data_11530 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11530 _Entry.Title ; chitin binding domain1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-08-19 _Entry.Accession_date 2013-08-19 _Entry.Last_release_date 2014-04-22 _Entry.Original_release_date 2014-04-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1.1.44 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 30 STRUCTURES' _Entry.Details 'NMR structure of chitin binding domain1' _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 Koichi Uegaki . . . 11530 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' . 11530 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'cnitin binding domain' . 11530 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11530 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 302 11530 '15N chemical shifts' 75 11530 '1H chemical shifts' 449 11530 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 . . 2014-04-22 2013-08-19 original author . 11530 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11530 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24272751 _Citation.Full_citation . _Citation.Title 'Solution structure of the chitin-binding domain 1 (ChBD1) of a hyperthermophilic chitinase from Pyrococcus furiosus' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biochem.' _Citation.Journal_name_full . _Citation.Journal_volume 155 _Citation.Journal_issue 2 _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 115 _Citation.Page_last 122 _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 Shouhei Mine . . . 11530 1 2 Tsutomu Nakamura . . . 11530 1 3 Takaaki Sato . . . 11530 1 4 Takahisa Ikegami . . . 11530 1 5 Koichi Uegaki . . . 11530 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11530 _Assembly.ID 1 _Assembly.Name 'chitin binding domain1' _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 . . . 11530 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2RTS . . . . 'Structure from this entry' . 11530 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 11530 _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 ; GPSTSMENLVSLQNLLVYVN WSSYPKYEPGKEYNQGDIVE YNGKLYKAKYWTTSPPSDDP YGSWEYLGEAEPT ; _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 73 _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 8352.153 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 PDB 2RTS . "Chitin Binding Domain1" . . . . . 100.00 73 100.00 100.00 3.95e-43 . . . . 11530 1 2 no GB AAL81358 . "putative chitinase [Pyrococcus furiosus DSM 3638]" . . . . . 97.26 345 100.00 100.00 9.31e-40 . . . . 11530 1 3 no GB AFN04021 . "chitinase [Pyrococcus furiosus COM1]" . . . . . 97.26 345 100.00 100.00 9.31e-40 . . . . 11530 1 4 no REF WP_011012377 . "chitinase [Pyrococcus furiosus]" . . . . . 97.26 345 100.00 100.00 9.31e-40 . . . . 11530 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 11530 1 2 2 PRO . 11530 1 3 3 SER . 11530 1 4 4 THR . 11530 1 5 5 SER . 11530 1 6 6 MET . 11530 1 7 7 GLU . 11530 1 8 8 ASN . 11530 1 9 9 LEU . 11530 1 10 10 VAL . 11530 1 11 11 SER . 11530 1 12 12 LEU . 11530 1 13 13 GLN . 11530 1 14 14 ASN . 11530 1 15 15 LEU . 11530 1 16 16 LEU . 11530 1 17 17 VAL . 11530 1 18 18 TYR . 11530 1 19 19 VAL . 11530 1 20 20 ASN . 11530 1 21 21 TRP . 11530 1 22 22 SER . 11530 1 23 23 SER . 11530 1 24 24 TYR . 11530 1 25 25 PRO . 11530 1 26 26 LYS . 11530 1 27 27 TYR . 11530 1 28 28 GLU . 11530 1 29 29 PRO . 11530 1 30 30 GLY . 11530 1 31 31 LYS . 11530 1 32 32 GLU . 11530 1 33 33 TYR . 11530 1 34 34 ASN . 11530 1 35 35 GLN . 11530 1 36 36 GLY . 11530 1 37 37 ASP . 11530 1 38 38 ILE . 11530 1 39 39 VAL . 11530 1 40 40 GLU . 11530 1 41 41 TYR . 11530 1 42 42 ASN . 11530 1 43 43 GLY . 11530 1 44 44 LYS . 11530 1 45 45 LEU . 11530 1 46 46 TYR . 11530 1 47 47 LYS . 11530 1 48 48 ALA . 11530 1 49 49 LYS . 11530 1 50 50 TYR . 11530 1 51 51 TRP . 11530 1 52 52 THR . 11530 1 53 53 THR . 11530 1 54 54 SER . 11530 1 55 55 PRO . 11530 1 56 56 PRO . 11530 1 57 57 SER . 11530 1 58 58 ASP . 11530 1 59 59 ASP . 11530 1 60 60 PRO . 11530 1 61 61 TYR . 11530 1 62 62 GLY . 11530 1 63 63 SER . 11530 1 64 64 TRP . 11530 1 65 65 GLU . 11530 1 66 66 TYR . 11530 1 67 67 LEU . 11530 1 68 68 GLY . 11530 1 69 69 GLU . 11530 1 70 70 ALA . 11530 1 71 71 GLU . 11530 1 72 72 PRO . 11530 1 73 73 THR . 11530 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 11530 1 . PRO 2 2 11530 1 . SER 3 3 11530 1 . THR 4 4 11530 1 . SER 5 5 11530 1 . MET 6 6 11530 1 . GLU 7 7 11530 1 . ASN 8 8 11530 1 . LEU 9 9 11530 1 . VAL 10 10 11530 1 . SER 11 11 11530 1 . LEU 12 12 11530 1 . GLN 13 13 11530 1 . ASN 14 14 11530 1 . LEU 15 15 11530 1 . LEU 16 16 11530 1 . VAL 17 17 11530 1 . TYR 18 18 11530 1 . VAL 19 19 11530 1 . ASN 20 20 11530 1 . TRP 21 21 11530 1 . SER 22 22 11530 1 . SER 23 23 11530 1 . TYR 24 24 11530 1 . PRO 25 25 11530 1 . LYS 26 26 11530 1 . TYR 27 27 11530 1 . GLU 28 28 11530 1 . PRO 29 29 11530 1 . GLY 30 30 11530 1 . LYS 31 31 11530 1 . GLU 32 32 11530 1 . TYR 33 33 11530 1 . ASN 34 34 11530 1 . GLN 35 35 11530 1 . GLY 36 36 11530 1 . ASP 37 37 11530 1 . ILE 38 38 11530 1 . VAL 39 39 11530 1 . GLU 40 40 11530 1 . TYR 41 41 11530 1 . ASN 42 42 11530 1 . GLY 43 43 11530 1 . LYS 44 44 11530 1 . LEU 45 45 11530 1 . TYR 46 46 11530 1 . LYS 47 47 11530 1 . ALA 48 48 11530 1 . LYS 49 49 11530 1 . TYR 50 50 11530 1 . TRP 51 51 11530 1 . THR 52 52 11530 1 . THR 53 53 11530 1 . SER 54 54 11530 1 . PRO 55 55 11530 1 . PRO 56 56 11530 1 . SER 57 57 11530 1 . ASP 58 58 11530 1 . ASP 59 59 11530 1 . PRO 60 60 11530 1 . TYR 61 61 11530 1 . GLY 62 62 11530 1 . SER 63 63 11530 1 . TRP 64 64 11530 1 . GLU 65 65 11530 1 . TYR 66 66 11530 1 . LEU 67 67 11530 1 . GLY 68 68 11530 1 . GLU 69 69 11530 1 . ALA 70 70 11530 1 . GLU 71 71 11530 1 . PRO 72 72 11530 1 . THR 73 73 11530 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 11530 _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 . 