data_19428 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19428 _Entry.Title ; A bacteriophage transcription regulator inhibits bacterial transcription initiation by -factor displacement ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-08-14 _Entry.Accession_date 2013-08-14 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Bing Liu . . . 19428 2 Andrey Shadrin . . . 19428 3 Carol Sheppard . . . 19428 4 Yingqi Xu . . . 19428 5 Konstantin Severinov . . . 19428 6 Steve Matthews . . . 19428 7 Sivaramesh Wigneshweraraj . . . 19428 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19428 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID p7 . 19428 RNAP . 19428 'sigma factor' . 19428 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19428 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 272 19428 '15N chemical shifts' 64 19428 '1H chemical shifts' 418 19428 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-05-02 2013-08-14 update BMRB 'update entry citation' 19428 1 . . 2014-02-12 2013-08-14 original author 'original release' 19428 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19429 'A bacteriophage transcription regulator complex with p7 peptide' 19428 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19428 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24482445 _Citation.Full_citation . _Citation.Title 'A bacteriophage transcription regulator inhibits bacterial transcription initiation by -factor displacement.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 42 _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 4294 _Citation.Page_last 4305 _Citation.Year 2014 _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 Bing Liu . . . 19428 1 2 Andrey Shadrin . . . 19428 1 3 Carol Sheppard . . . 19428 1 4 Vladimir Mekler . . . 19428 1 5 Yingqi Xu . . . 19428 1 6 Konstantin Severinov . . . 19428 1 7 Steve Matthews . . . 19428 1 8 Sivaramesh Wigneshweraraj . . . 19428 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19428 _Assembly.ID 1 _Assembly.Name entity _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . 19428 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19428 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MNEFTQISGYVNAFGSQRGS VLTVKVENDEGWTLVEEDFD RADYGSDPEFVAEVSSYLKR NGGIKDLTKVL ; _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 71 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8189.045 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 19429 . entity_1 . . . . . 94.37 67 100.00 100.00 1.03e-39 . . . . 19428 1 2 no PDB 2MC5 . "A Bacteriophage Transcription Regulator Inhibits Bacterial Transcription Initiation By -factor Displacement" . . . . . 100.00 73 100.00 100.00 7.23e-43 . . . . 19428 1 3 no PDB 2MC6 . "A Bacteriophage Transcription Regulator Inhibits Bacterial Transcription Initiation By Sigma-factor Displacement" . . . . . 100.00 73 100.00 100.00 7.23e-43 . . . . 19428 1 4 no GB AAM74072 . "RNA polymerase inhibitor p7 [Xanthomonas phage Xp10]" . . . . . 100.00 73 100.00 100.00 7.23e-43 . . . . 19428 1 5 no GB AAP58713 . "45L [Xanthomonas phage Xp10]" . . . . . 100.00 73 100.00 100.00 7.23e-43 . . . . 19428 1 6 no REF NP_858993 . "7K protein; inhibitor of transcription initiation and antiterminator [Xanthomonas phage Xp10]" . . . . . 100.00 73 100.00 100.00 7.23e-43 . . . . 19428 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 . 19428 1 2 . ASN . 19428 1 3 . GLU . 19428 1 4 . PHE . 19428 1 5 . THR . 19428 1 6 . GLN . 19428 1 7 . ILE . 19428 1 8 . SER . 19428 1 9 . GLY . 19428 1 10 . TYR . 19428 1 11 . VAL . 19428 1 12 . ASN . 19428 1 13 . ALA . 19428 1 14 . PHE . 19428 1 15 . GLY . 19428 1 16 . SER . 19428 1 17 . GLN . 19428 1 18 . ARG . 19428 1 19 . GLY . 19428 1 20 . SER . 19428 1 21 . VAL . 19428 1 22 . LEU . 19428 1 23 . THR . 19428 1 24 . VAL . 19428 1 25 . LYS . 19428 1 26 . VAL . 19428 1 27 . GLU . 19428 1 28 . ASN . 19428 1 29 . ASP . 19428 1 30 . GLU . 19428 1 31 . GLY . 19428 1 32 . TRP . 19428 1 33 . THR . 19428 1 34 . LEU . 19428 1 35 . VAL . 19428 1 36 . GLU . 19428 1 37 . GLU . 19428 1 38 . ASP . 19428 1 39 . PHE . 19428 1 40 . ASP . 19428 1 41 . ARG . 19428 1 42 . ALA . 19428 1 43 . ASP . 19428 1 44 . TYR . 19428 1 45 . GLY . 19428 1 46 . SER . 19428 1 47 . ASP . 19428 1 48 . PRO . 19428 1 49 . GLU . 19428 1 50 . PHE . 19428 1 51 . VAL . 19428 1 52 . ALA . 19428 1 53 . GLU . 19428 1 54 . VAL . 19428 1 55 . SER . 19428 1 56 . SER . 19428 1 57 . TYR . 19428 1 58 . LEU . 19428 1 59 . LYS . 19428 1 60 . ARG . 19428 1 61 . ASN . 19428 1 62 . GLY . 19428 1 63 . GLY . 19428 1 64 . ILE . 19428 1 65 . LYS . 19428 1 66 . ASP . 19428 1 67 . LEU . 19428 1 68 . THR . 19428 1 69 . LYS . 19428 1 70 . VAL . 19428 1 71 . LEU . 19428 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 19428 1 . ASN 2 2 19428 1 . GLU 3 3 19428 1 . PHE 4 4 19428 1 . THR 5 5 19428 1 . GLN 6 6 19428 1 . ILE 7 7 19428 1 . SER 8 8 19428 1 . GLY 9 9 19428 1 . TYR 10 10 19428 1 . VAL 11 11 19428 1 . ASN 12 12 19428 1 . ALA 13 13 19428 1 . PHE 14 14 19428 1 . GLY 15 15 19428 1 . SER 16 16 19428 1 . GLN 17 17 19428 1 . ARG 18 18 19428 1 . GLY 19 19 19428 1 . SER 20 20 19428 1 . VAL 21 21 19428 1 . LEU 22 22 19428 1 . THR 23 23 19428 1 . VAL 24 24 19428 1 . LYS 25 25 19428 1 . VAL 26 26 19428 1 . GLU 27 27 19428 1 . ASN 28 28 19428 1 . ASP 29 29 19428 1 . GLU 30 30 19428 1 . GLY 31 31 19428 1 . TRP 32 32 19428 1 . THR 33 33 19428 1 . LEU 34 34 19428 1 . VAL 35 35 19428 1 . GLU 36 36 19428 1 . GLU 37 37 19428 1 . ASP 38 38 19428 1 . PHE 39 39 19428 1 . ASP 40 40 19428 1 . ARG 41 41 19428 1 . ALA 42 42 19428 1 . ASP 43 43 19428 1 . TYR 44 44 19428 1 . GLY 45 45 19428 1 . SER 46 46 19428 1 . ASP 47 47 19428 1 . PRO 48 48 19428 1 . GLU 49 49 19428 1 . PHE 50 50 19428 1 . VAL 51 51 19428 1 . ALA 52 52 19428 1 . GLU 53 53 19428 1 . VAL 54 54 19428 1 . SER 55 55 19428 1 . SER 56 56 19428 1 . TYR 57 57 19428 1 . LEU 58 58 19428 1 . LYS 59 59 19428 1 . ARG 60 60 19428 1 . ASN 61 61 19428 1 . GLY 62 62 19428 1 . GLY 63 63 19428 1 . ILE 64 64 19428 1 . LYS 65 65 19428 1 . ASP 66 66 19428 1 . LEU 67 67 19428 1 . THR 68 68 19428 1 . LYS 69 69 19428 1 . VAL 70 70 19428 1 . LEU 71 71 19428 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 19428 _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 $entity . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli Bl21(DE3) . . . . . . . . . . . . . . . . . . . . 19428 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 19428 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pet46 . . . . . . 19428 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19428 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity 'natural abundance' . . 1 $entity . . 5 . . mM . . . . 19428 1 2 'sodium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 19428 1 3 'potassium phosphate' 'natural abundance' . . . . . . 5 . . mM . . . . 19428 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19428 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19428 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19428 _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' 10 . mM 19428 1 pH 8.7 . pH 19428 1 pressure 1 . atm 19428 1 temperature 283 . K 19428 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 19428 _Software.ID 1 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 19428 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19428 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19428 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19428 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19428 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 800 . . . 