7057 1 358 . 1 1 40 40 GLU HG3 H 1 2.404 0.04 . 1 . . . . 40 GLU HG3 . 7057 1 359 . 1 1 40 40 GLU C C 13 178.1 0.4 . 1 . . . . 40 GLU C . 7057 1 360 . 1 1 40 40 GLU CA C 13 59.914 0.4 . 1 . . . . 40 GLU CA . 7057 1 361 . 1 1 40 40 GLU CB C 13 28.564 0.4 . 1 . . . . 40 GLU CB . 7057 1 362 . 1 1 40 40 GLU N N 15 116.06 0.4 . 1 . . . . 40 GLU N . 7057 1 363 . 1 1 41 41 ASP H H 1 7.396 0.04 . 1 . . . . 41 ASP H . 7057 1 364 . 1 1 41 41 ASP HA H 1 4.532 0.04 . 1 . . . . 41 ASP HA . 7057 1 365 . 1 1 41 41 ASP HB2 H 1 2.708 0.04 . 1 . . . . 41 ASP HB2 . 7057 1 366 . 1 1 41 41 ASP HB3 H 1 3.176 0.04 . 1 . . . . 41 ASP HB3 . 7057 1 367 . 1 1 41 41 ASP C C 13 179.2 0.4 . 1 . . . . 41 ASP C . 7057 1 368 . 1 1 41 41 ASP CA C 13 56.984 0.4 . 1 . . . . 41 ASP CA . 7057 1 369 . 1 1 41 41 ASP CB C 13 40.577 0.4 . 1 . . . . 41 ASP CB . 7057 1 370 . 1 1 41 41 ASP N N 15 118.247 0.4 . 1 . . . . 41 ASP N . 7057 1 371 . 1 1 42 42 ILE H H 1 7.396 0.04 . 1 . . . . 42 ILE H . 7057 1 372 . 1 1 42 42 ILE HA H 1 3.69 0.04 . 1 . . . . 42 ILE HA . 7057 1 373 . 1 1 42 42 ILE HB H 1 2.404 0.04 . 1 . . . . 42 ILE HB . 7057 1 374 . 1 1 42 42 ILE HG12 H 1 1.34 0.04 . 1 . . . . 42 ILE HG12 . 7057 1 375 . 1 1 42 42 ILE HG13 H 1 1.504 0.04 . 1 . . . . 42 ILE HG13 . 7057 1 376 . 1 1 42 42 ILE HG21 H 1 0.756 0.04 . 2 . . . . 42 ILE HG2 . 7057 1 377 . 1 1 42 42 ILE HG22 H 1 0.756 0.04 . 2 . . . . 42 ILE HG2 . 7057 1 378 . 1 1 42 42 ILE HG23 H 1 0.756 0.04 . 2 . . . . 42 ILE HG2 . 7057 1 379 . 1 1 42 42 ILE HD11 H 1 0.604 0.04 . 2 . . . . 42 ILE HD1 . 7057 1 380 . 1 1 42 42 ILE HD12 H 1 0.604 0.04 . 2 . . . . 42 ILE HD1 . 7057 1 381 . 1 1 42 42 ILE HD13 H 1 0.604 0.04 . 2 . . . . 42 ILE HD1 . 7057 1 382 . 1 1 42 42 ILE C C 13 177.1 0.4 . 1 . . . . 42 ILE C . 7057 1 383 . 1 1 42 42 ILE CA C 13 62.258 0.4 . 1 . . . . 42 ILE CA . 7057 1 384 . 1 1 42 42 ILE CB C 13 35.303 0.4 . 1 . . . . 42 ILE CB . 7057 1 385 . 1 1 42 42 ILE CG2 C 13 17.137 0.4 . 1 . . . . 42 ILE CG2 . 7057 1 386 . 1 1 42 42 ILE CD1 C 13 10.984 0.4 . 1 . . . . 42 ILE CD1 . 7057 1 387 . 1 1 42 42 ILE N N 15 119.81 0.4 . 1 . . . . 42 ILE N . 7057 1 388 . 1 1 43 43 LEU H H 1 8.121 0.04 . 