2261 organism . 'Pyrococcus furiosus' 'Pyrococcus furiosus' . . Archaea . Pyrococcus furiosus . . . . . . . . . . . . . . . . . . . . . 11530 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 11530 _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' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . pet21 . . . . . . 11530 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11530 _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 MES '[U-100% 15N]' . . 1 $entity . protein 1 . . mM . . . . 11530 1 2 MES '[U-100% 13C; U-100% 15N]' . . . . . . 1 . . mM . . . . 11530 1 3 MES 'natural abundance' . . . . . . 1 . . mM . . . . 11530 1 4 H2O . . . . . . solvent 90 . . % . . . . 11530 1 5 D2O . . . . . . solvent 10 . . % . . . . 11530 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 11530 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 11530 1 pH 6.0 . pH 11530 1 pressure 1 . atm 11530 1 temperature 298 . K 11530 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11530 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11530 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11530 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 11530 _NMR_spectrometer.ID 1 _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 11530 _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 . 600 . . . 11530 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 11530 _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 . . . . . . . . . . . . . . . . 11530 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11530 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11530 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11530 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11530 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11530 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11530 1 8 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11530 1 9 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11530 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11530 1 11 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11530 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 11530 _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 0.00 na indirect 0.251449530 . . . . . . . . . 11530 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 11530 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 11530 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 11530 _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 '2D 1H-15N HSQC' 1 $sample_1 isotropic 11530 1 2 '3D CBCA(CO)NH' 1 $sample_1 isotropic 11530 1 3 '3D HNCACB' 1 $sample_1 isotropic 11530 1 4 '3D HNCO' 1 $sample_1 isotropic 11530 1 5 '3D C(CO)NH' 1 $sample_1 isotropic 11530 1 6 '3D HBHA(CO)NH' 1 $sample_1 isotropic 11530 1 7 '3D H(CCO)NH' 1 $sample_1 isotropic 11530 1 8 '2D 1H-13C HSQC' 1 $sample_1 isotropic 11530 1 10 '3D HCCH-TOCSY' 1 $sample_1 isotropic 11530 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 PRO HA H 1 4.478 0.02 . 1 . . . A 2 PRO HA . 11530 1 2 . 1 1 2 2 PRO HB2 H 1 1.962 0.02 . 2 . . . A 2 PRO HB2 . 11530 1 3 . 1 1 2 2 PRO HB3 H 1 2.279 0.02 . 2 . . . A 2 PRO HB3 . 11530 1 4 . 1 1 2 2 PRO HG2 H 1 1.975 0.02 . 2 . . . A 2 PRO HG2 . 11530 1 5 . 1 1 2 2 PRO HD2 H 1 3.559 0.02 . 2 . . . A 2 PRO HD2 . 11530 1 6 . 1 1 2 2 PRO C C 13 177.0 0.23 . 1 . . . A 2 PRO C . 11530 1 7 . 1 1 2 2 PRO CA C 13 63.128 0.23 . 1 . . . A 2 PRO CA . 11530 1 8 . 1 1 2 2 PRO CB C 13 32.345 0.23 . 1 . . . A 2 PRO CB . 11530 1 9 . 1 1 2 2 PRO CG C 13 26.965 0.23 . 1 . . . A 2 PRO CG . 11530 1 10 . 1 1 2 2 PRO CD C 13 49.617 0.23 . 1 . . . A 2 PRO CD . 11530 1 11 . 1 1 3 3 SER H H 1 8.581 0.02 . 1 . . . A 3 SER H . 11530 1 12 . 1 1 3 3 SER HA H 1 4.502 0.02 . 1 . . . A 3 SER HA . 11530 1 13 . 1 1 3 3 SER HB2 H 1 3.883 0.02 . 2 . . . A 3 SER HB2 . 11530 1 14 . 1 1 3 3 SER C C 13 174.9 0.23 . 1 . . . A 3 SER C . 11530 1 15 . 1 1 3 3 SER CA C 13 58.343 0.23 . 1 . . . A 3 SER CA . 11530 1 16 . 1 1 3 3 SER CB C 13 63.566 0.23 . 1 . . . A 3 SER CB . 11530 1 17 . 1 1 3 3 SER N N 15 116.411 0.12 . 1 . . . A 3 SER N . 11530 1 18 . 1 1 4 4 THR H H 1 8.186 0.02 . 1 . . . A 4 THR H . 11530 1 19 . 1 1 4 4 THR HA H 1 4.367 0.02 . 1 . . . A 4 THR HA . 11530 1 20 . 1 1 4 4 THR HB H 1 4.258 0.02 . 1 . . . A 4 THR HB . 11530 1 21 . 1 1 4 4 THR HG21 H 1 1.182 0.02 . 1 . . . A 4 THR HG21 . 11530 1 22 . 1 1 4 4 THR HG22 H 1 1.182 0.02 . 1 . . . A 4 THR HG22 . 11530 1 23 . 1 1 4 4 THR HG23 H 1 1.182 0.02 . 1 . . . A 4 THR HG23 . 11530 1 24 . 1 1 4 4 THR C C 13 174.6 0.23 . 1 . . . A 4 THR C . 11530 1 25 . 