19428 1 2 spectrometer_2 Bruker DRX . 600 . . . 19428 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 19428 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19428 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19428 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19428 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19428 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19428 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19428 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19428 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19428 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19428 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19428 _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 H 1 water protons . . . . ppm 4.8 internal direct 1.0 . . . . . . . . . 19428 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19428 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-13C NOESY' . . . 19428 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ASN HA H 1 4.632 . . . . . . A 2 ASN HA . 19428 1 2 . 1 1 2 2 ASN HB2 H 1 2.656 . . . . . . A 2 ASN HB2 . 19428 1 3 . 1 1 2 2 ASN HB3 H 1 2.656 . . . . . . A 2 ASN HB3 . 19428 1 4 . 1 1 2 2 ASN HD21 H 1 6.980 . . . . . . A 2 ASN HD21 . 19428 1 5 . 1 1 2 2 ASN HD22 H 1 6.980 . . . . . . A 2 ASN HD22 . 19428 1 6 . 1 1 2 2 ASN CA C 13 53.100 . . . . . . A 2 ASN CA . 19428 1 7 . 1 1 2 2 ASN CB C 13 38.879 . . . . . . A 2 ASN CB . 19428 1 8 . 1 1 2 2 ASN ND2 N 15 113.356 . . . . . . A 2 ASN ND2 . 19428 1 9 . 1 1 3 3 GLU H H 1 8.405 . . . . . . A 3 GLU H . 19428 1 10 . 1 1 3 3 GLU HA H 1 4.329 . . . . . . A 3 GLU HA . 19428 1 11 . 1 1 3 3 GLU HB2 H 1 1.920 . . . . . . A 3 GLU HB2 . 19428 1 12 . 1 1 3 3 GLU HB3 H 1 2.034 . . . . . . A 3 GLU HB3 . 19428 1 13 . 1 1 3 3 GLU HG2 H 1 2.163 . . . . . . A 3 GLU HG2 . 19428 1 14 . 1 1 3 3 GLU HG3 H 1 2.159 . . . . . . A 3 GLU HG3 . 19428 1 15 . 1 1 3 3 GLU C C 13 176.134 . . . . . . A 3 GLU C . 19428 1 16 . 1 1 3 3 GLU CA C 13 56.422 . . . . . . A 3 GLU CA . 19428 1 17 . 1 1 3 3 GLU CB C 13 30.564 . . . . . . A 3 GLU CB . 19428 1 18 . 1 1 3 3 GLU CG C 13 36.399 . . . . . . A 3 GLU CG . 19428 1 19 . 1 1 3 3 GLU N N 15 122.003 . . . . . . A 3 GLU N . 19428 1 20 . 1 1 4 4 PHE H H 1 8.870 . . . . . . A 4 PHE H . 19428 1 21 . 1 1 4 4 PHE HA H 1 4.785 . . . . . . A 4 PHE HA . 19428 1 22 . 1 1 4 4 PHE HB2 H 1 2.761 . . . . . . A 4 PHE HB2 . 19428 1 23 . 1 1 4 4 PHE HB3 H 1 2.972 . . . . . . A 4 PHE HB3 . 19428 1 24 . 1 1 4 4 PHE HD1 H 1 7.051 . . . . . . A 4 PHE HD1 . 19428 1 25 . 1 1 4 4 PHE HD2 H 1 7.051 . . . . . . A 4 PHE HD2 . 19428 1 26 . 1 1 4 4 PHE HE1 H 1 7.255 . . . . . . A 4 PHE HE1 . 19428 1 27 . 1 1 4 4 PHE HE2 H 1 7.255 . . . . . . A 4 PHE HE2 . 19428 1 28 . 1 1 4 4 PHE C C 13 176.658 . . . . . . A 4 PHE C . 19428 1 29 . 1 1 4 4 PHE CA C 13 58.241 . . . . . . A 4 PHE CA . 19428 1 30 . 1 1 4 4 PHE CB C 13 41.041 . . . . . . A 4 PHE CB . 19428 1 31 . 1 1 4 4 PHE CD1 C 13 131.385 . . . . . . A 4 PHE CD1 . 19428 1 32 . 1 1 4 4 PHE CD2 C 13 131.385 . . . . . . A 4 PHE CD2 . 19428 1 33 . 1 1 4 4 PHE N N 15 121.984 . . . . . . A 4 PHE N . 19428 1 34 . 1 1 5 5 THR H H 1 9.235 . . . . . . A 5 THR H . 19428 1 35 . 1 1 5 5 THR HA H 1 4.832 . . . . . . A 5 THR HA . 19428 1 36 . 1 1 5 5 THR HB H 1 4.215 . . . . . . A 5 THR HB . 19428 1 37 . 1 1 5 5 THR HG21 H 1 1.344 . . . . . . A 5 THR HG21 . 19428 1 38 . 1 1 5 5 THR HG22 H 1 1.344 . . . . . . A 5 THR HG22 . 19428 1 39 . 1 1 5 5 THR HG23 H 1 1.344 . . . . . . A 5 THR HG23 . 19428 1 40 . 1 1 5 5 THR C C 13 174.169 . . . . . . A 5 THR C . 19428 1 41 . 1 1 5 5 THR CA C 13 60.351 . . . . . . A 5 THR CA . 19428 1 42 . 1 1 5 5 THR CB C 13 71.773 . . . . . . A 5 THR CB . 19428 1 43 . 1 1 5 5 THR CG2 C 13 21.426 . . . . . . A 5 THR CG2 . 19428 1 44 . 1 1 5 5 THR N N 15 115.105 . . . . . . A 5 THR N . 19428 1 45 . 1 1 6 6 GLN H H 1 9.302 . . . . . . A 6 GLN H . 19428 1 46 . 1 1 6 6 GLN HA H 1 3.851 . . . . . . A 6 GLN HA . 19428 1 47 . 1 1 6 6 GLN HB2 H 1 1.968 . . . . . . A 6 GLN HB2 . 19428 1 48 . 1 1 6 6 GLN HB3 H 1 1.968 . . . . . . A 6 GLN HB3 . 19428 1 49 . 1 1 6 6 GLN HG2 H 1 1.853 . . . . . . A 6 GLN HG2 . 19428 1 50 . 1 1 6 6 GLN HG3 H 1 2.194 . . . . . . A 6 GLN HG3 . 19428 1 51 . 1 1 6 6 GLN C C 13 176.340 . . . . . . A 6 GLN C . 19428 1 52 . 1 1 6 6 GLN CA C 13 57.421 . . . . . . A 6 GLN CA . 19428 1 53 . 1 1 6 6 GLN CB C 13 29.483 . . . . . . A 6 GLN CB . 19428 1 54 . 1 1 6 6 GLN CG C 13 33.487 . . . . . . A 6 GLN CG . 19428 1 55 . 1 1 6 6 GLN N N 15 127.493 . . . . . . A 6 GLN N . 19428 1 56 . 1 1 7 7 ILE H H 1 8.430 . . . . . . A 7 ILE H . 19428 1 57 . 1 1 7 7 ILE HA H 1 3.898 . . . . . . A 7 ILE HA . 19428 1 58 . 1 1 7 7 ILE HB H 1 1.344 . . . . . . A 7 ILE HB . 19428 1 59 . 1 1 7 7 ILE HG12 H 1 1.031 . . . . . . A 7 ILE HG12 . 19428 1 60 . 1 1 7 7 ILE HG13 H 1 1.034 . . . . . . A 7 ILE HG13 . 19428 1 61 . 1 1 7 7 ILE HG21 H 1 0.841 . . . . . . A 7 ILE HG21 . 19428 1 62 . 1 1 7 7 ILE HG22 H 1 0.841 . . . . . . A 7 ILE HG22 . 19428 1 63 . 1 1 7 7 ILE HG23 H 1 0.841 . . . . . . A 7 ILE HG23 . 19428 1 64 . 1 1 7 7 ILE HD11 H 1 0.577 . . . . . . A 7 ILE HD11 . 19428 1 65 . 1 1 7 7 ILE HD12 H 1 0.577 . . . . . . A 7 ILE HD12 . 19428 1 66 . 1 1 7 7 ILE HD13 H 1 0.577 . . . . . . A 7 ILE HD13 . 19428 1 67 . 1 1 7 7 ILE C C 13 175.573 . . . . . . A 7 ILE C . 19428 1 68 . 1 1 7 7 ILE CA C 13 61.448 . . . . . . A 7 ILE CA . 19428 1 69 . 1 1 7 7 ILE CB C 13 37.127 . . . . . . A 7 ILE CB . 19428 1 70 . 1 1 7 7 ILE CG1 C 13 27.936 . . . . . . A 7 ILE CG1 . 19428 1 71 . 1 1 7 7 ILE CG2 C 13 16.833 . . . . . . A 7 ILE CG2 . 19428 1 72 . 1 1 7 7 ILE CD1 C 13 12.738 . . . . . . A 7 ILE CD1 . 19428 1 73 . 1 1 7 7 ILE N N 15 129.800 . . . . . . A 7 ILE N . 19428 1 74 . 1 1 8 8 SER H H 1 8.591 . . . . . . A 8 SER H . 19428 1 75 . 1 1 8 8 SER HA H 1 4.140 . . . . . . A 8 SER HA . 19428 1 76 . 1 1 8 8 SER HB2 H 1 3.813 . . . . . . A 8 SER HB2 . 19428 1 77 . 1 1 8 8 SER HB3 H 1 3.889 . . . . . . A 8 SER HB3 . 19428 1 78 . 1 1 8 8 SER C C 13 157.753 . . . . . . A 8 SER C . 19428 1 79 . 1 1 8 8 SER CA C 13 60.077 . . . . . . A 8 SER CA . 19428 1 80 . 1 1 8 8 SER CB C 13 62.818 . . . . . . A 8 SER CB . 19428 1 81 . 1 1 8 8 SER N N 15 122.499 . . . . . . A 8 SER N . 19428 1 82 . 1 1 9 9 GLY H H 1 8.877 . . . . . . A 9 GLY H . 19428 1 83 . 1 1 9 9 GLY HA2 H 1 3.514 . . . . . . A 9 GLY HA2 . 19428 1 84 . 1 1 9 9 GLY HA3 H 1 4.230 . . . . . . A 9 GLY HA3 . 19428 1 85 . 1 1 9 9 GLY C C 13 174.450 . . . . . . A 9 GLY C . 19428 1 86 . 1 1 9 9 GLY CA C 13 44.681 . . . . . . A 9 GLY CA . 19428 1 87 . 1 1 9 9 GLY N N 15 113.736 . . . . . . A 9 GLY N . 19428 1 88 . 1 1 10 10 TYR HA H 1 5.139 . . . . . . A 10 TYR HA . 19428 1 89 . 1 1 10 10 TYR HB2 H 1 2.796 . . . . . . A 10 TYR HB2 . 19428 1 90 . 1 1 10 10 TYR HB3 H 1 2.924 . . . . . . A 10 TYR HB3 . 19428 1 91 . 1 1 10 10 TYR HD1 H 1 6.711 . . . . . . A 10 TYR HD1 . 19428 1 92 . 1 1 10 10 TYR HD2 H 1 6.728 . . . . . . A 10 TYR HD2 . 19428 1 93 . 1 1 10 10 TYR HE1 H 1 6.500 . . . . . . A 10 TYR HE1 . 19428 1 94 . 1 1 10 10 TYR HE2 H 1 6.500 . . . . . . A 10 TYR HE2 . 19428 1 95 . 1 1 10 10 TYR CA C 13 57.603 . . . . . . A 10 TYR CA . 19428 1 96 . 1 1 10 10 TYR CB C 13 42.861 . . . . . . A 10 TYR CB . 19428 1 97 . 1 1 10 10 TYR CD1 C 13 133.025 . . . . . . A 10 TYR CD1 . 19428 1 98 . 1 1 10 10 TYR CD2 C 13 133.025 . . . . . . A 10 TYR CD2 . 19428 1 99 . 