1 . . . . 43 LEU H . 7057 1 389 . 1 1 43 43 LEU HA H 1 4.064 0.04 . 1 . . . . 43 LEU HA . 7057 1 390 . 1 1 43 43 LEU HB2 H 1 1.563 0.04 . 1 . . . . 43 LEU HB2 . 7057 1 391 . 1 1 43 43 LEU HB3 H 1 1.773 0.04 . 1 . . . . 43 LEU HB3 . 7057 1 392 . 1 1 43 43 LEU HD11 H 1 0.838 0.04 . 2 . . . . 43 LEU HD1 . 7057 1 393 . 1 1 43 43 LEU HD12 H 1 0.838 0.04 . 2 . . . . 43 LEU HD1 . 7057 1 394 . 1 1 43 43 LEU HD13 H 1 0.838 0.04 . 2 . . . . 43 LEU HD1 . 7057 1 395 . 1 1 43 43 LEU HD21 H 1 0.873 0.04 . 2 . . . . 43 LEU HD2 . 7057 1 396 . 1 1 43 43 LEU HD22 H 1 0.873 0.04 . 2 . . . . 43 LEU HD2 . 7057 1 397 . 1 1 43 43 LEU HD23 H 1 0.873 0.04 . 2 . . . . 43 LEU HD2 . 7057 1 398 . 1 1 43 43 LEU C C 13 180.5 0.4 . 1 . . . . 43 LEU C . 7057 1 399 . 1 1 43 43 LEU CA C 13 57.863 0.4 . 1 . . . . 43 LEU CA . 7057 1 400 . 1 1 43 43 LEU CB C 13 40.284 0.4 . 1 . . . . 43 LEU CB . 7057 1 401 . 1 1 43 43 LEU N N 15 118.56 0.4 . 1 . . . . 43 LEU N . 7057 1 402 . 1 1 44 44 ASN H H 1 8.425 0.04 . 1 . . . . 44 ASN H . 7057 1 403 . 1 1 44 44 ASN HA H 1 4.532 0.04 . 1 . . . . 44 ASN HA . 7057 1 404 . 1 1 44 44 ASN HB2 H 1 2.848 0.04 . 1 . . . . 44 ASN HB2 . 7057 1 405 . 1 1 44 44 ASN HB3 H 1 2.965 0.04 . 1 . . . . 44 ASN HB3 . 7057 1 406 . 1 1 44 44 ASN HD21 H 1 6.987 0.04 . 1 . . . . 44 ASN HD21 . 7057 1 407 . 1 1 44 44 ASN HD22 H 1 7.793 0.04 . 1 . . . . 44 ASN HD22 . 7057 1 408 . 1 1 44 44 ASN C C 13 177 0.4 . 1 . . . . 44 ASN C . 7057 1 409 . 1 1 44 44 ASN CA C 13 55.519 0.4 . 1 . . . . 44 ASN CA . 7057 1 410 . 1 1 44 44 ASN CB C 13 38.233 0.4 . 1 . . . . 44 ASN CB . 7057 1 411 . 1 1 44 44 ASN CG C 13 175.834 0.4 . 1 . . . . 44 ASN CG . 7057 1 412 . 1 1 44 44 ASN N N 15 117.622 0.4 . 1 . . . . 44 ASN N . 7057 1 413 . 1 1 44 44 ASN ND2 N 15 112.622 0.4 . 1 . . . . 44 ASN ND2 . 7057 1 414 . 1 1 45 45 TYR H H 1 7.793 0.04 . 1 . . . . 45 TYR H . 7057 1 415 . 1 1 45 45 TYR HA H 1 4.158 0.04 . 1 . . . . 45 TYR HA . 7057 1 416 . 1 1 45 45 TYR HB2 H 1 3.199 0.04 . 1 . . . . 45 TYR HB2 . 7057 1 417 . 1 1 45 45 TYR HB3 H 1 3.281 0.04 . 1 . . . . 45 TYR HB3 . 7057 1 418 . 1 1 45 45 TYR HD1 H 1 7.041 0.04 . 1 . . . . 