1 1 4 4 THR CA C 13 61.803 0.23 . 1 . . . A 4 THR CA . 11530 1 26 . 1 1 4 4 THR CB C 13 70.104 0.23 . 1 . . . A 4 THR CB . 11530 1 27 . 1 1 4 4 THR CG2 C 13 21.539 0.23 . 1 . . . A 4 THR CG2 . 11530 1 28 . 1 1 4 4 THR N N 15 115.807 0.12 . 1 . . . A 4 THR N . 11530 1 29 . 1 1 5 5 SER H H 1 8.327 0.02 . 1 . . . A 5 SER H . 11530 1 30 . 1 1 5 5 SER HA H 1 4.425 0.02 . 1 . . . A 5 SER HA . 11530 1 31 . 1 1 5 5 SER HB2 H 1 3.848 0.02 . 2 . . . A 5 SER HB2 . 11530 1 32 . 1 1 5 5 SER C C 13 174.8 0.23 . 1 . . . A 5 SER C . 11530 1 33 . 1 1 5 5 SER CA C 13 58.408 0.23 . 1 . . . A 5 SER CA . 11530 1 34 . 1 1 5 5 SER CB C 13 63.396 0.23 . 1 . . . A 5 SER CB . 11530 1 35 . 1 1 5 5 SER N N 15 117.937 0.12 . 1 . . . A 5 SER N . 11530 1 36 . 1 1 6 6 MET H H 1 8.433 0.02 . 1 . . . A 6 MET H . 11530 1 37 . 1 1 6 6 MET HA H 1 4.449 0.02 . 1 . . . A 6 MET HA . 11530 1 38 . 1 1 6 6 MET HB2 H 1 2.099 0.02 . 2 . . . A 6 MET HB2 . 11530 1 39 . 1 1 6 6 MET HB3 H 1 1.974 0.02 . 2 . . . A 6 MET HB3 . 11530 1 40 . 1 1 6 6 MET HG2 H 1 2.593 0.02 . 2 . . . A 6 MET HG2 . 11530 1 41 . 1 1 6 6 MET HG3 H 1 2.511 0.02 . 2 . . . A 6 MET HG3 . 11530 1 42 . 1 1 6 6 MET C C 13 176.5 0.23 . 1 . . . A 6 MET C . 11530 1 43 . 1 1 6 6 MET CA C 13 55.794 0.23 . 1 . . . A 6 MET CA . 11530 1 44 . 1 1 6 6 MET CB C 13 32.435 0.23 . 1 . . . A 6 MET CB . 11530 1 45 . 1 1 6 6 MET CG C 13 32.109 0.23 . 1 . . . A 6 MET CG . 11530 1 46 . 1 1 6 6 MET N N 15 122.325 0.12 . 1 . . . A 6 MET N . 11530 1 47 . 1 1 7 7 GLU H H 1 8.369 0.02 . 1 . . . A 7 GLU H . 11530 1 48 . 1 1 7 7 GLU HA H 1 4.171 0.02 . 1 . . . A 7 GLU HA . 11530 1 49 . 1 1 7 7 GLU HB2 H 1 1.985 0.02 . 2 . . . A 7 GLU HB2 . 11530 1 50 . 1 1 7 7 GLU HB3 H 1 1.910 0.02 . 2 . . . A 7 GLU HB3 . 11530 1 51 . 1 1 7 7 GLU HG2 H 1 2.214 0.02 . 2 . . . A 7 GLU HG2 . 11530 1 52 . 1 1 7 7 GLU HG3 H 1 2.209 0.02 . 2 . . . A 7 GLU HG3 . 11530 1 53 . 1 1 7 7 GLU C C 13 176.4 0.23 . 1 . . . A 7 GLU C . 11530 1 54 . 1 1 7 7 GLU CA C 13 57.130 0.23 . 1 . . . A 7 GLU CA . 11530 1 55 . 1 1 7 7 GLU CB C 13 30.132 0.23 . 1 . . . A 7 GLU CB . 11530 1 56 . 1 1 7 7 GLU CG C 13 36.282 0.23 . 1 . . . A 7 GLU CG . 11530 1 57 . 1 1 7 7 GLU N N 15 121.11 0.12 . 1 . . . A 7 GLU N . 11530 1 58 . 1 1 8 8 ASN H H 1 8.353 0.02 . 1 . . . A 8 ASN H . 11530 1 59 . 1 1 8 8 ASN HA H 1 4.635 0.02 . 1 . . . A 8 ASN HA . 11530 1 60 . 1 1 8 8 ASN HB2 H 1 2.811 0.02 . 2 . . . A 8 ASN HB2 . 11530 1 61 . 1 1 8 8 ASN HB3 H 1 2.726 0.02 . 2 . . . A 8 ASN HB3 . 11530 1 62 . 1 1 8 8 ASN HD21 H 1 7.565 0.02 . 1 . . . A 8 ASN HD21 . 11530 1 63 . 1 1 8 8 ASN HD22 H 1 6.876 0.02 . 1 . . . A 8 ASN HD22 . 11530 1 64 . 1 1 8 8 ASN C C 13 175.1 0.23 . 1 . . . A 8 ASN C . 11530 1 65 . 1 1 8 8 ASN CA C 13 53.508 0.23 . 1 . . . A 8 ASN CA . 11530 1 66 . 1 1 8 8 ASN CB C 13 38.728 0.23 . 1 . . . A 8 ASN CB . 11530 1 67 . 1 1 8 8 ASN N N 15 118.91 0.12 . 1 . . . A 8 ASN N . 11530 1 68 . 1 1 8 8 ASN ND2 N 15 112.785 0.12 . 1 . . . A 8 ASN ND2 . 11530 1 69 . 1 1 9 9 LEU H H 1 8.091 0.02 . 1 . . . A 9 LEU H . 11530 1 70 . 1 1 9 9 LEU HA H 1 4.282 0.02 . 1 . . . A 9 LEU HA . 11530 1 71 . 1 1 9 9 LEU HB2 H 1 1.644 0.02 . 2 . . . A 9 LEU HB2 . 11530 1 72 . 1 1 9 9 LEU HB3 H 1 1.565 0.02 . 2 . . . A 9 LEU HB3 . 11530 1 73 . 1 1 9 9 LEU HG H 1 1.579 0.02 . 1 . . . A 9 LEU HG . 11530 1 74 . 1 1 9 9 LEU HD11 H 1 0.840 0.02 . 2 . . . A 9 LEU HD11 . 11530 1 75 . 1 1 9 9 LEU HD12 H 1 0.840 0.02 . 2 . . . A 9 LEU HD12 . 11530 1 76 . 1 1 9 9 LEU HD13 H 1 0.840 0.02 . 2 . . . A 9 LEU HD13 . 11530 1 77 . 1 1 9 9 LEU HD21 H 1 0.840 0.02 . 2 . . . A 9 LEU HD21 . 11530 1 78 . 1 1 9 9 LEU HD22 H 1 0.840 0.02 . 2 . . . A 9 LEU HD22 . 11530 1 79 . 1 1 9 9 LEU HD23 H 1 0.840 0.02 . 2 . . . A 9 LEU HD23 . 11530 1 80 . 1 1 9 9 LEU C C 13 177.7 0.23 . 1 . . . A 9 LEU C . 11530 1 81 . 1 1 9 9 LEU CA C 13 55.745 0.23 . 1 . . . A 9 LEU CA . 11530 1 82 . 1 1 9 9 LEU CB C 13 42.181 0.23 . 1 . . . A 9 LEU CB . 11530 1 83 . 1 1 9 9 LEU CG C 13 26.932 0.23 . 1 . . . A 9 LEU CG . 11530 1 84 . 1 1 9 9 LEU CD1 C 13 25.001 0.23 . 1 . . . A 9 LEU CD1 . 11530 1 85 . 1 1 9 9 LEU CD2 C 13 23.426 0.23 . 1 . . . A 9 LEU CD2 . 11530 1 86 . 1 1 9 9 LEU N N 15 122.402 0.12 . 1 . . . A 9 LEU N . 11530 1 87 . 1 1 10 10 VAL H H 1 8.041 0.02 . 1 . . . A 10 VAL H . 11530 1 88 . 1 1 10 10 VAL HA H 1 4.018 0.02 . 1 . . . A 10 VAL HA . 11530 1 89 . 1 1 10 10 VAL HB H 1 2.046 0.02 . 1 . . . A 10 VAL HB . 11530 1 90 . 1 1 10 10 VAL HG11 H 1 0.900 0.02 . 1 . . . A 10 VAL HG11 . 11530 1 91 . 1 1 10 10 VAL HG12 H 1 0.900 0.02 . 1 . . . A 10 VAL HG12 . 11530 1 92 . 1 1 10 10 VAL HG13 H 1 0.900 0.02 . 1 . . . A 10 VAL HG13 . 11530 1 93 . 1 1 10 10 VAL HG21 H 1 0.891 0.02 . 1 . . . A 10 VAL HG21 . 11530 1 94 . 1 1 10 10 VAL HG22 H 1 0.891 0.02 . 1 . . . A 10 VAL HG22 . 11530 1 95 . 1 1 10 10 VAL HG23 H 1 0.891 0.02 . 1 . . . A 10 VAL HG23 . 11530 1 96 . 1 1 10 10 VAL C C 13 176.4 0.23 . 1 . . . A 10 VAL C . 11530 1 97 . 1 1 10 10 VAL CA C 13 62.955 0.23 . 1 . . . A 10 VAL CA . 11530 1 98 . 1 1 10 10 VAL CB C 13 32.540 0.23 . 1 . . . A 10 VAL CB . 11530 1 99 . 1 1 10 10 VAL CG1 C 13 21.029 0.23 . 2 . . . A 10 VAL CG1 . 11530 1 100 . 1 1 10 10 VAL N N 15 120.545 0.12 . 1 . . . A 10 VAL N . 11530 1 101 . 1 1 11 11 SER H H 1 8.213 0.02 . 1 . . . A 11 SER H . 11530 1 102 . 