1 1 10 10 TYR CE1 C 13 177.717 . . . . . . A 10 TYR CE1 . 19428 1 100 . 1 1 10 10 TYR CE2 C 13 117.717 . . . . . . A 10 TYR CE2 . 19428 1 101 . 1 1 11 11 VAL H H 1 8.749 . . . . . . A 11 VAL H . 19428 1 102 . 1 1 11 11 VAL HA H 1 4.139 . . . . . . A 11 VAL HA . 19428 1 103 . 1 1 11 11 VAL HB H 1 2.018 . . . . . . A 11 VAL HB . 19428 1 104 . 1 1 11 11 VAL HG11 H 1 0.897 . . . . . . A 11 VAL HG11 . 19428 1 105 . 1 1 11 11 VAL HG12 H 1 0.897 . . . . . . A 11 VAL HG12 . 19428 1 106 . 1 1 11 11 VAL HG13 H 1 0.897 . . . . . . A 11 VAL HG13 . 19428 1 107 . 1 1 11 11 VAL HG21 H 1 0.897 . . . . . . A 11 VAL HG21 . 19428 1 108 . 1 1 11 11 VAL HG22 H 1 0.897 . . . . . . A 11 VAL HG22 . 19428 1 109 . 1 1 11 11 VAL HG23 H 1 0.897 . . . . . . A 11 VAL HG23 . 19428 1 110 . 1 1 11 11 VAL C C 13 176.808 . . . . . . A 11 VAL C . 19428 1 111 . 1 1 11 11 VAL CA C 13 63.093 . . . . . . A 11 VAL CA . 19428 1 112 . 1 1 11 11 VAL CB C 13 33.214 . . . . . . A 11 VAL CB . 19428 1 113 . 1 1 11 11 VAL CG1 C 13 21.111 . . . . . . A 11 VAL CG1 . 19428 1 114 . 1 1 11 11 VAL CG2 C 13 20.656 . . . . . . A 11 VAL CG2 . 19428 1 115 . 1 1 11 11 VAL N N 15 115.114 . . . . . . A 11 VAL N . 19428 1 116 . 1 1 12 12 ASN H H 1 8.185 . . . . . . A 12 ASN H . 19428 1 117 . 1 1 12 12 ASN HA H 1 5.016 . . . . . . A 12 ASN HA . 19428 1 118 . 1 1 12 12 ASN HB2 H 1 2.649 . . . . . . A 12 ASN HB2 . 19428 1 119 . 1 1 12 12 ASN HB3 H 1 3.771 . . . . . . A 12 ASN HB3 . 19428 1 120 . 1 1 12 12 ASN C C 13 172.765 . . . . . . A 12 ASN C . 19428 1 121 . 1 1 12 12 ASN CA C 13 52.585 . . . . . . A 12 ASN CA . 19428 1 122 . 1 1 12 12 ASN CB C 13 38.648 . . . . . . A 12 ASN CB . 19428 1 123 . 1 1 12 12 ASN N N 15 116.716 . . . . . . A 12 ASN N . 19428 1 124 . 1 1 13 13 ALA H H 1 6.519 . . . . . . A 13 ALA H . 19428 1 125 . 1 1 13 13 ALA HA H 1 5.632 . . . . . . A 13 ALA HA . 19428 1 126 . 1 1 13 13 ALA HB1 H 1 0.897 . . . . . . A 13 ALA HB1 . 19428 1 127 . 1 1 13 13 ALA HB2 H 1 0.897 . . . . . . A 13 ALA HB2 . 19428 1 128 . 1 1 13 13 ALA HB3 H 1 0.897 . . . . . . A 13 ALA HB3 . 19428 1 129 . 1 1 13 13 ALA C C 13 175.067 . . . . . . A 13 ALA C . 19428 1 130 . 1 1 13 13 ALA CA C 13 49.456 . . . . . . A 13 ALA CA . 19428 1 131 . 1 1 13 13 ALA CB C 13 23.909 . . . . . . A 13 ALA CB . 19428 1 132 . 1 1 13 13 ALA N N 15 118.656 . . . . . . A 13 ALA N . 19428 1 133 . 1 1 14 14 PHE H H 1 9.170 . . . . . . A 14 PHE H . 19428 1 134 . 1 1 14 14 PHE HA H 1 5.103 . . . . . . A 14 PHE HA . 19428 1 135 . 1 1 14 14 PHE HB2 H 1 2.524 . . . . . . A 14 PHE HB2 . 19428 1 136 . 1 1 14 14 PHE HB3 H 1 2.964 . . . . . . A 14 PHE HB3 . 19428 1 137 . 1 1 14 14 PHE HD1 H 1 6.809 . . . . . . A 14 PHE HD1 . 19428 1 138 . 1 1 14 14 PHE HD2 H 1 6.809 . . . . . . A 14 PHE HD2 . 19428 1 139 . 1 1 14 14 PHE HE1 H 1 7.166 . . . . . . A 14 PHE HE1 . 19428 1 140 . 1 1 14 14 PHE HE2 H 1 7.166 . . . . . . A 14 PHE HE2 . 19428 1 141 . 1 1 14 14 PHE C C 13 173.800 . . . . . . A 14 PHE C . 19428 1 142 . 1 1 14 14 PHE CA C 13 56.580 . . . . . . A 14 PHE CA . 19428 1 143 . 1 1 14 14 PHE CB C 13 44.134 . . . . . . A 14 PHE CB . 19428 1 144 . 1 1 14 14 PHE CD1 C 13 131.385 . . . . . . A 14 PHE CD1 . 19428 1 145 . 1 1 14 14 PHE CD2 C 13 131.385 . . . . . . A 14 PHE CD2 . 19428 1 146 . 1 1 14 14 PHE CE1 C 13 131.385 . . . . . . A 14 PHE CE1 . 19428 1 147 . 1 1 14 14 PHE CE2 C 13 131.385 . . . . . . A 14 PHE CE2 . 19428 1 148 . 1 1 14 14 PHE N N 15 120.469 . . . . . . A 14 PHE N . 19428 1 149 . 1 1 15 15 GLY H H 1 9.592 . . . . . . A 15 GLY H . 19428 1 150 . 1 1 15 15 GLY HA2 H 1 3.651 . . . . . . A 15 GLY HA2 . 19428 1 151 . 1 1 15 15 GLY HA3 H 1 6.127 . . . . . . A 15 GLY HA3 . 19428 1 152 . 1 1 15 15 GLY C C 13 172.784 . . . . . . A 15 GLY C . 19428 1 153 . 1 1 15 15 GLY CA C 13 44.361 . . . . . . A 15 GLY CA . 19428 1 154 . 1 1 15 15 GLY N N 15 108.496 . . . . . . A 15 GLY N . 19428 1 155 . 1 1 16 16 SER H H 1 8.814 . . . . . . A 16 SER H . 19428 1 156 . 1 1 16 16 SER HA H 1 4.524 . . . . . . A 16 SER HA . 19428 1 157 . 1 1 16 16 SER HB2 H 1 2.019 . . . . . . A 16 SER HB2 . 19428 1 158 . 1 1 16 16 SER HB3 H 1 2.599 . . . . . . A 16 SER HB3 . 19428 1 159 . 1 1 16 16 SER C C 13 172.765 . . . . . . A 16 SER C . 19428 1 160 . 1 1 16 16 SER CA C 13 56.416 . . . . . . A 16 SER CA . 19428 1 161 . 1 1 16 16 SER CB C 13 63.792 . . . . . . A 16 SER CB . 19428 1 162 . 1 1 16 16 SER N N 15 117.566 . . . . . . A 16 SER N . 19428 1 163 . 1 1 17 17 GLN H H 1 8.902 . . . . . . A 17 GLN H . 19428 1 164 . 1 1 17 17 GLN HA H 1 5.010 . . . . . . A 17 GLN HA . 19428 1 165 . 1 1 17 17 GLN HB2 H 1 1.939 . . . . . . A 17 GLN HB2 . 19428 1 166 . 1 1 17 17 GLN HB3 H 1 2.038 . . . . . . A 17 GLN HB3 . 19428 1 167 . 1 1 17 17 GLN HG2 H 1 2.054 . . . . . . A 17 GLN HG2 . 19428 1 168 . 1 1 17 17 GLN HG3 H 1 2.274 . . . . . . A 17 GLN HG3 . 19428 1 169 . 1 1 17 17 GLN C C 13 175.011 . . . . . . A 17 GLN C . 19428 1 170 . 1 1 17 17 GLN CA C 13 54.533 . . . . . . A 17 GLN CA . 19428 1 171 . 1 1 17 17 GLN CB C 13 30.472 . . . . . . A 17 GLN CB . 19428 1 172 . 1 1 17 17 GLN CG C 13 33.214 . . . . . . A 17 GLN CG . 19428 1 173 . 1 1 17 17 GLN N N 15 130.272 . . . . . . A 17 GLN N . 19428 1 174 . 1 1 18 18 ARG H H 1 8.968 . . . . . . A 18 ARG H . 19428 1 175 . 1 1 18 18 ARG HA H 1 4.524 . . . . . . A 18 ARG HA . 19428 1 176 . 1 1 18 18 ARG HB2 H 1 1.701 . . . . . . A 18 ARG HB2 . 19428 1 177 . 1 1 18 18 ARG HB3 H 1 1.701 . . . . . . A 18 ARG HB3 . 19428 1 178 . 1 1 18 18 ARG HG2 H 1 1.557 . . . . . . A 18 ARG HG2 . 19428 1 179 . 1 1 18 18 ARG HG3 H 1 1.557 . . . . . . A 18 ARG HG3 . 19428 1 180 . 1 1 18 18 ARG HD2 H 1 3.153 . . . . . . A 18 ARG HD2 . 19428 1 181 . 1 1 18 18 ARG HD3 H 1 3.153 . . . . . . A 18 ARG HD3 . 19428 1 182 . 1 1 18 18 ARG CA C 13 55.874 . . . . . . A 18 ARG CA . 19428 1 183 . 1 1 18 18 ARG CB C 13 31.303 . . . . . . A 18 ARG CB . 19428 1 184 . 1 1 18 18 ARG CG C 13 27.026 . . . . . . A 18 ARG CG . 19428 1 185 . 1 1 18 18 ARG CD C 13 43.316 . . . . . . A 18 ARG CD . 19428 1 186 . 1 1 18 18 ARG N N 15 129.380 . . . . . . A 18 ARG N . 19428 1 187 . 1 1 20 20 SER HA H 1 4.345 . . . . . . A 20 SER HA . 19428 1 188 . 1 1 20 20 SER HB2 H 1 3.660 . . . . . . A 20 SER HB2 . 19428 1 189 . 1 1 20 20 SER HB3 H 1 4.117 . . . . . . A 20 SER HB3 . 19428 1 190 . 1 1 21 21 VAL H H 1 8.111 . . . . . . A 21 VAL H . 19428 1 191 . 1 1 21 21 VAL HA H 1 4.501 . . . . . . A 21 VAL HA . 19428 1 192 . 1 1 21 21 VAL HB H 1 2.243 . . . . . . A 21 VAL HB . 19428 1 193 . 1 1 21 21 VAL HG11 H 1 0.868 . . . . . . A 21 VAL HG11 . 19428 1 194 . 1 1 21 21 VAL HG12 H 1 0.868 . . . . . . A 21 VAL HG12 . 19428 1 195 . 1 1 21 21 VAL HG13 H 1 0.868 . . . . . . A 21 VAL HG13 . 19428 1 196 . 1 1 21 21 VAL HG21 H 1 0.753 . . . . . . A 21 VAL HG21 . 19428 1 197 . 1 1 21 21 VAL HG22 H 1 0.753 . . . . . . A 21 VAL HG22 . 19428 1 198 . 1 1 21 21 VAL HG23 H 1 0.753 . . . . . . A 21 VAL HG23 . 19428 1 199 . 1 1 21 21 VAL C C 13 176.340 . . . . . . A 21 VAL C . 19428 1 200 . 1 1 21 21 VAL CA C 13 62.691 . . . . . . A 21 VAL CA . 19428 1 201 . 1 1 21 21 VAL CB C 13 32.486 . . . . . . A 21 VAL CB . 19428 1 202 . 1 1 21 21 VAL CG1 C 13 21.566 . . . . . . A 21 VAL CG1 . 19428 1 203 . 1 1 21 21 VAL CG2 C 13 21.566 . . . . . . A 21 VAL CG2 . 19428 1 204 . 1 1 21 21 VAL N N 15 125.000 . . . . . . A 21 VAL N . 19428 1 205 . 1 1 22 22 LEU H H 1 9.613 . . . . . . A 22 LEU H . 19428 1 206 . 1 1 22 22 LEU HA H 1 4.965 . . . . . . A 22 LEU HA . 19428 1 207 . 1 1 22 22 LEU HB2 H 1 1.670 . . . . . . A 22 LEU HB2 . 19428 1 208 . 1 1 22 22 LEU HB3 H 1 1.672 . . . . . . A 22 LEU HB3 . 