45 TYR HD1 . 7057 1 419 . 1 1 45 45 TYR HD2 H 1 7.041 0.04 . 1 . . . . 45 TYR HD2 . 7057 1 420 . 1 1 45 45 TYR HE1 H 1 6.829 0.04 . 1 . . . . 45 TYR HE1 . 7057 1 421 . 1 1 45 45 TYR HE2 H 1 6.829 0.04 . 1 . . . . 45 TYR HE2 . 7057 1 422 . 1 1 45 45 TYR C C 13 177.9 0.4 . 1 . . . . 45 TYR C . 7057 1 423 . 1 1 45 45 TYR CA C 13 61.379 0.4 . 1 . . . . 45 TYR CA . 7057 1 424 . 1 1 45 45 TYR CB C 13 38.233 0.4 . 1 . . . . 45 TYR CB . 7057 1 425 . 1 1 45 45 TYR N N 15 121.998 0.4 . 1 . . . . 45 TYR N . 7057 1 426 . 1 1 46 46 LEU H H 1 8.319 0.04 . 1 . . . . 46 LEU H . 7057 1 427 . 1 1 46 46 LEU HA H 1 4.017 0.04 . 1 . . . . 46 LEU HA . 7057 1 428 . 1 1 46 46 LEU HB2 H 1 1.679 0.04 . 1 . . . . 46 LEU HB2 . 7057 1 429 . 1 1 46 46 LEU HB3 H 1 1.866 0.04 . 1 . . . . 46 LEU HB3 . 7057 1 430 . 1 1 46 46 LEU HG H 1 1.491 0.04 . 1 . . . . 46 LEU HG . 7057 1 431 . 1 1 46 46 LEU HD11 H 1 0.861 0.04 . 1 . . . . 46 LEU HD1 . 7057 1 432 . 1 1 46 46 LEU HD12 H 1 0.861 0.04 . 1 . . . . 46 LEU HD1 . 7057 1 433 . 1 1 46 46 LEU HD13 H 1 0.861 0.04 . 1 . . . . 46 LEU HD1 . 7057 1 434 . 1 1 46 46 LEU HD21 H 1 0.931 0.04 . 1 . . . . 46 LEU HD2 . 7057 1 435 . 1 1 46 46 LEU HD22 H 1 0.931 0.04 . 1 . . . . 46 LEU HD2 . 7057 1 436 . 1 1 46 46 LEU HD23 H 1 0.931 0.04 . 1 . . . . 46 LEU HD2 . 7057 1 437 . 1 1 46 46 LEU C C 13 179.2 0.4 . 1 . . . . 46 LEU C . 7057 1 438 . 1 1 46 46 LEU CA C 13 56.984 0.4 . 1 . . . . 46 LEU CA . 7057 1 439 . 1 1 46 46 LEU CB C 13 42.042 0.4 . 1 . . . . 46 LEU CB . 7057 1 440 . 1 1 46 46 LEU N N 15 119.185 0.4 . 1 . . . . 46 LEU N . 7057 1 441 . 1 1 47 47 GLU H H 1 7.969 0.04 . 1 . . . . 47 GLU H . 7057 1 442 . 1 1 47 47 GLU HA H 1 4.064 0.04 . 1 . . . . 47 GLU HA . 7057 1 443 . 1 1 47 47 GLU HB2 H 1 2.147 0.04 . 1 . . . . 47 GLU HB2 . 7057 1 444 . 1 1 47 47 GLU HB3 H 1 2.147 0.04 . 1 . . . . 47 GLU HB3 . 7057 1 445 . 1 1 47 47 GLU HG2 H 1 2.381 0.04 . 1 . . . . 47 GLU HG2 . 7057 1 446 . 1 1 47 47 GLU HG3 H 1 2.381 0.04 . 1 . . . . 47 GLU HG3 . 7057 1 447 . 1 1 47 47 GLU C C 13 178.1 0.4 . 1 . . . . 47 GLU C . 7057 1 448 . 1 1 47 47 GLU CA C 13 58.742 0.4 . 1 . . . . 47 GLU CA . 7057 1 449 . 