1 1 11 11 SER HA H 1 4.402 0.02 . 1 . . . A 11 SER HA . 11530 1 103 . 1 1 11 11 SER HB2 H 1 3.838 0.02 . 2 . . . A 11 SER HB2 . 11530 1 104 . 1 1 11 11 SER C C 13 175.0 0.23 . 1 . . . A 11 SER C . 11530 1 105 . 1 1 11 11 SER CA C 13 58.419 0.23 . 1 . . . A 11 SER CA . 11530 1 106 . 1 1 11 11 SER CB C 13 63.515 0.23 . 1 . . . A 11 SER CB . 11530 1 107 . 1 1 11 11 SER N N 15 118.528 0.12 . 1 . . . A 11 SER N . 11530 1 108 . 1 1 12 12 LEU H H 1 8.201 0.02 . 1 . . . A 12 LEU H . 11530 1 109 . 1 1 12 12 LEU HA H 1 4.279 0.02 . 1 . . . A 12 LEU HA . 11530 1 110 . 1 1 12 12 LEU HB2 H 1 1.624 0.02 . 2 . . . A 12 LEU HB2 . 11530 1 111 . 1 1 12 12 LEU HG H 1 1.576 0.02 . 1 . . . A 12 LEU HG . 11530 1 112 . 1 1 12 12 LEU HD11 H 1 0.874 0.02 . 1 . . . A 12 LEU HD11 . 11530 1 113 . 1 1 12 12 LEU HD12 H 1 0.874 0.02 . 1 . . . A 12 LEU HD12 . 11530 1 114 . 1 1 12 12 LEU HD13 H 1 0.874 0.02 . 1 . . . A 12 LEU HD13 . 11530 1 115 . 1 1 12 12 LEU HD21 H 1 0.813 0.02 . 1 . . . A 12 LEU HD21 . 11530 1 116 . 1 1 12 12 LEU HD22 H 1 0.813 0.02 . 1 . . . A 12 LEU HD22 . 11530 1 117 . 1 1 12 12 LEU HD23 H 1 0.813 0.02 . 1 . . . A 12 LEU HD23 . 11530 1 118 . 1 1 12 12 LEU C C 13 177.8 0.23 . 1 . . . A 12 LEU C . 11530 1 119 . 1 1 12 12 LEU CA C 13 55.801 0.23 . 1 . . . A 12 LEU CA . 11530 1 120 . 1 1 12 12 LEU CB C 13 42.301 0.23 . 1 . . . A 12 LEU CB . 11530 1 121 . 1 1 12 12 LEU CG C 13 26.984 0.23 . 1 . . . A 12 LEU CG . 11530 1 122 . 1 1 12 12 LEU CD1 C 13 24.95 0.23 . 1 . . . A 12 LEU CD1 . 11530 1 123 . 1 1 12 12 LEU CD2 C 13 23.421 0.23 . 1 . . . A 12 LEU CD2 . 11530 1 124 . 1 1 12 12 LEU N N 15 124.01 0.12 . 1 . . . A 12 LEU N . 11530 1 125 . 1 1 13 13 GLN H H 1 8.203 0.02 . 1 . . . A 13 GLN H . 11530 1 126 . 1 1 13 13 GLN HA H 1 4.182 0.02 . 1 . . . A 13 GLN HA . 11530 1 127 . 1 1 13 13 GLN HB2 H 1 2.040 0.02 . 2 . . . A 13 GLN HB2 . 11530 1 128 . 1 1 13 13 GLN HB3 H 1 1.965 0.02 . 2 . . . A 13 GLN HB3 . 11530 1 129 . 1 1 13 13 GLN HG2 H 1 2.319 0.02 . 2 . . . A 13 GLN HG2 . 11530 1 130 . 1 1 13 13 GLN HE21 H 1 7.465 0.02 . 1 . . . A 13 GLN HE21 . 11530 1 131 . 1 1 13 13 GLN HE22 H 1 6.826 0.02 . 1 . . . A 13 GLN HE22 . 11530 1 132 . 1 1 13 13 GLN C C 13 176.0 0.23 . 1 . . . A 13 GLN C . 11530 1 133 . 1 1 13 13 GLN CA C 13 56.556 0.23 . 1 . . . A 13 GLN CA . 11530 1 134 . 1 1 13 13 GLN CB C 13 29.085 0.23 . 1 . . . A 13 GLN CB . 11530 1 135 . 1 1 13 13 GLN CG C 13 33.811 0.23 . 1 . . . A 13 GLN CG . 11530 1 136 . 1 1 13 13 GLN N N 15 119.473 0.12 . 1 . . . A 13 GLN N . 11530 1 137 . 1 1 13 13 GLN NE2 N 15 112.215 0.12 . 1 . . . A 13 GLN NE2 . 11530 1 138 . 1 1 14 14 ASN H H 1 8.256 0.02 . 1 . . . A 14 ASN H . 11530 1 139 . 1 1 14 14 ASN HA H 1 4.622 0.02 . 1 . . . A 14 ASN HA . 11530 1 140 . 1 1 14 14 ASN HB2 H 1 2.798 0.02 . 2 . . . A 14 ASN HB2 . 11530 1 141 . 1 1 14 14 ASN HB3 H 1 2.745 0.02 . 2 . . . A 14 ASN HB3 . 11530 1 142 . 1 1 14 14 ASN HD21 H 1 7.566 0.02 . 1 . . . A 14 ASN HD21 . 11530 1 143 . 1 1 14 14 ASN HD22 H 1 6.871 0.02 . 1 . . . A 14 ASN HD22 . 11530 1 144 . 1 1 14 14 ASN C C 13 175.1 0.23 . 1 . . . A 14 ASN C . 11530 1 145 . 1 1 14 14 ASN CA C 13 53.582 0.23 . 1 . . . A 14 ASN CA . 11530 1 146 . 1 1 14 14 ASN CB C 13 38.601 0.23 . 1 . . . A 14 ASN CB . 11530 1 147 . 1 1 14 14 ASN N N 15 118.654 0.12 . 1 . . . A 14 ASN N . 11530 1 148 . 1 1 14 14 ASN ND2 N 15 112.654 0.12 . 1 . . . A 14 ASN ND2 . 11530 1 149 . 1 1 15 15 LEU H H 1 8.020 0.02 . 1 . . . A 15 LEU H . 11530 1 150 . 1 1 15 15 LEU HA H 1 4.278 0.02 . 1 . . . A 15 LEU HA . 11530 1 151 . 1 1 15 15 LEU HB2 H 1 1.646 0.02 . 2 . . . A 15 LEU HB2 . 11530 1 152 . 1 1 15 15 LEU HB3 H 1 1.565 0.02 . 2 . . . A 15 LEU HB3 . 11530 1 153 . 1 1 15 15 LEU HG H 1 1.565 0.02 . 1 . . . A 15 LEU HG . 11530 1 154 . 1 1 15 15 LEU HD11 H 1 0.848 0.02 . 2 . . . A 15 LEU HD11 . 11530 1 155 . 1 1 15 15 LEU HD12 H 1 0.848 0.02 . 2 . . . A 15 LEU HD12 . 11530 1 156 . 1 1 15 15 LEU HD13 H 1 0.848 0.02 . 2 . . . A 15 LEU HD13 . 11530 1 157 . 1 1 15 15 LEU C C 13 177.2 0.23 . 1 . . . A 15 LEU C . 11530 1 158 . 1 1 15 15 LEU CA C 13 55.717 0.23 . 1 . . . A 15 LEU CA . 11530 1 159 . 1 1 15 15 LEU CB C 13 42.410 0.23 . 1 . . . A 15 LEU CB . 11530 1 160 . 1 1 15 15 LEU CG C 13 27.010 0.23 . 1 . . . A 15 LEU CG . 11530 1 161 . 1 1 15 15 LEU CD1 C 13 25.047 0.23 . 1 . . . A 15 LEU CD1 . 11530 1 162 . 1 1 15 15 LEU CD2 C 13 23.46 0.23 . 1 . . . A 15 LEU CD2 . 11530 1 163 . 1 1 15 15 LEU N N 15 121.788 0.12 . 1 . . . A 15 LEU N . 11530 1 164 . 1 1 16 16 LEU H H 1 8.043 0.02 . 1 . . . A 16 LEU H . 11530 1 165 . 1 1 16 16 LEU HA H 1 4.279 0.02 . 1 . . . A 16 LEU HA . 11530 1 166 . 1 1 16 16 LEU HB2 H 1 1.597 0.02 . 2 . . . A 16 LEU HB2 . 11530 1 167 . 1 1 16 16 LEU HB3 H 1 1.452 0.02 . 2 . . . A 16 LEU HB3 . 11530 1 168 . 1 1 16 16 LEU HG H 1 0.879 0.02 . 1 . . . A 16 LEU HG . 11530 1 169 . 1 1 16 16 LEU HD11 H 1 0.818 0.02 . 2 . . . A 16 LEU HD11 . 11530 1 170 . 1 1 16 16 LEU HD12 H 1 0.818 0.02 . 2 . . . A 16 LEU HD12 . 11530 1 171 . 1 1 16 16 LEU HD13 H 1 0.818 0.02 . 2 . . . A 16 LEU HD13 . 11530 1 172 . 1 1 16 16 LEU C C 13 177.0 0.23 . 1 . . . A 16 LEU C . 11530 1 173 . 1 1 16 16 LEU CA C 13 55.333 0.23 . 1 . . . A 16 LEU CA . 11530 1 174 . 1 1 16 16 LEU CB C 13 42.041 0.23 . 1 . . . A 16 LEU CB . 