19428 1 209 . 1 1 22 22 LEU HG H 1 1.409 . . . . . . A 22 LEU HG . 19428 1 210 . 1 1 22 22 LEU HD11 H 1 0.838 . . . . . . A 22 LEU HD11 . 19428 1 211 . 1 1 22 22 LEU HD12 H 1 0.838 . . . . . . A 22 LEU HD12 . 19428 1 212 . 1 1 22 22 LEU HD13 H 1 0.838 . . . . . . A 22 LEU HD13 . 19428 1 213 . 1 1 22 22 LEU HD21 H 1 0.811 . . . . . . A 22 LEU HD21 . 19428 1 214 . 1 1 22 22 LEU HD22 H 1 0.811 . . . . . . A 22 LEU HD22 . 19428 1 215 . 1 1 22 22 LEU HD23 H 1 0.811 . . . . . . A 22 LEU HD23 . 19428 1 216 . 1 1 22 22 LEU C C 13 175.704 . . . . . . A 22 LEU C . 19428 1 217 . 1 1 22 22 LEU CA C 13 53.316 . . . . . . A 22 LEU CA . 19428 1 218 . 1 1 22 22 LEU CB C 13 45.000 . . . . . . A 22 LEU CB . 19428 1 219 . 1 1 22 22 LEU CG C 13 26.844 . . . . . . A 22 LEU CG . 19428 1 220 . 1 1 22 22 LEU CD1 C 13 22.476 . . . . . . A 22 LEU CD1 . 19428 1 221 . 1 1 22 22 LEU CD2 C 13 22.476 . . . . . . A 22 LEU CD2 . 19428 1 222 . 1 1 22 22 LEU N N 15 134.000 . . . . . . A 22 LEU N . 19428 1 223 . 1 1 23 23 THR H H 1 9.377 . . . . . . A 23 THR H . 19428 1 224 . 1 1 23 23 THR HA H 1 5.291 . . . . . . A 23 THR HA . 19428 1 225 . 1 1 23 23 THR HB H 1 3.860 . . . . . . A 23 THR HB . 19428 1 226 . 1 1 23 23 THR HG21 H 1 1.375 . . . . . . A 23 THR HG21 . 19428 1 227 . 1 1 23 23 THR HG22 H 1 1.375 . . . . . . A 23 THR HG22 . 19428 1 228 . 1 1 23 23 THR HG23 H 1 1.375 . . . . . . A 23 THR HG23 . 19428 1 229 . 1 1 23 23 THR C C 13 174.337 . . . . . . A 23 THR C . 19428 1 230 . 1 1 23 23 THR CA C 13 62.453 . . . . . . A 23 THR CA . 19428 1 231 . 1 1 23 23 THR CB C 13 69.946 . . . . . . A 23 THR CB . 19428 1 232 . 1 1 23 23 THR CG2 C 13 22.066 . . . . . . A 23 THR CG2 . 19428 1 233 . 1 1 23 23 THR N N 15 127.280 . . . . . . A 23 THR N . 19428 1 234 . 1 1 24 24 VAL H H 1 9.574 . . . . . . A 24 VAL H . 19428 1 235 . 1 1 24 24 VAL HA H 1 5.373 . . . . . . A 24 VAL HA . 19428 1 236 . 1 1 24 24 VAL HB H 1 2.095 . . . . . . A 24 VAL HB . 19428 1 237 . 1 1 24 24 VAL HG11 H 1 0.895 . . . . . . A 24 VAL HG11 . 19428 1 238 . 1 1 24 24 VAL HG12 H 1 0.895 . . . . . . A 24 VAL HG12 . 19428 1 239 . 1 1 24 24 VAL HG13 H 1 0.895 . . . . . . A 24 VAL HG13 . 19428 1 240 . 1 1 24 24 VAL HG21 H 1 0.895 . . . . . . A 24 VAL HG21 . 19428 1 241 . 1 1 24 24 VAL HG22 H 1 0.895 . . . . . . A 24 VAL HG22 . 19428 1 242 . 1 1 24 24 VAL HG23 H 1 0.895 . . . . . . A 24 VAL HG23 . 19428 1 243 . 1 1 24 24 VAL C C 13 174.150 . . . . . . A 24 VAL C . 19428 1 244 . 1 1 24 24 VAL CA C 13 59.894 . . . . . . A 24 VAL CA . 19428 1 245 . 1 1 24 24 VAL CB C 13 34.401 . . . . . . A 24 VAL CB . 19428 1 246 . 1 1 24 24 VAL CG1 C 13 21.883 . . . . . . A 24 VAL CG1 . 19428 1 247 . 1 1 24 24 VAL CG2 C 13 21.883 . . . . . . A 24 VAL CG2 . 19428 1 248 . 1 1 24 24 VAL N N 15 125.219 . . . . . . A 24 VAL N . 19428 1 249 . 1 1 25 25 LYS H H 1 9.375 . . . . . . A 25 LYS H . 19428 1 250 . 1 1 25 25 LYS HA H 1 5.543 . . . . . . A 25 LYS HA . 19428 1 251 . 1 1 25 25 LYS HB2 H 1 1.595 . . . . . . A 25 LYS HB2 . 19428 1 252 . 1 1 25 25 LYS HB3 H 1 1.700 . . . . . . A 25 LYS HB3 . 19428 1 253 . 1 1 25 25 LYS HG2 H 1 1.076 . . . . . . A 25 LYS HG2 . 19428 1 254 . 1 1 25 25 LYS HG3 H 1 1.167 . . . . . . A 25 LYS HG3 . 19428 1 255 . 1 1 25 25 LYS HD2 H 1 0.944 . . . . . . A 25 LYS HD2 . 19428 1 256 . 1 1 25 25 LYS HD3 H 1 1.064 . . . . . . A 25 LYS HD3 . 19428 1 257 . 1 1 25 25 LYS HE2 H 1 1.882 . . . . . . A 25 LYS HE2 . 19428 1 258 . 1 1 25 25 LYS HE3 H 1 1.882 . . . . . . A 25 LYS HE3 . 19428 1 259 . 1 1 25 25 LYS C C 13 174.843 . . . . . . A 25 LYS C . 19428 1 260 . 1 1 25 25 LYS CA C 13 54.054 . . . . . . A 25 LYS CA . 19428 1 261 . 1 1 25 25 LYS CB C 13 37.218 . . . . . . A 25 LYS CB . 19428 1 262 . 1 1 25 25 LYS CG C 13 24.933 . . . . . . A 25 LYS CG . 19428 1 263 . 1 1 25 25 LYS CD C 13 29.392 . . . . . . A 25 LYS CD . 19428 1 264 . 1 1 25 25 LYS CE C 13 40.495 . . . . . . A 25 LYS CE . 19428 1 265 . 1 1 25 25 LYS N N 15 122.043 . . . . . . A 25 LYS N . 19428 1 266 . 1 1 26 26 VAL H H 1 8.235 . . . . . . A 26 VAL H . 19428 1 267 . 1 1 26 26 VAL HA H 1 4.973 . . . . . . A 26 VAL HA . 19428 1 268 . 1 1 26 26 VAL HB H 1 1.910 . . . . . . A 26 VAL HB . 19428 1 269 . 1 1 26 26 VAL HG11 H 1 0.871 . . . . . . A 26 VAL HG11 . 19428 1 270 . 1 1 26 26 VAL HG12 H 1 0.871 . . . . . . A 26 VAL HG12 . 19428 1 271 . 1 1 26 26 VAL HG13 H 1 0.871 . . . . . . A 26 VAL HG13 . 19428 1 272 . 1 1 26 26 VAL HG21 H 1 0.658 . . . . . . A 26 VAL HG21 . 19428 1 273 . 1 1 26 26 VAL HG22 H 1 0.658 . . . . . . A 26 VAL HG22 . 19428 1 274 . 1 1 26 26 VAL HG23 H 1 0.658 . . . . . . A 26 VAL HG23 . 19428 1 275 . 1 1 26 26 VAL C C 13 175.835 . . . . . . A 26 VAL C . 19428 1 276 . 1 1 26 26 VAL CA C 13 60.808 . . . . . . A 26 VAL CA . 19428 1 277 . 1 1 26 26 VAL CB C 13 34.144 . . . . . . A 26 VAL CB . 19428 1 278 . 1 1 26 26 VAL CG1 C 13 21.293 . . . . . . A 26 VAL CG1 . 19428 1 279 . 1 1 26 26 VAL CG2 C 13 21.293 . . . . . . A 26 VAL CG2 . 19428 1 280 . 1 1 26 26 VAL N N 15 121.993 . . . . . . A 26 VAL N . 19428 1 281 . 1 1 27 27 GLU H H 1 8.746 . . . . . . A 27 GLU H . 19428 1 282 . 1 1 27 27 GLU HA H 1 5.373 . . . . . . A 27 GLU HA . 19428 1 283 . 1 1 27 27 GLU HB2 H 1 1.958 . . . . . . A 27 GLU HB2 . 19428 1 284 . 1 1 27 27 GLU HB3 H 1 1.958 . . . . . . A 27 GLU HB3 . 19428 1 285 . 1 1 27 27 GLU HG2 H 1 1.835 . . . . . . A 27 GLU HG2 . 19428 1 286 . 1 1 27 27 GLU HG3 H 1 2.015 . . . . . . A 27 GLU HG3 . 19428 1 287 . 1 1 27 27 GLU C C 13 176.733 . . . . . . A 27 GLU C . 19428 1 288 . 1 1 27 27 GLU CA C 13 54.145 . . . . . . A 27 GLU CA . 19428 1 289 . 1 1 27 27 GLU CB C 13 34.219 . . . . . . A 27 GLU CB . 19428 1 290 . 1 1 27 27 GLU CG C 13 36.217 . . . . . . A 27 GLU CG . 19428 1 291 . 1 1 27 27 GLU N N 15 125.388 . . . . . . A 27 GLU N . 19428 1 292 . 1 1 28 28 ASN H H 1 8.563 . . . . . . A 28 ASN H . 19428 1 293 . 1 1 28 28 ASN HA H 1 5.030 . . . . . . A 28 ASN HA . 19428 1 294 . 1 1 28 28 ASN HB2 H 1 2.862 . . . . . . A 28 ASN HB2 . 19428 1 295 . 1 1 28 28 ASN HB3 H 1 3.668 . . . . . . A 28 ASN HB3 . 19428 1 296 . 1 1 28 28 ASN C C 13 177.239 . . . . . . A 28 ASN C . 19428 1 297 . 1 1 28 28 ASN CA C 13 50.930 . . . . . . A 28 ASN CA . 19428 1 298 . 1 1 28 28 ASN CB C 13 38.696 . . . . . . A 28 ASN CB . 19428 1 299 . 1 1 28 28 ASN N N 15 117.879 . . . . . . A 28 ASN N . 19428 1 300 . 1 1 29 29 ASP H H 1 8.611 . . . . . . A 29 ASP H . 19428 1 301 . 1 1 29 29 ASP HA H 1 4.397 . . . . . . A 29 ASP HA . 19428 1 302 . 1 1 29 29 ASP HB2 H 1 2.718 . . . . . . A 29 ASP HB2 . 19428 1 303 . 1 1 29 29 ASP HB3 H 1 2.718 . . . . . . A 29 ASP HB3 . 19428 1 304 . 1 1 29 29 ASP C C 13 176.883 . . . . . . A 29 ASP C . 19428 1 305 . 1 1 29 29 ASP CA C 13 56.416 . . . . . . A 29 ASP CA . 19428 1 306 . 1 1 29 29 ASP CB C 13 40.122 . . . . . . A 29 ASP CB . 19428 1 307 . 1 1 29 29 ASP N N 15 118.421 . . . . . . A 29 ASP N . 19428 1 308 . 1 1 30 30 GLU H H 1 7.659 . . . . . . A 30 GLU H . 19428 1 309 . 1 1 30 30 GLU HA H 1 4.345 . . . . . . A 30 GLU HA . 19428 1 310 . 1 1 30 30 GLU HB2 H 1 1.748 . . . . . . A 30 GLU HB2 . 19428 1 311 . 1 1 30 30 GLU HB3 H 1 2.149 . . . . . . A 30 GLU HB3 . 19428 1 312 . 1 1 30 30 GLU HG2 H 1 2.159 . . . . . . A 30 GLU HG2 . 19428 1 313 . 1 1 30 30 GLU HG3 H 1 2.159 . . . . . . A 30 GLU HG3 . 19428 1 314 . 1 1 30 30 GLU C C 13 175.546 . . . . . . A 30 GLU C . 19428 1 315 . 1 1 30 30 GLU CA C 13 56.253 . . . . . . A 30 GLU CA . 19428 1 316 . 1 1 30 30 GLU CB C 13 30.107 . . . . . . A 30 GLU CB . 19428 1 317 . 1 1 30 30 GLU CG C 13 36.763 . . . . . . A 30 GLU CG . 