1 1 47 47 GLU CB C 13 29.443 0.4 . 1 . . . . 47 GLU CB . 7057 1 450 . 1 1 47 47 GLU N N 15 119.497 0.4 . 1 . . . . 47 GLU N . 7057 1 451 . 1 1 48 48 LYS H H 1 7.758 0.04 . 1 . . . . 48 LYS H . 7057 1 452 . 1 1 48 48 LYS HA H 1 4.064 0.04 . 1 . . . . 48 LYS HA . 7057 1 453 . 1 1 48 48 LYS HB2 H 1 1.82 0.04 . 1 . . . . 48 LYS HB2 . 7057 1 454 . 1 1 48 48 LYS HB3 H 1 1.82 0.04 . 1 . . . . 48 LYS HB3 . 7057 1 455 . 1 1 48 48 LYS HG2 H 1 1.422 0.04 . 1 . . . . 48 LYS HG2 . 7057 1 456 . 1 1 48 48 LYS HG3 H 1 1.492 0.04 . 1 . . . . 48 LYS HG3 . 7057 1 457 . 1 1 48 48 LYS HE2 H 1 2.965 0.04 . 1 . . . . 48 LYS HE2 . 7057 1 458 . 1 1 48 48 LYS HE3 H 1 2.965 0.04 . 1 . . . . 48 LYS HE3 . 7057 1 459 . 1 1 48 48 LYS C C 13 177.9 0.4 . 1 . . . . 48 LYS C . 7057 1 460 . 1 1 48 48 LYS CA C 13 57.57 0.4 . 1 . . . . 48 LYS CA . 7057 1 461 . 1 1 48 48 LYS CB C 13 32.08 0.4 . 1 . . . . 48 LYS CB . 7057 1 462 . 1 1 48 48 LYS N N 15 118.56 0.4 . 1 . . . . 48 LYS N . 7057 1 463 . 1 1 49 49 GLN H H 1 7.875 0.04 . 1 . . . . 49 GLN H . 7057 1 464 . 1 1 49 49 GLN HA H 1 4.064 0.04 . 1 . . . . 49 GLN HA . 7057 1 465 . 1 1 49 49 GLN HB2 H 1 1.983 0.04 . 1 . . . . 49 GLN HB2 . 7057 1 466 . 1 1 49 49 GLN HB3 H 1 2.17 0.04 . 1 . . . . 49 GLN HB3 . 7057 1 467 . 1 1 49 49 GLN HE21 H 1 6.8 0.04 . 1 . . . . 49 GLN HE21 . 7057 1 468 . 1 1 49 49 GLN HE22 H 1 7.127 0.04 . 1 . . . . 49 GLN HE22 . 7057 1 469 . 1 1 49 49 GLN C C 13 177.1 0.4 . 1 . . . . 49 GLN C . 7057 1 470 . 1 1 49 49 GLN CA C 13 56.398 0.4 . 1 . . . . 49 GLN CA . 7057 1 471 . 1 1 49 49 GLN CB C 13 28.564 0.4 . 1 . . . . 49 GLN CB . 7057 1 472 . 1 1 49 49 GLN CD C 13 179.683 0.4 . 1 . . . . 49 GLN CD . 7057 1 473 . 1 1 49 49 GLN N N 15 117.622 0.4 . 1 . . . . 49 GLN N . 7057 1 474 . 1 1 49 49 GLN NE2 N 15 111.684 0.4 . 1 . . . . 49 GLN NE2 . 7057 1 475 . 1 1 50 50 THR H H 1 7.922 0.04 . 1 . . . . 50 THR H . 7057 1 476 . 1 1 50 50 THR HA H 1 4.205 0.04 . 1 . . . . 50 THR HA . 7057 1 477 . 1 1 50 50 THR HB H 1 4.275 0.04 . 1 . . . . 50 THR HB . 7057 1 478 . 1 1 50 50 THR HG21 H 1 1.235 0.04 . 1 . . . . 50 THR HG2 . 7057 1 479 . 1 1 50 50 THR HG22 H 1 1.235 0.04 . 1 . . . . 