11530 1 175 . 1 1 16 16 LEU CG C 13 24.966 0.23 . 1 . . . A 16 LEU CG . 11530 1 176 . 1 1 16 16 LEU CD1 C 13 23.36 0.23 . 2 . . . A 16 LEU CD1 . 11530 1 177 . 1 1 16 16 LEU N N 15 121.756 0.12 . 1 . . . A 16 LEU N . 11530 1 178 . 1 1 17 17 VAL H H 1 7.759 0.02 . 1 . . . A 17 VAL H . 11530 1 179 . 1 1 17 17 VAL HA H 1 3.993 0.02 . 1 . . . A 17 VAL HA . 11530 1 180 . 1 1 17 17 VAL HB H 1 1.912 0.02 . 1 . . . A 17 VAL HB . 11530 1 181 . 1 1 17 17 VAL HG11 H 1 0.747 0.02 . 1 . . . A 17 VAL HG11 . 11530 1 182 . 1 1 17 17 VAL HG12 H 1 0.747 0.02 . 1 . . . A 17 VAL HG12 . 11530 1 183 . 1 1 17 17 VAL HG13 H 1 0.747 0.02 . 1 . . . A 17 VAL HG13 . 11530 1 184 . 1 1 17 17 VAL HG21 H 1 0.809 0.02 . 1 . . . A 17 VAL HG21 . 11530 1 185 . 1 1 17 17 VAL HG22 H 1 0.809 0.02 . 1 . . . A 17 VAL HG22 . 11530 1 186 . 1 1 17 17 VAL HG23 H 1 0.809 0.02 . 1 . . . A 17 VAL HG23 . 11530 1 187 . 1 1 17 17 VAL C C 13 175.6 0.23 . 1 . . . A 17 VAL C . 11530 1 188 . 1 1 17 17 VAL CA C 13 62.256 0.23 . 1 . . . A 17 VAL CA . 11530 1 189 . 1 1 17 17 VAL CB C 13 32.856 0.23 . 1 . . . A 17 VAL CB . 11530 1 190 . 1 1 17 17 VAL CG1 C 13 20.981 0.23 . 1 . . . A 17 VAL CG1 . 11530 1 191 . 1 1 17 17 VAL CG2 C 13 20.538 0.23 . 1 . . . A 17 VAL CG2 . 11530 1 192 . 1 1 17 17 VAL N N 15 119.777 0.12 . 1 . . . A 17 VAL N . 11530 1 193 . 1 1 18 18 TYR H H 1 8.106 0.02 . 1 . . . A 18 TYR H . 11530 1 194 . 1 1 18 18 TYR HA H 1 4.504 0.02 . 1 . . . A 18 TYR HA . 11530 1 195 . 1 1 18 18 TYR HB2 H 1 2.926 0.02 . 2 . . . A 18 TYR HB2 . 11530 1 196 . 1 1 18 18 TYR HB3 H 1 2.815 0.02 . 2 . . . A 18 TYR HB3 . 11530 1 197 . 1 1 18 18 TYR HD2 H 1 6.979 0.02 . 3 . . . A 18 TYR HD2 . 11530 1 198 . 1 1 18 18 TYR HE2 H 1 6.713 0.02 . 3 . . . A 18 TYR HE2 . 11530 1 199 . 1 1 18 18 TYR C C 13 175.6 0.23 . 1 . . . A 18 TYR C . 11530 1 200 . 1 1 18 18 TYR CA C 13 57.769 0.23 . 1 . . . A 18 TYR CA . 11530 1 201 . 1 1 18 18 TYR CB C 13 38.705 0.23 . 1 . . . A 18 TYR CB . 11530 1 202 . 1 1 18 18 TYR CD2 C 13 133.617 0.23 . 3 . . . A 18 TYR CD2 . 11530 1 203 . 1 1 18 18 TYR CE2 C 13 118.069 0.23 . 3 . . . A 18 TYR CE2 . 11530 1 204 . 1 1 18 18 TYR N N 15 123.488 0.12 . 1 . . . A 18 TYR N . 11530 1 205 . 1 1 19 19 VAL H H 1 7.854 0.02 . 1 . . . A 19 VAL H . 11530 1 206 . 1 1 19 19 VAL HA H 1 3.894 0.02 . 1 . . . A 19 VAL HA . 11530 1 207 . 1 1 19 19 VAL HB H 1 1.789 0.02 . 1 . . . A 19 VAL HB . 11530 1 208 . 1 1 19 19 VAL HG11 H 1 0.616 0.02 . 1 . . . A 19 VAL HG11 . 11530 1 209 . 1 1 19 19 VAL HG12 H 1 0.616 0.02 . 1 . . . A 19 VAL HG12 . 11530 1 210 . 1 1 19 19 VAL HG13 H 1 0.616 0.02 . 1 . . . A 19 VAL HG13 . 11530 1 211 . 1 1 19 19 VAL HG21 H 1 0.728 0.02 . 1 . . . A 19 VAL HG21 . 11530 1 212 . 1 1 19 19 VAL HG22 H 1 0.728 0.02 . 1 . . . A 19 VAL HG22 . 11530 1 213 . 1 1 19 19 VAL HG23 H 1 0.728 0.02 . 1 . . . A 19 VAL HG23 . 11530 1 214 . 1 1 19 19 VAL C C 13 175.2 0.23 . 1 . . . A 19 VAL C . 11530 1 215 . 1 1 19 19 VAL CA C 13 62.111 0.23 . 1 . . . A 19 VAL CA . 11530 1 216 . 1 1 19 19 VAL CB C 13 32.873 0.23 . 1 . . . A 19 VAL CB . 11530 1 217 . 1 1 19 19 VAL CG1 C 13 20.817 0.23 . 1 . . . A 19 VAL CG1 . 11530 1 218 . 1 1 19 19 VAL CG2 C 13 20.421 0.23 . 1 . . . A 19 VAL CG2 . 11530 1 219 . 1 1 19 19 VAL N N 15 121.81 0.12 . 1 . . . A 19 VAL N . 11530 1 220 . 1 1 20 20 ASN H H 1 8.216 0.02 . 1 . . . A 20 ASN H . 11530 1 221 . 1 1 20 20 ASN HA H 1 4.624 0.02 . 1 . . . A 20 ASN HA . 11530 1 222 . 1 1 20 20 ASN HB2 H 1 2.794 0.02 . 2 . . . A 20 ASN HB2 . 11530 1 223 . 1 1 20 20 ASN HB3 H 1 2.639 0.02 . 2 . . . A 20 ASN HB3 . 11530 1 224 . 1 1 20 20 ASN HD21 H 1 7.493 0.02 . 1 . . . A 20 ASN HD21 . 11530 1 225 . 1 1 20 20 ASN HD22 H 1 6.846 0.02 . 1 . . . A 20 ASN HD22 . 11530 1 226 . 1 1 20 20 ASN C C 13 175.0 0.23 . 1 . . . A 20 ASN C . 11530 1 227 . 1 1 20 20 ASN CA C 13 53.103 0.23 . 1 . . . A 20 ASN CA . 11530 1 228 . 1 1 20 20 ASN CB C 13 38.604 0.23 . 1 . . . A 20 ASN CB . 11530 1 229 . 1 1 20 20 ASN N N 15 121.506 0.12 . 1 . . . A 20 ASN N . 11530 1 230 . 1 1 20 20 ASN ND2 N 15 112.556 0.12 . 1 . . . A 20 ASN ND2 . 11530 1 231 . 1 1 21 21 TRP H H 1 8.079 0.02 . 1 . . . A 21 TRP H . 11530 1 232 . 1 1 21 21 TRP HA H 1 4.586 0.02 . 1 . . . A 21 TRP HA . 11530 1 233 . 1 1 21 21 TRP HB2 H 1 3.206 0.02 . 2 . . . A 21 TRP HB2 . 11530 1 234 . 1 1 21 21 TRP HB3 H 1 3.293 0.02 . 2 . . . A 21 TRP HB3 . 11530 1 235 . 1 1 21 21 TRP HD1 H 1 7.198 0.02 . 1 . . . A 21 TRP HD1 . 11530 1 236 . 1 1 21 21 TRP HE1 H 1 10.05 0.02 . 1 . . . A 21 TRP HE1 . 11530 1 237 . 1 1 21 21 TRP HE3 H 1 7.518 0.02 . 1 . . . A 21 TRP HE3 . 11530 1 238 . 1 1 21 21 TRP HZ2 H 1 7.363 0.02 . 1 . . . A 21 TRP HZ2 . 11530 1 239 . 1 1 21 21 TRP HZ3 H 1 7.12 0.02 . 1 . . . A 21 TRP HZ3 . 11530 1 240 . 1 1 21 21 TRP HH2 H 1 7.001 0.02 . 1 . . . A 21 TRP HH2 . 11530 1 241 . 1 1 21 21 TRP C C 13 176.2 0.23 . 1 . . . A 21 TRP C . 11530 1 242 . 1 1 21 21 TRP CA C 13 57.649 0.23 . 1 . . . A 21 TRP CA . 11530 1 243 . 1 1 21 21 TRP CB C 13 29.6817 0.23 . 1 . . . A 21 TRP CB . 11530 1 244 . 1 1 21 21 TRP CD1 C 13 127.088 0.23 . 1 . . . A 21 TRP CD1 . 11530 1 245 . 1 1 21 21 TRP CH2 C 13 121.757 0.23 . 1 . . . A 21 TRP CH2 . 11530 1 246 . 1 1 21 21 TRP N N 15 121.994 0.12 . 1 . . . A 21 TRP N . 11530 1 247 . 1 1 21 21 TRP NE1 N 15 129.36 0.12 . 