19428 1 318 . 1 1 30 30 GLU N N 15 117.192 . . . . . . A 30 GLU N . 19428 1 319 . 1 1 31 31 GLY H H 1 8.027 . . . . . . A 31 GLY H . 19428 1 320 . 1 1 31 31 GLY HA2 H 1 3.706 . . . . . . A 31 GLY HA2 . 19428 1 321 . 1 1 31 31 GLY HA3 H 1 4.033 . . . . . . A 31 GLY HA3 . 19428 1 322 . 1 1 31 31 GLY C C 13 173.600 . . . . . . A 31 GLY C . 19428 1 323 . 1 1 31 31 GLY CA C 13 44.953 . . . . . . A 31 GLY CA . 19428 1 324 . 1 1 31 31 GLY N N 15 107.729 . . . . . . A 31 GLY N . 19428 1 325 . 1 1 32 32 TRP H H 1 8.014 . . . . . . A 32 TRP H . 19428 1 326 . 1 1 32 32 TRP HA H 1 4.704 . . . . . . A 32 TRP HA . 19428 1 327 . 1 1 32 32 TRP HB2 H 1 3.006 . . . . . . A 32 TRP HB2 . 19428 1 328 . 1 1 32 32 TRP HB3 H 1 3.227 . . . . . . A 32 TRP HB3 . 19428 1 329 . 1 1 32 32 TRP HD1 H 1 7.069 . . . . . . A 32 TRP HD1 . 19428 1 330 . 1 1 32 32 TRP HE3 H 1 7.605 . . . . . . A 32 TRP HE3 . 19428 1 331 . 1 1 32 32 TRP HZ3 H 1 7.134 . . . . . . A 32 TRP HZ3 . 19428 1 332 . 1 1 32 32 TRP C C 13 176.300 . . . . . . A 32 TRP C . 19428 1 333 . 1 1 32 32 TRP CA C 13 55.237 . . . . . . A 32 TRP CA . 19428 1 334 . 1 1 32 32 TRP CB C 13 29.574 . . . . . . A 32 TRP CB . 19428 1 335 . 1 1 32 32 TRP CD1 C 13 127.011 . . . . . . A 32 TRP CD1 . 19428 1 336 . 1 1 32 32 TRP CE3 C 13 120.997 . . . . . . A 32 TRP CE3 . 19428 1 337 . 1 1 32 32 TRP N N 15 121.958 . . . . . . A 32 TRP N . 19428 1 338 . 1 1 33 33 THR H H 1 8.601 . . . . . . A 33 THR H . 19428 1 339 . 1 1 33 33 THR HA H 1 3.946 . . . . . . A 33 THR HA . 19428 1 340 . 1 1 33 33 THR HB H 1 3.870 . . . . . . A 33 THR HB . 19428 1 341 . 1 1 33 33 THR HG21 H 1 1.012 . . . . . . A 33 THR HG21 . 19428 1 342 . 1 1 33 33 THR HG22 H 1 1.012 . . . . . . A 33 THR HG22 . 19428 1 343 . 1 1 33 33 THR HG23 H 1 1.012 . . . . . . A 33 THR HG23 . 19428 1 344 . 1 1 33 33 THR C C 13 174.206 . . . . . . A 33 THR C . 19428 1 345 . 1 1 33 33 THR CA C 13 64.555 . . . . . . A 33 THR CA . 19428 1 346 . 1 1 33 33 THR CB C 13 68.666 . . . . . . A 33 THR CB . 19428 1 347 . 1 1 33 33 THR CG2 C 13 22.840 . . . . . . A 33 THR CG2 . 19428 1 348 . 1 1 33 33 THR N N 15 120.577 . . . . . . A 33 THR N . 19428 1 349 . 1 1 34 34 LEU H H 1 9.544 . . . . . . A 34 LEU H . 19428 1 350 . 1 1 34 34 LEU HA H 1 4.410 . . . . . . A 34 LEU HA . 19428 1 351 . 1 1 34 34 LEU HB2 H 1 1.623 . . . . . . A 34 LEU HB2 . 19428 1 352 . 1 1 34 34 LEU HB3 H 1 1.633 . . . . . . A 34 LEU HB3 . 19428 1 353 . 1 1 34 34 LEU HG H 1 1.719 . . . . . . A 34 LEU HG . 19428 1 354 . 1 1 34 34 LEU HD11 H 1 0.927 . . . . . . A 34 LEU HD11 . 19428 1 355 . 1 1 34 34 LEU HD12 H 1 0.927 . . . . . . A 34 LEU HD12 . 19428 1 356 . 1 1 34 34 LEU HD13 H 1 0.927 . . . . . . A 34 LEU HD13 . 19428 1 357 . 1 1 34 34 LEU HD21 H 1 0.927 . . . . . . A 34 LEU HD21 . 19428 1 358 . 1 1 34 34 LEU HD22 H 1 0.927 . . . . . . A 34 LEU HD22 . 19428 1 359 . 1 1 34 34 LEU HD23 H 1 0.927 . . . . . . A 34 LEU HD23 . 19428 1 360 . 1 1 34 34 LEU C C 13 177.351 . . . . . . A 34 LEU C . 19428 1 361 . 1 1 34 34 LEU CA C 13 56.498 . . . . . . A 34 LEU CA . 19428 1 362 . 1 1 34 34 LEU CB C 13 43.315 . . . . . . A 34 LEU CB . 19428 1 363 . 1 1 34 34 LEU CG C 13 26.935 . . . . . . A 34 LEU CG . 19428 1 364 . 1 1 34 34 LEU CD1 C 13 25.024 . . . . . . A 34 LEU CD1 . 19428 1 365 . 1 1 34 34 LEU CD2 C 13 23.022 . . . . . . A 34 LEU CD2 . 19428 1 366 . 1 1 34 34 LEU N N 15 129.662 . . . . . . A 34 LEU N . 19428 1 367 . 1 1 35 35 VAL H H 1 7.355 . . . . . . A 35 VAL H . 19428 1 368 . 1 1 35 35 VAL HA H 1 4.541 . . . . . . A 35 VAL HA . 19428 1 369 . 1 1 35 35 VAL HB H 1 2.296 . . . . . . A 35 VAL HB . 19428 1 370 . 1 1 35 35 VAL HG11 H 1 0.936 . . . . . . A 35 VAL HG11 . 19428 1 371 . 1 1 35 35 VAL HG12 H 1 0.936 . . . . . . A 35 VAL HG12 . 19428 1 372 . 1 1 35 35 VAL HG13 H 1 0.936 . . . . . . A 35 VAL HG13 . 19428 1 373 . 1 1 35 35 VAL HG21 H 1 00.936 . . . . . . A 35 VAL HG21 . 19428 1 374 . 1 1 35 35 VAL HG22 H 1 0.936 . . . . . . A 35 VAL HG22 . 19428 1 375 . 1 1 35 35 VAL HG23 H 1 0.936 . . . . . . A 35 VAL HG23 . 19428 1 376 . 1 1 35 35 VAL C C 13 172.690 . . . . . . A 35 VAL C . 19428 1 377 . 1 1 35 35 VAL CA C 13 60.101 . . . . . . A 35 VAL CA . 19428 1 378 . 1 1 35 35 VAL CB C 13 35.864 . . . . . . A 35 VAL CB . 19428 1 379 . 1 1 35 35 VAL CG1 C 13 21.609 . . . . . . A 35 VAL CG1 . 19428 1 380 . 1 1 35 35 VAL CG2 C 13 20.147 . . . . . . A 35 VAL CG2 . 19428 1 381 . 1 1 35 35 VAL N N 15 112.599 . . . . . . A 35 VAL N . 19428 1 382 . 1 1 36 36 GLU H H 1 8.053 . . . . . . A 36 GLU H . 19428 1 383 . 1 1 36 36 GLU HA H 1 5.536 . . . . . . A 36 GLU HA . 19428 1 384 . 1 1 36 36 GLU HB2 H 1 1.824 . . . . . . A 36 GLU HB2 . 19428 1 385 . 1 1 36 36 GLU HB3 H 1 1.882 . . . . . . A 36 GLU HB3 . 19428 1 386 . 1 1 36 36 GLU HG2 H 1 2.016 . . . . . . A 36 GLU HG2 . 19428 1 387 . 1 1 36 36 GLU HG3 H 1 2.016 . . . . . . A 36 GLU HG3 . 19428 1 388 . 1 1 36 36 GLU C C 13 174.431 . . . . . . A 36 GLU C . 19428 1 389 . 1 1 36 36 GLU CA C 13 55.417 . . . . . . A 36 GLU CA . 19428 1 390 . 1 1 36 36 GLU CB C 13 33.578 . . . . . . A 36 GLU CB . 19428 1 391 . 1 1 36 36 GLU CG C 13 36.399 . . . . . . A 36 GLU CG . 19428 1 392 . 1 1 36 36 GLU N N 15 122.107 . . . . . . A 36 GLU N . 19428 1 393 . 1 1 37 37 GLU H H 1 8.875 . . . . . . A 37 GLU H . 19428 1 394 . 1 1 37 37 GLU HA H 1 4.524 . . . . . . A 37 GLU HA . 19428 1 395 . 1 1 37 37 GLU HB2 H 1 1.099 . . . . . . A 37 GLU HB2 . 19428 1 396 . 1 1 37 37 GLU HB3 H 1 1.098 . . . . . . A 37 GLU HB3 . 19428 1 397 . 1 1 37 37 GLU HG2 H 1 1.474 . . . . . . A 37 GLU HG2 . 19428 1 398 . 1 1 37 37 GLU HG3 H 1 1.557 . . . . . . A 37 GLU HG3 . 19428 1 399 . 1 1 37 37 GLU C C 13 172.653 . . . . . . A 37 GLU C . 19428 1 400 . 1 1 37 37 GLU CA C 13 55.055 . . . . . . A 37 GLU CA . 19428 1 401 . 1 1 37 37 GLU CB C 13 33.489 . . . . . . A 37 GLU CB . 19428 1 402 . 1 1 37 37 GLU CG C 13 36.399 . . . . . . A 37 GLU CG . 19428 1 403 . 1 1 37 37 GLU N N 15 125.585 . . . . . . A 37 GLU N . 19428 1 404 . 1 1 38 38 ASP H H 1 8.572 . . . . . . A 38 ASP H . 19428 1 405 . 1 1 38 38 ASP HA H 1 5.428 . . . . . . A 38 ASP HA . 19428 1 406 . 1 1 38 38 ASP HB2 H 1 2.277 . . . . . . A 38 ASP HB2 . 19428 1 407 . 1 1 38 38 ASP HB3 H 1 2.421 . . . . . . A 38 ASP HB3 . 19428 1 408 . 1 1 38 38 ASP C C 13 175.891 . . . . . . A 38 ASP C . 19428 1 409 . 1 1 38 38 ASP CA C 13 53.241 . . . . . . A 38 ASP CA . 19428 1 410 . 1 1 38 38 ASP CB C 13 42.988 . . . . . . A 38 ASP CB . 19428 1 411 . 1 1 38 38 ASP N N 15 123.757 . . . . . . A 38 ASP N . 19428 1 412 . 1 1 39 39 PHE H H 1 9.376 . . . . . . A 39 PHE H . 19428 1 413 . 1 1 39 39 PHE HA H 1 4.560 . . . . . . A 39 PHE HA . 19428 1 414 . 1 1 39 39 PHE HB2 H 1 2.844 . . . . . . A 39 PHE HB2 . 19428 1 415 . 1 1 39 39 PHE HB3 H 1 3.001 . . . . . . A 39 PHE HB3 . 19428 1 416 . 1 1 39 39 PHE HD1 H 1 7.066 . . . . . . A 39 PHE HD1 . 19428 1 417 . 1 1 39 39 PHE HD2 H 1 7.066 . . . . . . A 39 PHE HD2 . 19428 1 418 . 1 1 39 39 PHE HE1 H 1 6.663 . . . . . . A 39 PHE HE1 . 19428 1 419 . 1 1 39 39 PHE HE2 H 1 6.663 . . . . . . A 39 PHE HE2 . 19428 1 420 . 1 1 39 39 PHE HZ H 1 6.322 . . . . . . A 39 PHE HZ . 19428 1 421 . 1 1 39 39 PHE C C 13 173.645 . . . . . . A 39 PHE C . 19428 1 422 . 1 1 39 39 PHE CA C 13 57.239 . . . . . . A 39 PHE CA . 19428 1 423 . 1 1 39 39 PHE CB C 13 42.808 . . . . . . A 39 PHE CB . 19428 1 424 . 1 1 39 39 PHE CD1 C 13 131.932 . . . . . . A 39 PHE CD1 . 19428 1 425 . 1 1 39 39 PHE CD2 C 13 131.932 . . . . . . A 39 PHE CD2 . 19428 1 426 . 1 1 39 39 PHE CE1 C 13 130.292 . . . . . . A 39 PHE CE1 . 