50 THR HG2 . 7057 1 480 . 1 1 50 50 THR HG23 H 1 1.235 0.04 . 1 . . . . 50 THR HG2 . 7057 1 481 . 1 1 50 50 THR C C 13 175.1 0.4 . 1 . . . . 50 THR C . 7057 1 482 . 1 1 50 50 THR CA C 13 63.137 0.4 . 1 . . . . 50 THR CA . 7057 1 483 . 1 1 50 50 THR CB C 13 68.997 0.4 . 1 . . . . 50 THR CB . 7057 1 484 . 1 1 50 50 THR N N 15 113.559 0.4 . 1 . . . . 50 THR N . 7057 1 485 . 1 1 51 51 LEU H H 1 7.945 0.04 . 1 . . . . 51 LEU H . 7057 1 486 . 1 1 51 51 LEU HA H 1 4.228 0.04 . 1 . . . . 51 LEU HA . 7057 1 487 . 1 1 51 51 LEU HB2 H 1 1.539 0.04 . 1 . . . . 51 LEU HB2 . 7057 1 488 . 1 1 51 51 LEU HB3 H 1 1.679 0.04 . 1 . . . . 51 LEU HB3 . 7057 1 489 . 1 1 51 51 LEU HG H 1 1.321 0.04 . 1 . . . . 51 LEU HG . 7057 1 490 . 1 1 51 51 LEU HD11 H 1 0.826 0.04 . 1 . . . . 51 LEU HD1 . 7057 1 491 . 1 1 51 51 LEU HD12 H 1 0.826 0.04 . 1 . . . . 51 LEU HD1 . 7057 1 492 . 1 1 51 51 LEU HD13 H 1 0.826 0.04 . 1 . . . . 51 LEU HD1 . 7057 1 493 . 1 1 51 51 LEU HD21 H 1 0.884 0.04 . 1 . . . . 51 LEU HD2 . 7057 1 494 . 1 1 51 51 LEU HD22 H 1 0.884 0.04 . 1 . . . . 51 LEU HD2 . 7057 1 495 . 1 1 51 51 LEU HD23 H 1 0.884 0.04 . 1 . . . . 51 LEU HD2 . 7057 1 496 . 1 1 51 51 LEU C C 13 177.7 0.4 . 1 . . . . 51 LEU C . 7057 1 497 . 1 1 51 51 LEU CA C 13 55.519 0.4 . 1 . . . . 51 LEU CA . 7057 1 498 . 1 1 51 51 LEU CB C 13 42.042 0.4 . 1 . . . . 51 LEU CB . 7057 1 499 . 1 1 51 51 LEU N N 15 122.623 0.4 . 1 . . . . 51 LEU N . 7057 1 500 . 1 1 52 52 GLU H H 1 8.109 0.04 . 1 . . . . 52 GLU H . 7057 1 501 . 1 1 52 52 GLU HA H 1 4.111 0.04 . 1 . . . . 52 GLU HA . 7057 1 502 . 1 1 52 52 GLU HB2 H 1 1.78 0.04 . 1 . . . . 52 GLU HB2 . 7057 1 503 . 1 1 52 52 GLU HB3 H 1 1.89 0.04 . 1 . . . . 52 GLU HB3 . 7057 1 504 . 1 1 52 52 GLU HG2 H 1 2.124 0.04 . 1 . . . . 52 GLU HG2 . 7057 1 505 . 1 1 52 52 GLU HG3 H 1 2.205 0.04 . 1 . . . . 52 GLU HG3 . 7057 1 506 . 1 1 52 52 GLU C C 13 176.4 0.4 . 1 . . . . 52 GLU C . 7057 1 507 . 1 1 52 52 GLU CA C 13 56.5 0.4 . 1 . . . . 52 GLU CA . 7057 1 508 . 1 1 52 52 GLU CB C 13 29.736 0.4 . 1 . . . . 52 GLU CB . 7057 1 509 . 1 1 52 52 GLU N N 15 119.497 0.4 . 1 . . . . 52 GLU N . 7057 1 stop_ save_