1 . . . A 21 TRP NE1 . 11530 1 248 . 1 1 22 22 SER H H 1 8.0261 0.02 . 1 . . . A 22 SER H . 11530 1 249 . 1 1 22 22 SER HA H 1 4.298 0.02 . 1 . . . A 22 SER HA . 11530 1 250 . 1 1 22 22 SER HB2 H 1 3.678 0.02 . 2 . . . A 22 SER HB2 . 11530 1 251 . 1 1 22 22 SER HB3 H 1 3.487 0.02 . 2 . . . A 22 SER HB3 . 11530 1 252 . 1 1 22 22 SER C C 13 173.8 0.23 . 1 . . . A 22 SER C . 11530 1 253 . 1 1 22 22 SER CA C 13 58.398 0.23 . 1 . . . A 22 SER CA . 11530 1 254 . 1 1 22 22 SER CB C 13 63.955 0.23 . 1 . . . A 22 SER CB . 11530 1 255 . 1 1 22 22 SER N N 15 116.438 0.23 . 1 . . . A 22 SER N . 11530 1 256 . 1 1 23 23 SER H H 1 7.81136 0.02 . 1 . . . A 23 SER H . 11530 1 257 . 1 1 23 23 SER HA H 1 4.301 0.02 . 1 . . . A 23 SER HA . 11530 1 258 . 1 1 23 23 SER HB2 H 1 3.636 0.02 . 2 . . . A 23 SER HB2 . 11530 1 259 . 1 1 23 23 SER C C 13 173.7 0.02 . 1 . . . A 23 SER C . 11530 1 260 . 1 1 23 23 SER CA C 13 58.151 0.02 . 1 . . . A 23 SER CA . 11530 1 261 . 1 1 23 23 SER CB C 13 64.249 0.02 . 1 . . . A 23 SER CB . 11530 1 262 . 1 1 23 23 SER N N 15 116.119 0.121 . 1 . . . A 23 SER N . 11530 1 263 . 1 1 24 24 TYR H H 1 8.187 0.02 . 1 . . . A 24 TYR H . 11530 1 264 . 1 1 24 24 TYR HA H 1 4.734 0.02 . 1 . . . A 24 TYR HA . 11530 1 265 . 1 1 24 24 TYR HB2 H 1 2.904 0.02 . 2 . . . A 24 TYR HB2 . 11530 1 266 . 1 1 24 24 TYR HB3 H 1 2.507 0.02 . 2 . . . A 24 TYR HB3 . 11530 1 267 . 1 1 24 24 TYR HD2 H 1 7.075 0.02 . 3 . . . A 24 TYR HD2 . 11530 1 268 . 1 1 24 24 TYR HE2 H 1 6.701 0.02 . 3 . . . A 24 TYR HE2 . 11530 1 269 . 1 1 24 24 TYR C C 13 173.1 0.23 . 1 . . . A 24 TYR C . 11530 1 270 . 1 1 24 24 TYR CA C 13 56.864 0.23 . 1 . . . A 24 TYR CA . 11530 1 271 . 1 1 24 24 TYR CB C 13 37.872 0.23 . 1 . . . A 24 TYR CB . 11530 1 272 . 1 1 24 24 TYR CD2 C 13 133.66 0.23 . 3 . . . A 24 TYR CD2 . 11530 1 273 . 1 1 24 24 TYR CE2 C 13 118.046 0.23 . 3 . . . A 24 TYR CE2 . 11530 1 274 . 1 1 24 24 TYR N N 15 122.815 0.12 . 1 . . . A 24 TYR N . 11530 1 275 . 1 1 25 25 PRO HA H 1 4.525 0.02 . 1 . . . A 25 PRO HA . 11530 1 276 . 1 1 25 25 PRO HB2 H 1 2.080 0.02 . 2 . . . A 25 PRO HB2 . 11530 1 277 . 1 1 25 25 PRO HB3 H 1 2.374 0.02 . 1 . . . A 25 PRO HB3 . 11530 1 278 . 1 1 25 25 PRO HG2 H 1 2.415 0.02 . 2 . . . A 25 PRO HG2 . 11530 1 279 . 1 1 25 25 PRO HG3 H 1 2.201 0.02 . 2 . . . A 25 PRO HG3 . 11530 1 280 . 1 1 25 25 PRO HD2 H 1 4.192 0.02 . 2 . . . A 25 PRO HD2 . 11530 1 281 . 1 1 25 25 PRO HD3 H 1 3.948 0.02 . 2 . . . A 25 PRO HD3 . 11530 1 282 . 1 1 25 25 PRO C C 13 176.1 0.23 . 1 . . . A 25 PRO C . 11530 1 283 . 1 1 25 25 PRO CA C 13 62.311 0.23 . 1 . . . A 25 PRO CA . 11530 1 284 . 1 1 25 25 PRO CB C 13 32.602 0.23 . 1 . . . A 25 PRO CB . 11530 1 285 . 1 1 25 25 PRO CG C 13 27.665 0.23 . 1 . . . A 25 PRO CG . 11530 1 286 . 1 1 25 25 PRO CD C 13 50.615 0.23 . 1 . . . A 25 PRO CD . 11530 1 287 . 1 1 26 26 LYS H H 1 8.346 0.02 . 1 . . . A 26 LYS H . 11530 1 288 . 1 1 26 26 LYS HA H 1 4.862 0.02 . 1 . . . A 26 LYS HA . 11530 1 289 . 1 1 26 26 LYS HB2 H 1 1.871 0.02 . 2 . . . A 26 LYS HB2 . 11530 1 290 . 1 1 26 26 LYS HG2 H 1 1.681 0.02 . 2 . . . A 26 LYS HG2 . 11530 1 291 . 1 1 26 26 LYS HD2 H 1 1.742 0.02 . 2 . . . A 26 LYS HD2 . 11530 1 292 . 1 1 26 26 LYS HE2 H 1 3.039 0.02 . 2 . . . A 26 LYS HE2 . 11530 1 293 . 1 1 26 26 LYS C C 13 178.5 0.23 . 1 . . . A 26 LYS C . 11530 1 294 . 1 1 26 26 LYS CA C 13 55.774 0.231 . 1 . . . A 26 LYS CA . 11530 1 295 . 1 1 26 26 LYS CB C 13 33.004 0.23 . 1 . . . A 26 LYS CB . 11530 1 296 . 1 1 26 26 LYS CG C 13 25.128 0.23 . 1 . . . A 26 LYS CG . 11530 1 297 . 1 1 26 26 LYS CD C 13 29.017 0.23 . 1 . . . A 26 LYS CD . 11530 1 298 . 1 1 26 26 LYS CE C 13 41.912 0.23 . 1 . . . A 26 LYS CE . 11530 1 299 . 1 1 26 26 LYS N N 15 120.002 0.12 . 1 . . . A 26 LYS N . 11530 1 300 . 1 1 27 27 TYR H H 1 8.686 0.02 . 1 . . . A 27 TYR H . 11530 1 301 . 1 1 27 27 TYR HA H 1 3.955 0.02 . 1 . . . A 27 TYR HA . 11530 1 302 . 1 1 27 27 TYR HB2 H 1 2.685 0.02 . 2 . . . A 27 TYR HB2 . 11530 1 303 . 1 1 27 27 TYR HB3 H 1 2.466 0.02 . 2 . . . A 27 TYR HB3 . 11530 1 304 . 1 1 27 27 TYR HD2 H 1 6.652 0.02 . 3 . . . A 27 TYR HD2 . 11530 1 305 . 1 1 27 27 TYR HE2 H 1 6.503 0.02 . 3 . . . A 27 TYR HE2 . 11530 1 306 . 1 1 27 27 TYR C C 13 173.7 0.23 . 1 . . . A 27 TYR C . 11530 1 307 . 1 1 27 27 TYR CA C 13 59.626 0.23 . 1 . . . A 27 TYR CA . 11530 1 308 . 1 1 27 27 TYR CB C 13 38.406 0.23 . 1 . . . A 27 TYR CB . 11530 1 309 . 1 1 27 27 TYR CD2 C 13 132.528 0.23 . 3 . . . A 27 TYR CD2 . 11530 1 310 . 1 1 27 27 TYR N N 15 124.648 0.12 . 1 . . . A 27 TYR N . 11530 1 311 . 1 1 28 28 GLU H H 1 7.676 0.02 . 1 . . . A 28 GLU H . 11530 1 312 . 1 1 28 28 GLU HA H 1 4.549 0.02 . 1 . . . A 28 GLU HA . 11530 1 313 . 1 1 28 28 GLU HB2 H 1 1.785 0.02 . 1 . . . A 28 GLU HB2 . 11530 1 314 . 1 1 28 28 GLU HB3 H 1 1.713 0.02 . 1 . . . A 28 GLU HB3 . 11530 1 315 . 1 1 28 28 GLU HG2 H 1 2.161 0.02 . 1 . . . A 28 GLU HG2 . 11530 1 316 . 1 1 28 28 GLU HG3 H 1 2.036 0.02 . 1 . . . A 28 GLU HG3 . 11530 1 317 . 1 1 28 28 GLU C C 13 171.8 0.23 . 1 . . . A 28 GLU C . 11530 1 318 . 1 1 28 28 GLU CA C 13 51.907 0.23 . 1 . . . A 28 GLU CA . 11530 1 319 . 1 1 28 28 GLU CB C 13 31.674 0.23 . 1 . . . A 28 GLU CB . 11530 1 320 . 1 1 28 28 GLU CG C 13 35.924 0.23 . 1 . . . A 28 GLU CG . 11530 1 321 . 