19428 1 427 . 1 1 39 39 PHE CE2 C 13 130.292 . . . . . . A 39 PHE CE2 . 19428 1 428 . 1 1 39 39 PHE CZ C 13 129.745 . . . . . . A 39 PHE CZ . 19428 1 429 . 1 1 39 39 PHE N N 15 121.230 . . . . . . A 39 PHE N . 19428 1 430 . 1 1 40 40 ASP H H 1 9.647 . . . . . . A 40 ASP H . 19428 1 431 . 1 1 40 40 ASP HA H 1 5.112 . . . . . . A 40 ASP HA . 19428 1 432 . 1 1 40 40 ASP HB2 H 1 2.430 . . . . . . A 40 ASP HB2 . 19428 1 433 . 1 1 40 40 ASP HB3 H 1 3.207 . . . . . . A 40 ASP HB3 . 19428 1 434 . 1 1 40 40 ASP C C 13 177.667 . . . . . . A 40 ASP C . 19428 1 435 . 1 1 40 40 ASP CA C 13 52.400 . . . . . . A 40 ASP CA . 19428 1 436 . 1 1 40 40 ASP CB C 13 41.587 . . . . . . A 40 ASP CB . 19428 1 437 . 1 1 40 40 ASP N N 15 125.156 . . . . . . A 40 ASP N . 19428 1 438 . 1 1 41 41 ARG H H 1 8.977 . . . . . . A 41 ARG H . 19428 1 439 . 1 1 41 41 ARG HA H 1 4.312 . . . . . . A 41 ARG HA . 19428 1 440 . 1 1 41 41 ARG HB2 H 1 1.719 . . . . . . A 41 ARG HB2 . 19428 1 441 . 1 1 41 41 ARG HB3 H 1 1.707 . . . . . . A 41 ARG HB3 . 19428 1 442 . 1 1 41 41 ARG C C 13 177.894 . . . . . . A 41 ARG C . 19428 1 443 . 1 1 41 41 ARG CA C 13 57.694 . . . . . . A 41 ARG CA . 19428 1 444 . 1 1 41 41 ARG CB C 13 29.284 . . . . . . A 41 ARG CB . 19428 1 445 . 1 1 41 41 ARG N N 15 128.700 . . . . . . A 41 ARG N . 19428 1 446 . 1 1 42 42 ALA H H 1 8.623 . . . . . . A 42 ALA H . 19428 1 447 . 1 1 42 42 ALA HA H 1 4.215 . . . . . . A 42 ALA HA . 19428 1 448 . 1 1 42 42 ALA HB1 H 1 1.317 . . . . . . A 42 ALA HB1 . 19428 1 449 . 1 1 42 42 ALA HB2 H 1 1.317 . . . . . . A 42 ALA HB2 . 19428 1 450 . 1 1 42 42 ALA HB3 H 1 1.317 . . . . . . A 42 ALA HB3 . 19428 1 451 . 1 1 42 42 ALA C C 13 178.568 . . . . . . A 42 ALA C . 19428 1 452 . 1 1 42 42 ALA CA C 13 53.960 . . . . . . A 42 ALA CA . 19428 1 453 . 1 1 42 42 ALA CB C 13 18.259 . . . . . . A 42 ALA CB . 19428 1 454 . 1 1 42 42 ALA N N 15 120.997 . . . . . . A 42 ALA N . 19428 1 455 . 1 1 43 43 ASP H H 1 8.003 . . . . . . A 43 ASP H . 19428 1 456 . 1 1 43 43 ASP HA H 1 4.508 . . . . . . A 43 ASP HA . 19428 1 457 . 1 1 43 43 ASP HB2 H 1 2.516 . . . . . . A 43 ASP HB2 . 19428 1 458 . 1 1 43 43 ASP HB3 H 1 2.795 . . . . . . A 43 ASP HB3 . 19428 1 459 . 1 1 43 43 ASP C C 13 174.787 . . . . . . A 43 ASP C . 19428 1 460 . 1 1 43 43 ASP CA C 13 54.960 . . . . . . A 43 ASP CA . 19428 1 461 . 1 1 43 43 ASP CB C 13 40.523 . . . . . . A 43 ASP CB . 19428 1 462 . 1 1 43 43 ASP N N 15 116.455 . . . . . . A 43 ASP N . 19428 1 463 . 1 1 44 44 TYR H H 1 7.716 . . . . . . A 44 TYR H . 19428 1 464 . 1 1 44 44 TYR HA H 1 4.713 . . . . . . A 44 TYR HA . 19428 1 465 . 1 1 44 44 TYR HB2 H 1 2.876 . . . . . . A 44 TYR HB2 . 19428 1 466 . 1 1 44 44 TYR HB3 H 1 3.201 . . . . . . A 44 TYR HB3 . 19428 1 467 . 1 1 44 44 TYR HD1 H 1 7.443 . . . . . . A 44 TYR HD1 . 19428 1 468 . 1 1 44 44 TYR HD2 H 1 7.443 . . . . . . A 44 TYR HD2 . 19428 1 469 . 1 1 44 44 TYR HE1 H 1 7.015 . . . . . . A 44 TYR HE1 . 19428 1 470 . 1 1 44 44 TYR HE2 H 1 7.015 . . . . . . A 44 TYR HE2 . 19428 1 471 . 1 1 44 44 TYR C C 13 175.845 . . . . . . A 44 TYR C . 19428 1 472 . 1 1 44 44 TYR CA C 13 57.645 . . . . . . A 44 TYR CA . 19428 1 473 . 1 1 44 44 TYR CB C 13 42.251 . . . . . . A 44 TYR CB . 19428 1 474 . 1 1 44 44 TYR CD1 C 13 134.119 . . . . . . A 44 TYR CD1 . 19428 1 475 . 1 1 44 44 TYR CD2 C 13 134.119 . . . . . . A 44 TYR CD2 . 19428 1 476 . 1 1 44 44 TYR CE1 C 13 118.111 . . . . . . A 44 TYR CE1 . 19428 1 477 . 1 1 44 44 TYR CE2 C 13 118.111 . . . . . . A 44 TYR CE2 . 19428 1 478 . 1 1 44 44 TYR N N 15 118.158 . . . . . . A 44 TYR N . 19428 1 479 . 1 1 45 45 GLY H H 1 9.163 . . . . . . A 45 GLY H . 19428 1 480 . 1 1 45 45 GLY HA2 H 1 3.899 . . . . . . A 45 GLY HA2 . 19428 1 481 . 1 1 45 45 GLY HA3 H 1 4.198 . . . . . . A 45 GLY HA3 . 19428 1 482 . 1 1 45 45 GLY C C 13 174.244 . . . . . . A 45 GLY C . 19428 1 483 . 1 1 45 45 GLY CA C 13 46.006 . . . . . . A 45 GLY CA . 19428 1 484 . 1 1 45 45 GLY N N 15 106.938 . . . . . . A 45 GLY N . 19428 1 485 . 1 1 46 46 SER H H 1 7.572 . . . . . . A 46 SER H . 19428 1 486 . 1 1 46 46 SER HA H 1 4.683 . . . . . . A 46 SER HA . 19428 1 487 . 1 1 46 46 SER HB2 H 1 4.004 . . . . . . A 46 SER HB2 . 19428 1 488 . 1 1 46 46 SER HB3 H 1 4.205 . . . . . . A 46 SER HB3 . 19428 1 489 . 1 1 46 46 SER C C 13 173.458 . . . . . . A 46 SER C . 19428 1 490 . 1 1 46 46 SER CA C 13 57.519 . . . . . . A 46 SER CA . 19428 1 491 . 1 1 46 46 SER CB C 13 65.194 . . . . . . A 46 SER CB . 19428 1 492 . 1 1 46 46 SER N N 15 110.830 . . . . . . A 46 SER N . 19428 1 493 . 1 1 47 47 ASP H H 1 9.451 . . . . . . A 47 ASP H . 19428 1 494 . 1 1 47 47 ASP HA H 1 4.704 . . . . . . A 47 ASP HA . 19428 1 495 . 1 1 47 47 ASP HB2 H 1 2.844 . . . . . . A 47 ASP HB2 . 19428 1 496 . 1 1 47 47 ASP HB3 H 1 2.844 . . . . . . A 47 ASP HB3 . 19428 1 497 . 1 1 47 47 ASP C C 13 175.629 . . . . . . A 47 ASP C . 19428 1 498 . 1 1 47 47 ASP CA C 13 58.332 . . . . . . A 47 ASP CA . 19428 1 499 . 1 1 47 47 ASP CB C 13 37.855 . . . . . . A 47 ASP CB . 19428 1 500 . 1 1 47 47 ASP N N 15 121.491 . . . . . . A 47 ASP N . 19428 1 501 . 1 1 48 48 PRO HA H 1 4.274 . . . . . . A 48 PRO HA . 19428 1 502 . 1 1 48 48 PRO HB2 H 1 1.824 . . . . . . A 48 PRO HB2 . 19428 1 503 . 1 1 48 48 PRO HB3 H 1 2.321 . . . . . . A 48 PRO HB3 . 19428 1 504 . 1 1 48 48 PRO HG2 H 1 1.987 . . . . . . A 48 PRO HG2 . 19428 1 505 . 1 1 48 48 PRO HG3 H 1 2.178 . . . . . . A 48 PRO HG3 . 19428 1 506 . 1 1 48 48 PRO HD2 H 1 3.851 . . . . . . A 48 PRO HD2 . 19428 1 507 . 1 1 48 48 PRO HD3 H 1 3.851 . . . . . . A 48 PRO HD3 . 19428 1 508 . 1 1 48 48 PRO C C 13 179.878 . . . . . . A 48 PRO C . 19428 1 509 . 1 1 48 48 PRO CA C 13 66.160 . . . . . . A 48 PRO CA . 19428 1 510 . 1 1 48 48 PRO CB C 13 31.121 . . . . . . A 48 PRO CB . 19428 1 511 . 1 1 48 48 PRO CG C 13 28.390 . . . . . . A 48 PRO CG . 19428 1 512 . 1 1 48 48 PRO CD C 13 50.414 . . . . . . A 48 PRO CD . 19428 1 513 . 1 1 49 49 GLU H H 1 7.390 . . . . . . A 49 GLU H . 19428 1 514 . 1 1 49 49 GLU HA H 1 4.100 . . . . . . A 49 GLU HA . 19428 1 515 . 1 1 49 49 GLU HB2 H 1 2.241 . . . . . . A 49 GLU HB2 . 19428 1 516 . 1 1 49 49 GLU HB3 H 1 2.413 . . . . . . A 49 GLU HB3 . 19428 1 517 . 1 1 49 49 GLU HG2 H 1 2.388 . . . . . . A 49 GLU HG2 . 19428 1 518 . 1 1 49 49 GLU HG3 H 1 2.404 . . . . . . A 49 GLU HG3 . 19428 1 519 . 1 1 49 49 GLU C C 13 178.156 . . . . . . A 49 GLU C . 19428 1 520 . 1 1 49 49 GLU CA C 13 59.255 . . . . . . A 49 GLU CA . 19428 1 521 . 1 1 49 49 GLU CB C 13 31.033 . . . . . . A 49 GLU CB . 19428 1 522 . 1 1 49 49 GLU CG C 13 37.764 . . . . . . A 49 GLU CG . 19428 1 523 . 1 1 49 49 GLU N N 15 117.013 . . . . . . A 49 GLU N . 19428 1 524 . 1 1 50 50 PHE H H 1 7.662 . . . . . . A 50 PHE H . 19428 1 525 . 1 1 50 50 PHE HA H 1 3.364 . . . . . . A 50 PHE HA . 19428 1 526 . 1 1 50 50 PHE HB2 H 1 2.893 . . . . . . A 50 PHE HB2 . 19428 1 527 . 1 1 50 50 PHE HB3 H 1 3.364 . . . . . . A 50 PHE HB3 . 19428 1 528 . 1 1 50 50 PHE HD1 H 1 6.949 . . . . . . A 50 PHE HD1 . 19428 1 529 . 1 1 50 50 PHE HD2 H 1 6.949 . . . . . . A 50 PHE HD2 . 19428 1 530 . 1 1 50 50 PHE HE1 H 1 7.444 . . . . . . A 50 PHE HE1 . 19428 1 531 . 1 1 50 50 PHE HE2 H 1 7.444 . . . . . . A 50 PHE HE2 . 19428 1 532 . 1 1 50 50 PHE C C 13 175.835 . . . . . . A 50 PHE C . 19428 1 533 . 1 1 50 50 PHE CA C 13 60.789 . . . . . . A 50 PHE CA . 19428 1 534 . 1 1 50 50 PHE CB C 13 39.767 . . . . . . A 50 PHE CB . 19428 1 535 . 1 1 50 50 PHE CD1 C 13 131.932 . . . . . . A 50 PHE CD1 . 19428 1 536 . 1 1 50 50 PHE CD2 C 13 131.932 . . . . . . A 50 PHE CD2 . 