1 1 28 28 GLU N N 15 130.996 0.12 . 1 . . . A 28 GLU N . 11530 1 322 . 1 1 29 29 PRO HA H 1 4.191 0.02 . 1 . . . A 29 PRO HA . 11530 1 323 . 1 1 29 29 PRO HB2 H 1 1.905 0.02 . 2 . . . A 29 PRO HB2 . 11530 1 324 . 1 1 29 29 PRO HB3 H 1 2.377 0.02 . 2 . . . A 29 PRO HB3 . 11530 1 325 . 1 1 29 29 PRO HG2 H 1 2.160 0.02 . 2 . . . A 29 PRO HG2 . 11530 1 326 . 1 1 29 29 PRO HG3 H 1 2.057 0.02 . 2 . . . A 29 PRO HG3 . 11530 1 327 . 1 1 29 29 PRO HD2 H 1 3.657 0.02 . 2 . . . A 29 PRO HD2 . 11530 1 328 . 1 1 29 29 PRO HD3 H 1 3.613 0.02 . 2 . . . A 29 PRO HD3 . 11530 1 329 . 1 1 29 29 PRO C C 13 177.8 0.23 . 1 . . . A 29 PRO C . 11530 1 330 . 1 1 29 29 PRO CA C 13 63.407 0.23 . 1 . . . A 29 PRO CA . 11530 1 331 . 1 1 29 29 PRO CB C 13 31.750 0.23 . 1 . . . A 29 PRO CB . 11530 1 332 . 1 1 29 29 PRO CG C 13 27.471 0.23 . 1 . . . A 29 PRO CG . 11530 1 333 . 1 1 29 29 PRO CD C 13 50.916 0.23 . 1 . . . A 29 PRO CD . 11530 1 334 . 1 1 30 30 GLY H H 1 8.360 0.02 . 1 . . . A 30 GLY H . 11530 1 335 . 1 1 30 30 GLY HA2 H 1 4.237 0.02 . 2 . . . A 30 GLY HA2 . 11530 1 336 . 1 1 30 30 GLY HA3 H 1 3.624 0.02 . 2 . . . A 30 GLY HA3 . 11530 1 337 . 1 1 30 30 GLY C C 13 173.8 0.23 . 1 . . . A 30 GLY C . 11530 1 338 . 1 1 30 30 GLY CA C 13 45.2 0.23 . 1 . . . A 30 GLY CA . 11530 1 339 . 1 1 30 30 GLY N N 15 114.101 0.12 . 1 . . . A 30 GLY N . 11530 1 340 . 1 1 31 31 LYS H H 1 7.629 0.02 . 1 . . . A 31 LYS H . 11530 1 341 . 1 1 31 31 LYS HA H 1 4.078 0.02 . 1 . . . A 31 LYS HA . 11530 1 342 . 1 1 31 31 LYS HB2 H 1 1.659 0.02 . 2 . . . A 31 LYS HB2 . 11530 1 343 . 1 1 31 31 LYS HB3 H 1 1.485 0.02 . 2 . . . A 31 LYS HB3 . 11530 1 344 . 1 1 31 31 LYS HG2 H 1 1.127 0.02 . 2 . . . A 31 LYS HG2 . 11530 1 345 . 1 1 31 31 LYS HG3 H 1 0.729 0.02 . 2 . . . A 31 LYS HG3 . 11530 1 346 . 1 1 31 31 LYS HD2 H 1 1.448 0.02 . 2 . . . A 31 LYS HD2 . 11530 1 347 . 1 1 31 31 LYS HE2 H 1 2.836 0.02 . 2 . . . A 31 LYS HE2 . 11530 1 348 . 1 1 31 31 LYS HE3 H 1 2.714 0.02 . 2 . . . A 31 LYS HE3 . 11530 1 349 . 1 1 31 31 LYS C C 13 174.6 0.23 . 1 . . . A 31 LYS C . 11530 1 350 . 1 1 31 31 LYS CA C 13 56.050 0.23 . 1 . . . A 31 LYS CA . 11530 1 351 . 1 1 31 31 LYS CB C 13 33.063 0.23 . 1 . . . A 31 LYS CB . 11530 1 352 . 1 1 31 31 LYS CG C 13 25.429 0.23 . 1 . . . A 31 LYS CG . 11530 1 353 . 1 1 31 31 LYS CD C 13 28.956 0.23 . 1 . . . A 31 LYS CD . 11530 1 354 . 1 1 31 31 LYS CE C 13 42.179 0.23 . 1 . . . A 31 LYS CE . 11530 1 355 . 1 1 31 31 LYS N N 15 122.751 0.12 . 1 . . . A 31 LYS N . 11530 1 356 . 1 1 32 32 GLU H H 1 7.785 0.02 . 1 . . . A 32 GLU H . 11530 1 357 . 1 1 32 32 GLU HA H 1 4.181 0.02 . 1 . . . A 32 GLU HA . 11530 1 358 . 1 1 32 32 GLU HB2 H 1 1.759 0.02 . 2 . . . A 32 GLU HB2 . 11530 1 359 . 1 1 32 32 GLU HB3 H 1 1.697 0.02 . 2 . . . A 32 GLU HB3 . 11530 1 360 . 1 1 32 32 GLU HG2 H 1 2.229 0.02 . 2 . . . A 32 GLU HG2 . 11530 1 361 . 1 1 32 32 GLU HG3 H 1 2.116 0.02 . 2 . . . A 32 GLU HG3 . 11530 1 362 . 1 1 32 32 GLU C C 13 174.7 0.23 . 1 . . . A 32 GLU C . 11530 1 363 . 1 1 32 32 GLU CA C 13 54.872 0.23 . 1 . . . A 32 GLU CA . 11530 1 364 . 1 1 32 32 GLU CB C 13 30.389 0.23 . 1 . . . A 32 GLU CB . 11530 1 365 . 1 1 32 32 GLU CG C 13 36.199 0.23 . 1 . . . A 32 GLU CG . 11530 1 366 . 1 1 32 32 GLU N N 15 120.345 0.12 . 1 . . . A 32 GLU N . 11530 1 367 . 1 1 33 33 TYR H H 1 8.333 0.02 . 1 . . . A 33 TYR H . 11530 1 368 . 1 1 33 33 TYR HA H 1 4.474 0.02 . 1 . . . A 33 TYR HA . 11530 1 369 . 1 1 33 33 TYR HB2 H 1 2.800 0.02 . 2 . . . A 33 TYR HB2 . 11530 1 370 . 1 1 33 33 TYR HB3 H 1 2.377 0.02 . 2 . . . A 33 TYR HB3 . 11530 1 371 . 1 1 33 33 TYR HD2 H 1 7.214 0.02 . 3 . . . A 33 TYR HD2 . 11530 1 372 . 1 1 33 33 TYR HE2 H 1 6.785 0.02 . 3 . . . A 33 TYR HE2 . 11530 1 373 . 1 1 33 33 TYR C C 13 173.2 0.23 . 1 . . . A 33 TYR C . 11530 1 374 . 1 1 33 33 TYR CA C 13 58.133 0.02 . 1 . . . A 33 TYR CA . 11530 1 375 . 1 1 33 33 TYR CB C 13 41.122 0.02 . 1 . . . A 33 TYR CB . 11530 1 376 . 1 1 33 33 TYR N N 15 122.333 0.12 . 1 . . . A 33 TYR N . 11530 1 377 . 1 1 34 34 ASN H H 1 8.798 0.02 . 1 . . . A 34 ASN H . 11530 1 378 . 1 1 34 34 ASN HA H 1 4.703 0.02 . 1 . . . A 34 ASN HA . 11530 1 379 . 1 1 34 34 ASN HB2 H 1 2.668 0.02 . 2 . . . A 34 ASN HB2 . 11530 1 380 . 1 1 34 34 ASN HB3 H 1 2.573 0.02 . 2 . . . A 34 ASN HB3 . 11530 1 381 . 1 1 34 34 ASN HD21 H 1 8.030 0.02 . 1 . . . A 34 ASN HD21 . 11530 1 382 . 1 1 34 34 ASN HD22 H 1 7.107 0.02 . 1 . . . A 34 ASN HD22 . 11530 1 383 . 1 1 34 34 ASN C C 13 174.2 0.23 . 1 . . . A 34 ASN C . 11530 1 384 . 1 1 34 34 ASN CA C 13 51.561 0.23 . 1 . . . A 34 ASN CA . 11530 1 385 . 1 1 34 34 ASN CB C 13 42.054 0.23 . 1 . . . A 34 ASN CB . 11530 1 386 . 1 1 34 34 ASN N N 15 117.688 0.12 . 1 . . . A 34 ASN N . 11530 1 387 . 1 1 34 34 ASN ND2 N 15 115.403 0.121 . 1 . . . A 34 ASN ND2 . 11530 1 388 . 1 1 35 35 GLN H H 1 8.497 0.02 . 1 . . . A 35 GLN H . 11530 1 389 . 1 1 35 35 GLN HA H 1 3.227 0.02 . 1 . . . A 35 GLN HA . 11530 1 390 . 1 1 35 35 GLN HB2 H 1 1.946 0.02 . 2 . . . A 35 GLN HB2 . 11530 1 391 . 1 1 35 35 GLN HB3 H 1 1.775 0.02 . 2 . . . A 35 GLN HB3 . 11530 1 392 . 1 1 35 35 GLN HG2 H 1 2.232 0.02 . 2 . . . A 35 GLN HG2 . 11530 1 393 . 1 1 35 35 GLN HG3 H 1 2.069 0.02 . 2 . . . A 35 GLN HG3 . 11530 1 394 . 1 1 35 35 GLN HE21 H 1 7.521 0.02 . 