19428 1 537 . 1 1 50 50 PHE CE1 C 13 134.119 . . . . . . A 50 PHE CE1 . 19428 1 538 . 1 1 50 50 PHE CE2 C 13 134.119 . . . . . . A 50 PHE CE2 . 19428 1 539 . 1 1 50 50 PHE N N 15 121.791 . . . . . . A 50 PHE N . 19428 1 540 . 1 1 51 51 VAL H H 1 8.566 . . . . . . A 51 VAL H . 19428 1 541 . 1 1 51 51 VAL HA H 1 3.169 . . . . . . A 51 VAL HA . 19428 1 542 . 1 1 51 51 VAL HB H 1 1.967 . . . . . . A 51 VAL HB . 19428 1 543 . 1 1 51 51 VAL HG11 H 1 1.068 . . . . . . A 51 VAL HG11 . 19428 1 544 . 1 1 51 51 VAL HG12 H 1 1.068 . . . . . . A 51 VAL HG12 . 19428 1 545 . 1 1 51 51 VAL HG13 H 1 1.068 . . . . . . A 51 VAL HG13 . 19428 1 546 . 1 1 51 51 VAL HG21 H 1 0.886 . . . . . . A 51 VAL HG21 . 19428 1 547 . 1 1 51 51 VAL HG22 H 1 0.886 . . . . . . A 51 VAL HG22 . 19428 1 548 . 1 1 51 51 VAL HG23 H 1 0.886 . . . . . . A 51 VAL HG23 . 19428 1 549 . 1 1 51 51 VAL C C 13 178.998 . . . . . . A 51 VAL C . 19428 1 550 . 1 1 51 51 VAL CA C 13 66.108 . . . . . . A 51 VAL CA . 19428 1 551 . 1 1 51 51 VAL CB C 13 31.852 . . . . . . A 51 VAL CB . 19428 1 552 . 1 1 51 51 VAL CG1 C 13 22.888 . . . . . . A 51 VAL CG1 . 19428 1 553 . 1 1 51 51 VAL CG2 C 13 20.969 . . . . . . A 51 VAL CG2 . 19428 1 554 . 1 1 51 51 VAL N N 15 117.658 . . . . . . A 51 VAL N . 19428 1 555 . 1 1 52 52 ALA H H 1 8.109 . . . . . . A 52 ALA H . 19428 1 556 . 1 1 52 52 ALA HA H 1 4.084 . . . . . . A 52 ALA HA . 19428 1 557 . 1 1 52 52 ALA HB1 H 1 1.458 . . . . . . A 52 ALA HB1 . 19428 1 558 . 1 1 52 52 ALA HB2 H 1 1.458 . . . . . . A 52 ALA HB2 . 19428 1 559 . 1 1 52 52 ALA HB3 H 1 1.458 . . . . . . A 52 ALA HB3 . 19428 1 560 . 1 1 52 52 ALA C C 13 180.383 . . . . . . A 52 ALA C . 19428 1 561 . 1 1 52 52 ALA CA C 13 55.106 . . . . . . A 52 ALA CA . 19428 1 562 . 1 1 52 52 ALA CB C 13 17.932 . . . . . . A 52 ALA CB . 19428 1 563 . 1 1 52 52 ALA N N 15 122.222 . . . . . . A 52 ALA N . 19428 1 564 . 1 1 53 53 GLU H H 1 7.536 . . . . . . A 53 GLU H . 19428 1 565 . 1 1 53 53 GLU HA H 1 4.117 . . . . . . A 53 GLU HA . 19428 1 566 . 1 1 53 53 GLU HB2 H 1 1.834 . . . . . . A 53 GLU HB2 . 19428 1 567 . 1 1 53 53 GLU HB3 H 1 1.967 . . . . . . A 53 GLU HB3 . 19428 1 568 . 1 1 53 53 GLU HG2 H 1 2.713 . . . . . . A 53 GLU HG2 . 19428 1 569 . 1 1 53 53 GLU HG3 H 1 2.302 . . . . . . A 53 GLU HG3 . 19428 1 570 . 1 1 53 53 GLU C C 13 179.111 . . . . . . A 53 GLU C . 19428 1 571 . 1 1 53 53 GLU CA C 13 58.787 . . . . . . A 53 GLU CA . 19428 1 572 . 1 1 53 53 GLU CB C 13 28.658 . . . . . . A 53 GLU CB . 19428 1 573 . 1 1 53 53 GLU CG C 13 35.398 . . . . . . A 53 GLU CG . 19428 1 574 . 1 1 53 53 GLU N N 15 120.755 . . . . . . A 53 GLU N . 19428 1 575 . 1 1 54 54 VAL H H 1 7.509 . . . . . . A 54 VAL H . 19428 1 576 . 1 1 54 54 VAL HA H 1 2.518 . . . . . . A 54 VAL HA . 19428 1 577 . 1 1 54 54 VAL HB H 1 1.375 . . . . . . A 54 VAL HB . 19428 1 578 . 1 1 54 54 VAL HG11 H 1 0.349 . . . . . . A 54 VAL HG11 . 19428 1 579 . 1 1 54 54 VAL HG12 H 1 0.349 . . . . . . A 54 VAL HG12 . 19428 1 580 . 1 1 54 54 VAL HG13 H 1 0.349 . . . . . . A 54 VAL HG13 . 19428 1 581 . 1 1 54 54 VAL HG21 H 1 -0.535 . . . . . . A 54 VAL HG21 . 19428 1 582 . 1 1 54 54 VAL HG22 H 1 -0.535 . . . . . . A 54 VAL HG22 . 19428 1 583 . 1 1 54 54 VAL HG23 H 1 -0.535 . . . . . . A 54 VAL HG23 . 19428 1 584 . 1 1 54 54 VAL C C 13 177.856 . . . . . . A 54 VAL C . 19428 1 585 . 1 1 54 54 VAL CA C 13 66.522 . . . . . . A 54 VAL CA . 19428 1 586 . 1 1 54 54 VAL CB C 13 31.121 . . . . . . A 54 VAL CB . 19428 1 587 . 1 1 54 54 VAL CG1 C 13 20.747 . . . . . . A 54 VAL CG1 . 19428 1 588 . 1 1 54 54 VAL CG2 C 13 20.747 . . . . . . A 54 VAL CG2 . 19428 1 589 . 1 1 54 54 VAL N N 15 121.507 . . . . . . A 54 VAL N . 19428 1 590 . 1 1 55 55 SER H H 1 8.416 . . . . . . A 55 SER H . 19428 1 591 . 1 1 55 55 SER HA H 1 4.144 . . . . . . A 55 SER HA . 19428 1 592 . 1 1 55 55 SER HB2 H 1 3.933 . . . . . . A 55 SER HB2 . 19428 1 593 . 1 1 55 55 SER HB3 H 1 3.933 . . . . . . A 55 SER HB3 . 19428 1 594 . 1 1 55 55 SER C C 13 177.239 . . . . . . A 55 SER C . 19428 1 595 . 1 1 55 55 SER CA C 13 62.336 . . . . . . A 55 SER CA . 19428 1 596 . 1 1 55 55 SER CB C 13 62.336 . . . . . . A 55 SER CB . 19428 1 597 . 1 1 55 55 SER N N 15 113.915 . . . . . . A 55 SER N . 19428 1 598 . 1 1 56 56 SER H H 1 8.221 . . . . . . A 56 SER H . 19428 1 599 . 1 1 56 56 SER HA H 1 4.182 . . . . . . A 56 SER HA . 19428 1 600 . 1 1 56 56 SER HB2 H 1 4.019 . . . . . . A 56 SER HB2 . 19428 1 601 . 1 1 56 56 SER HB3 H 1 4.019 . . . . . . A 56 SER HB3 . 19428 1 602 . 1 1 56 56 SER CA C 13 62.700 . . . . . . A 56 SER CA . 19428 1 603 . 1 1 56 56 SER CB C 13 62.640 . . . . . . A 56 SER CB . 19428 1 604 . 1 1 56 56 SER N N 15 118.025 . . . . . . A 56 SER N . 19428 1 605 . 1 1 57 57 TYR H H 1 8.076 . . . . . . A 57 TYR H . 19428 1 606 . 1 1 57 57 TYR HA H 1 3.966 . . . . . . A 57 TYR HA . 19428 1 607 . 1 1 57 57 TYR HB2 H 1 3.163 . . . . . . A 57 TYR HB2 . 19428 1 608 . 1 1 57 57 TYR HB3 H 1 3.268 . . . . . . A 57 TYR HB3 . 19428 1 609 . 1 1 57 57 TYR HD1 H 1 6.955 . . . . . . A 57 TYR HD1 . 19428 1 610 . 1 1 57 57 TYR C C 13 178.700 . . . . . . A 57 TYR C . 19428 1 611 . 1 1 57 57 TYR CA C 13 62.179 . . . . . . A 57 TYR CA . 19428 1 612 . 1 1 57 57 TYR CB C 13 38.422 . . . . . . A 57 TYR CB . 19428 1 613 . 1 1 57 57 TYR N N 15 123.400 . . . . . . A 57 TYR N . 19428 1 614 . 1 1 58 58 LEU H H 1 8.443 . . . . . . A 58 LEU H . 19428 1 615 . 1 1 58 58 LEU HA H 1 3.546 . . . . . . A 58 LEU HA . 19428 1 616 . 1 1 58 58 LEU HB2 H 1 1.866 . . . . . . A 58 LEU HB2 . 19428 1 617 . 1 1 58 58 LEU HB3 H 1 1.866 . . . . . . A 58 LEU HB3 . 19428 1 618 . 1 1 58 58 LEU HG H 1 1.735 . . . . . . A 58 LEU HG . 19428 1 619 . 1 1 58 58 LEU HD11 H 1 0.410 . . . . . . A 58 LEU HD11 . 19428 1 620 . 1 1 58 58 LEU HD12 H 1 0.410 . . . . . . A 58 LEU HD12 . 19428 1 621 . 1 1 58 58 LEU HD13 H 1 0.410 . . . . . . A 58 LEU HD13 . 19428 1 622 . 1 1 58 58 LEU HD21 H 1 -0.048 . . . . . . A 58 LEU HD21 . 19428 1 623 . 1 1 58 58 LEU HD22 H 1 -0.048 . . . . . . A 58 LEU HD22 . 19428 1 624 . 1 1 58 58 LEU HD23 H 1 -0.048 . . . . . . A 58 LEU HD23 . 19428 1 625 . 1 1 58 58 LEU CA C 13 57.793 . . . . . . A 58 LEU CA . 19428 1 626 . 1 1 58 58 LEU CB C 13 41.596 . . . . . . A 58 LEU CB . 19428 1 627 . 1 1 58 58 LEU CG C 13 26.116 . . . . . . A 58 LEU CG . 19428 1 628 . 1 1 58 58 LEU CD1 C 13 23.841 . . . . . . A 58 LEU CD1 . 19428 1 629 . 1 1 58 58 LEU CD2 C 13 24.842 . . . . . . A 58 LEU CD2 . 19428 1 630 . 1 1 58 58 LEU N N 15 119.956 . . . . . . A 58 LEU N . 19428 1 631 . 1 1 59 59 LYS H H 1 8.127 . . . . . . A 59 LYS H . 19428 1 632 . 1 1 59 59 LYS HA H 1 4.195 . . . . . . A 59 LYS HA . 19428 1 633 . 1 1 59 59 LYS HB2 H 1 1.999 . . . . . . A 59 LYS HB2 . 19428 1 634 . 1 1 59 59 LYS HB3 H 1 1.999 . . . . . . A 59 LYS HB3 . 19428 1 635 . 1 1 59 59 LYS HG2 H 1 1.442 . . . . . . A 59 LYS HG2 . 19428 1 636 . 1 1 59 59 LYS HG3 H 1 1.566 . . . . . . A 59 LYS HG3 . 19428 1 637 . 1 1 59 59 LYS HD2 H 1 1.700 . . . . . . A 59 LYS HD2 . 19428 1 638 . 1 1 59 59 LYS HD3 H 1 1.700 . . . . . . A 59 LYS HD3 . 19428 1 639 . 1 1 59 59 LYS HE2 H 1 2.962 . . . . . . A 59 LYS HE2 . 19428 1 640 . 1 1 59 59 LYS HE3 H 1 2.962 . . . . . . A 59 LYS HE3 . 19428 1 641 . 1 1 59 59 LYS C C 13 179.616 . . . . . . A 59 LYS C . 19428 1 642 . 1 1 59 59 LYS CA C 13 59.255 . . . . . . A 59 LYS CA . 19428 1 643 . 1 1 59 59 LYS CB C 13 32.395 . . . . . . A 59 LYS CB . 19428 1 644 . 1 1 59 59 LYS CG C 13 24.842 . . . . . . A 59 LYS CG . 19428 1 645 . 1 1 59 59 LYS CD C 13 29.210 . . . . . . A 59 LYS CD . 19428 1 646 . 1 1 59 59 LYS CE C 13 41.769 . . . . . . A 59 LYS CE . 19428 1 647 . 1 1 59 59 LYS N N 15 119.811 . . . . . . A 59 LYS N . 19428 1 648 . 1 1 60 60 ARG H H 1 7.731 . . . . . . A 60 ARG H . 19428 1 649 . 1 1 60 60 ARG HA H 1 4.301 . . . . . . A 60 ARG HA . 19428 1 650 . 1 1 60 60 ARG HB2 H 1 1.826 . . . . . . A 60 ARG HB2 . 19428 1 651 . 1 1 60 60 ARG HB3 H 1 1.816 . . . . . . A 60 ARG HB3 . 19428 1 652 . 1 1 60 60 ARG HG2 H 1 1.701 . . . . . . A 60 ARG HG2 . 19428 1 653 . 1 1 60 60 ARG HG3 H 1 1.701 . . . . . . A 60 ARG HG3 . 19428 1 654 . 1 1 60 60 ARG HD2 H 1 3.198 . . . . . . A 60 ARG HD2 . 19428 1 655 . 1 1 60 60 ARG HD3 H 1 3.207 . . . . . . A 60 ARG HD3 . 19428 1 656 . 1 1 60 60 ARG C C 13 176.827 . . . . . . A 60 ARG C . 19428 1 657 . 1 1 60 60 ARG CA C 13 57.512 . . . . . . A 60 ARG CA . 19428 1 658 . 1 1 60 60 ARG CB C 13 30.869 . . . . . . A 60 ARG CB . 19428 1 659 . 1 1 60 60 ARG CG C 13 27.845 . . . . . . A 60 ARG CG . 19428 1 660 . 1 1 60 60 ARG CD C 13 43.316 . . . . . . A 60 ARG CD . 19428 1 661 . 1 1 60 60 ARG N N 15 116.332 . . . . . . A 60 ARG N . 19428 1 662 . 1 1 61 61 ASN H H 1 7.272 . . . . . . A 61 ASN H . 19428 1 663 . 1 1 61 61 ASN HA H 1 4.819 . . . . . . A 61 ASN HA . 19428 1 664 . 1 1 61 61 ASN HB2 H 1 1.834 . . . . . . A 61 ASN HB2 . 19428 1 665 . 1 1 61 61 ASN HB3 H 1 2.771 . . . . . . A 61 ASN HB3 . 19428 1 666 . 1 1 61 61 ASN C C 13 173.907 . . . . . . A 61 ASN C . 19428 1 667 . 1 1 61 61 ASN CA C 13 53.326 . . . . . . A 61 ASN CA . 19428 1 668 . 1 1 61 61 ASN CB C 13 39.467 . . . . . . A 61 ASN CB . 19428 1 669 . 1 1 61 61 ASN N N 15 115.844 . . . . . . A 61 ASN N . 19428 1 670 . 1 1 62 62 GLY H H 1 7.550 . . . . . . A 62 GLY H . 19428 1 671 . 1 1 62 62 GLY HA2 H 1 3.660 . . . . . . A 62 GLY HA2 . 19428 1 672 . 1 1 62 62 GLY HA3 H 1 4.061 . . . . . . A 62 GLY HA3 . 19428 1 673 . 1 1 62 62 GLY C C 13 176.003 . . . . . . A 62 GLY C . 19428 1 674 . 1 1 62 62 GLY CA C 13 46.263 . . . . . . A 62 GLY CA . 19428 1 675 . 1 1 62 62 GLY N N 15 103.383 . . . . . . A 62 GLY N . 19428 1 676 . 1 1 63 63 GLY H H 1 8.981 . . . . . . A 63 GLY H . 19428 1 677 . 1 1 63 63 GLY HA2 H 1 3.064 . . . . . . A 63 GLY HA2 . 19428 1 678 . 1 1 63 63 GLY HA3 H 1 4.182 . . . . . . A 63 GLY HA3 . 19428 1 679 . 1 1 63 63 GLY C C 13 172.971 . . . . . . A 63 GLY C . 19428 1 680 . 1 1 63 63 GLY CA C 13 45.444 . . . . . . A 63 GLY CA . 19428 1 681 . 1 1 63 63 GLY N N 15 109.233 . . . . . . A 63 GLY N . 19428 1 682 . 1 1 64 64 ILE H H 1 9.929 . . . . . . A 64 ILE H . 19428 1 683 . 1 1 64 64 ILE HA H 1 4.320 . . . . . . A 64 ILE HA . 19428 1 684 . 1 1 64 64 ILE HB H 1 1.605 . . . . . . A 64 ILE HB . 19428 1 685 . 1 1 64 64 ILE HG12 H 1 1.079 . . . . . . A 64 ILE HG12 . 19428 1 686 . 1 1 64 64 ILE HG13 H 1 1.079 . . . . . . A 64 ILE HG13 . 19428 1 687 . 1 1 64 64 ILE HG21 H 1 0.897 . . . . . . A 64 ILE HG21 . 19428 1 688 . 1 1 64 64 ILE HG22 H 1 0.897 . . . . . . A 64 ILE HG22 . 19428 1 689 . 1 1 64 64 ILE HG23 H 1 0.897 . . . . . . A 64 ILE HG23 . 19428 1 690 . 1 1 64 64 ILE HD11 H 1 0.830 . . . . . . A 64 ILE HD11 . 19428 1 691 . 1 1 64 64 ILE HD12 H 1 0.830 . . . . . . A 64 ILE HD12 . 19428 1 692 . 1 1 64 64 ILE HD13 H 1 0.830 . . . . . . A 64 ILE HD13 . 19428 1 693 . 1 1 64 64 ILE C C 13 175.292 . . . . . . A 64 ILE C . 19428 1 694 . 1 1 64 64 ILE CA C 13 60.347 . . . . . . A 64 ILE CA . 19428 1 695 . 1 1 64 64 ILE CB C 13 39.858 . . . . . . A 64 ILE CB . 19428 1 696 . 1 1 64 64 ILE CG1 C 13 27.117 . . . . . . A 64 ILE CG1 . 19428 1 697 . 1 1 64 64 ILE CG2 C 13 17.015 . . . . . . A 64 ILE CG2 . 19428 1 698 . 1 1 64 64 ILE CD1 C 13 12.556 . . . . . . A 64 ILE CD1 . 19428 1 699 . 1 1 64 64 ILE N N 15 131.154 . . . . . . A 64 ILE N . 19428 1 700 . 1 1 65 65 LYS H H 1 8.646 . . . . . . A 65 LYS H . 19428 1 701 . 1 1 65 65 LYS HA H 1 4.148 . . . . . . A 65 LYS HA . 19428 1 702 . 1 1 65 65 LYS HB2 H 1 1.528 . . . . . . A 65 LYS HB2 . 19428 1 703 . 1 1 65 65 LYS HB3 H 1 1.528 . . . . . . A 65 LYS HB3 . 19428 1 704 . 1 1 65 65 LYS HG2 H 1 1.298 . . . . . . A 65 LYS HG2 . 19428 1 705 . 1 1 65 65 LYS HG3 H 1 1.356 . . . . . . A 65 LYS HG3 . 19428 1 706 . 1 1 65 65 LYS HD2 H 1 1.365 . . . . . . A 65 LYS HD2 . 19428 1 707 . 1 1 65 65 LYS HD3 H 1 1.394 . . . . . . A 65 LYS HD3 . 19428 1 708 . 1 1 65 65 LYS HE2 H 1 2.771 . . . . . . A 65 LYS HE2 . 19428 1 709 . 1 1 65 65 LYS HE3 H 1 2.771 . . . . . . A 65 LYS HE3 . 19428 1 710 . 1 1 65 65 LYS C C 13 176.041 . . . . . . A 65 LYS C . 19428 1 711 . 1 1 65 65 LYS CA C 13 56.148 . . . . . . A 65 LYS CA . 19428 1 712 . 1 1 65 65 LYS CB C 13 33.032 . . . . . . A 65 LYS CB . 19428 1 713 . 1 1 65 65 LYS CG C 13 25.115 . . . . . . A 65 LYS CG . 19428 1 714 . 1 1 65 65 LYS CD C 13 28.755 . . . . . . A 65 LYS CD . 19428 1 715 . 1 1 65 65 LYS CE C 13 41.405 . . . . . . A 65 LYS CE . 19428 1 716 . 1 1 65 65 LYS N N 15 127.685 . . . . . . A 65 LYS N . 19428 1 717 . 1 1 67 67 LEU CA C 13 55.417 . . . . . . A 67 LEU CA . 19428 1 718 . 1 1 67 67 LEU CB C 13 41.711 . . . . . . A 67 LEU CB . 19428 1 719 . 1 1 68 68 THR H H 1 8.345 . . . . . . A 68 THR H . 19428 1 720 . 1 1 68 68 THR HA H 1 4.296 . . . . . . A 68 THR HA . 19428 1 721 . 1 1 68 68 THR HB H 1 4.195 . . . . . . A 68 THR HB . 19428 1 722 . 1 1 68 68 THR HG21 H 1 1.174 . . . . . . A 68 THR HG21 . 19428 1 723 . 1 1 68 68 THR HG22 H 1 1.174 . . . . . . A 68 THR HG22 . 19428 1 724 . 1 1 68 68 THR HG23 H 1 1.174 . . . . . . A 68 THR HG23 . 19428 1 725 . 1 1 68 68 THR CA C 13 61.608 . . . . . . A 68 THR CA . 19428 1 726 . 1 1 68 68 THR CB C 13 69.946 . . . . . . A 68 THR CB . 19428 1 727 . 1 1 68 68 THR CG2 C 13 21.475 . . . . . . A 68 THR CG2 . 19428 1 728 . 1 1 68 68 THR N N 15 113.800 . . . . . . A 68 THR N . 19428 1 729 . 1 1 69 69 LYS H H 1 9.300 . . . . . . A 69 LYS H . 19428 1 730 . 1 1 69 69 LYS HA H 1 4.166 . . . . . . A 69 LYS HA . 19428 1 731 . 1 1 69 69 LYS HB2 H 1 1.711 . . . . . . A 69 LYS HB2 . 19428 1 732 . 1 1 69 69 LYS HB3 H 1 1.826 . . . . . . A 69 LYS HB3 . 19428 1 733 . 1 1 69 69 LYS HG2 H 1 1.576 . . . . . . A 69 LYS HG2 . 19428 1 734 . 1 1 69 69 LYS HG3 H 1 1.547 . . . . . . A 69 LYS HG3 . 19428 1 735 . 1 1 69 69 LYS HD2 H 1 1.705 . . . . . . A 69 LYS HD2 . 19428 1 736 . 1 1 69 69 LYS HD3 H 1 1.823 . . . . . . A 69 LYS HD3 . 19428 1 737 . 1 1 69 69 LYS HE2 H 1 3.155 . . . . . . A 69 LYS HE2 . 19428 1 738 . 1 1 69 69 LYS HE3 H 1 3.155 . . . . . . A 69 LYS HE3 . 19428 1 739 . 1 1 69 69 LYS C C 13 175.100 . . . . . . A 69 LYS C . 19428 1 740 . 1 1 69 69 LYS CA C 13 57.519 . . . . . . A 69 LYS CA . 19428 1 741 . 1 1 69 69 LYS CB C 13 31.295 . . . . . . A 69 LYS CB . 19428 1 742 . 1 1 69 69 LYS CG C 13 26.935 . . . . . . A 69 LYS CG . 19428 1 743 . 1 1 69 69 LYS CD C 13 31.121 . . . . . . A 69 LYS CD . 19428 1 744 . 1 1 69 69 LYS CE C 13 43.316 . . . . . . A 69 LYS CE . 19428 1 745 . 1 1 69 69 LYS N N 15 127.520 . . . . . . A 69 LYS N . 19428 1 746 . 1 1 70 70 VAL H H 1 8.073 . . . . . . A 70 VAL H . 19428 1 747 . 1 1 70 70 VAL CA C 13 61.996 . . . . . . A 70 VAL CA . 19428 1 748 . 1 1 70 70 VAL CB C 13 32.848 . . . . . . A 70 VAL CB . 19428 1 749 . 1 1 70 70 VAL N N 15 122.809 . . . . . . A 70 VAL N . 19428 1 750 . 1 1 71 71 LEU H H 1 8.470 . . . . . . A 71 LEU H . 19428 1 751 . 1 1 71 71 LEU C C 13 176.150 . . . . . . A 71 LEU C . 19428 1 752 . 1 1 71 71 LEU CA C 13 54.503 . . . . . . A 71 LEU CA . 19428 1 753 . 1 1 71 71 LEU CB C 13 41.437 . . . . . . A 71 LEU CB . 19428 1 754 . 1 1 71 71 LEU N N 15 126.600 . . . . . . A 71 LEU N . 19428 1 stop_ save_