1 . . . A 35 GLN HE21 . 11530 1 395 . 1 1 35 35 GLN HE22 H 1 6.863 0.02 . 1 . . . A 35 GLN HE22 . 11530 1 396 . 1 1 35 35 GLN C C 13 176.6 0.23 . 1 . . . A 35 GLN C . 11530 1 397 . 1 1 35 35 GLN CA C 13 57.619 0.23 . 1 . . . A 35 GLN CA . 11530 1 398 . 1 1 35 35 GLN CB C 13 28.586 0.23 . 1 . . . A 35 GLN CB . 11530 1 399 . 1 1 35 35 GLN CG C 13 33.049 0.23 . 1 . . . A 35 GLN CG . 11530 1 400 . 1 1 35 35 GLN N N 15 117.733 0.12 . 1 . . . A 35 GLN N . 11530 1 401 . 1 1 35 35 GLN NE2 N 15 111.435 0.12 . 1 . . . A 35 GLN NE2 . 11530 1 402 . 1 1 36 36 GLY H H 1 8.919 0.02 . 1 . . . A 36 GLY H . 11530 1 403 . 1 1 36 36 GLY HA2 H 1 4.441 0.02 . 2 . . . A 36 GLY HA2 . 11530 1 404 . 1 1 36 36 GLY HA3 H 1 3.279 0.02 . 2 . . . A 36 GLY HA3 . 11530 1 405 . 1 1 36 36 GLY C C 13 174.0 0.23 . 1 . . . A 36 GLY C . 11530 1 406 . 1 1 36 36 GLY CA C 13 44.885 0.23 . 1 . . . A 36 GLY CA . 11530 1 407 . 1 1 36 36 GLY N N 15 115.508 0.12 . 1 . . . A 36 GLY N . 11530 1 408 . 1 1 37 37 ASP H H 1 8.268 0.02 . 1 . . . A 37 ASP H . 11530 1 409 . 1 1 37 37 ASP HA H 1 4.587 0.02 . 1 . . . A 37 ASP HA . 11530 1 410 . 1 1 37 37 ASP HB2 H 1 2.974 0.02 . 2 . . . A 37 ASP HB2 . 11530 1 411 . 1 1 37 37 ASP C C 13 175.2 0.23 . 1 . . . A 37 ASP C . 11530 1 412 . 1 1 37 37 ASP CA C 13 56.223 0.23 . 1 . . . A 37 ASP CA . 11530 1 413 . 1 1 37 37 ASP CB C 13 41.200 0.23 . 1 . . . A 37 ASP CB . 11530 1 414 . 1 1 37 37 ASP N N 15 123.194 0.12 . 1 . . . A 37 ASP N . 11530 1 415 . 1 1 38 38 ILE H H 1 7.835 0.02 . 1 . . . A 38 ILE H . 11530 1 416 . 1 1 38 38 ILE HA H 1 5.460 0.02 . 1 . . . A 38 ILE HA . 11530 1 417 . 1 1 38 38 ILE HB H 1 1.372 0.02 . 1 . . . A 38 ILE HB . 11530 1 418 . 1 1 38 38 ILE HG12 H 1 1.870 0.02 . 2 . . . A 38 ILE HG12 . 11530 1 419 . 1 1 38 38 ILE HG13 H 1 0.515 0.02 . 2 . . . A 38 ILE HG13 . 11530 1 420 . 1 1 38 38 ILE HG21 H 1 0.079 0.02 . 1 . . . A 38 ILE HG21 . 11530 1 421 . 1 1 38 38 ILE HG22 H 1 0.079 0.02 . 1 . . . A 38 ILE HG22 . 11530 1 422 . 1 1 38 38 ILE HG23 H 1 0.079 0.02 . 1 . . . A 38 ILE HG23 . 11530 1 423 . 1 1 38 38 ILE HD11 H 1 0.696 0.02 . 1 . . . A 38 ILE HD11 . 11530 1 424 . 1 1 38 38 ILE HD12 H 1 0.696 0.02 . 1 . . . A 38 ILE HD12 . 11530 1 425 . 1 1 38 38 ILE HD13 H 1 0.696 0.02 . 1 . . . A 38 ILE HD13 . 11530 1 426 . 1 1 38 38 ILE C C 13 176.5 0.23 . 1 . . . A 38 ILE C . 11530 1 427 . 1 1 38 38 ILE CA C 13 59.992 0.23 . 1 . . . A 38 ILE CA . 11530 1 428 . 1 1 38 38 ILE CB C 13 40.296 0.23 . 1 . . . A 38 ILE CB . 11530 1 429 . 1 1 38 38 ILE CG1 C 13 27.807 0.23 . 1 . . . A 38 ILE CG1 . 11530 1 430 . 1 1 38 38 ILE CG2 C 13 17.157 0.23 . 1 . . . A 38 ILE CG2 . 11530 1 431 . 1 1 38 38 ILE CD1 C 13 13.865 0.23 . 1 . . . A 38 ILE CD1 . 11530 1 432 . 1 1 38 38 ILE N N 15 122.01 0.12 . 1 . . . A 38 ILE N . 11530 1 433 . 1 1 39 39 VAL H H 1 8.691 0.02 . 1 . . . A 39 VAL H . 11530 1 434 . 1 1 39 39 VAL HA H 1 5.194 0.02 . 1 . . . A 39 VAL HA . 11530 1 435 . 1 1 39 39 VAL HB H 1 1.968 0.02 . 1 . . . A 39 VAL HB . 11530 1 436 . 1 1 39 39 VAL HG11 H 1 0.685 0.02 . 1 . . . A 39 VAL HG11 . 11530 1 437 . 1 1 39 39 VAL HG12 H 1 0.685 0.02 . 1 . . . A 39 VAL HG12 . 11530 1 438 . 1 1 39 39 VAL HG13 H 1 0.685 0.02 . 1 . . . A 39 VAL HG13 . 11530 1 439 . 1 1 39 39 VAL HG21 H 1 0.104 0.02 . 1 . . . A 39 VAL HG21 . 11530 1 440 . 1 1 39 39 VAL HG22 H 1 0.104 0.02 . 1 . . . A 39 VAL HG22 . 11530 1 441 . 1 1 39 39 VAL HG23 H 1 0.104 0.02 . 1 . . . A 39 VAL HG23 . 11530 1 442 . 1 1 39 39 VAL C C 13 173.6 0.23 . 1 . . . A 39 VAL C . 11530 1 443 . 1 1 39 39 VAL CA C 13 57.317 0.23 . 1 . . . A 39 VAL CA . 11530 1 444 . 1 1 39 39 VAL CB C 13 36.047 0.23 . 1 . . . A 39 VAL CB . 11530 1 445 . 1 1 39 39 VAL CG1 C 13 22.951 0.23 . 1 . . . A 39 VAL CG1 . 11530 1 446 . 1 1 39 39 VAL CG2 C 13 19.439 0.23 . 1 . . . A 39 VAL CG2 . 11530 1 447 . 1 1 39 39 VAL N N 15 116.486 0.12 . 1 . . . A 39 VAL N . 11530 1 448 . 1 1 40 40 GLU H H 1 8.603 0.02 . 1 . . . A 40 GLU H . 11530 1 449 . 1 1 40 40 GLU HA H 1 5.166 0.02 . 1 . . . A 40 GLU HA . 11530 1 450 . 1 1 40 40 GLU HB2 H 1 1.877 0.02 . 2 . . . A 40 GLU HB2 . 11530 1 451 . 1 1 40 40 GLU HB3 H 1 1.648 0.02 . 2 . . . A 40 GLU HB3 . 11530 1 452 . 1 1 40 40 GLU HG2 H 1 2.120 0.02 . 2 . . . A 40 GLU HG2 . 11530 1 453 . 1 1 40 40 GLU HG3 H 1 1.884 0.02 . 2 . . . A 40 GLU HG3 . 11530 1 454 . 1 1 40 40 GLU C C 13 175.8 0.23 . 1 . . . A 40 GLU C . 11530 1 455 . 1 1 40 40 GLU CA C 13 54.459 0.23 . 1 . . . A 40 GLU CA . 11530 1 456 . 1 1 40 40 GLU CB C 13 31.139 0.23 . 1 . . . A 40 GLU CB . 11530 1 457 . 1 1 40 40 GLU CG C 13 36.378 0.23 . 1 . . . A 40 GLU CG . 11530 1 458 . 1 1 40 40 GLU N N 15 120.9 0.12 . 1 . . . A 40 GLU N . 11530 1 459 . 1 1 41 41 TYR H H 1 9.708 0.02 . 1 . . . A 41 TYR H . 11530 1 460 . 1 1 41 41 TYR HA H 1 4.873 0.02 . 1 . . . A 41 TYR HA . 11530 1 461 . 1 1 41 41 TYR HB2 H 1 2.566 0.02 . 2 . . . A 41 TYR HB2 . 11530 1 462 . 1 1 41 41 TYR HB3 H 1 2.399 0.02 . 2 . . . A 41 TYR HB3 . 11530 1 463 . 1 1 41 41 TYR HD2 H 1 6.834 0.02 . 3 . . . A 41 TYR HD2 . 11530 1 464 . 1 1 41 41 TYR HE2 H 1 6.628 0.02 . 3 . . . A 41 TYR HE2 . 11530 1 465 . 1 1 41 41 TYR C C 13 174.9 0.23 . 1 . . . A 41 TYR C . 11530 1 466 . 1 1 41 41 TYR CA C 13 56.797 0.23 . 1 . . . A 41 TYR CA . 11530 1 467 . 1 1 41 41 TYR CB C 13 41.021 0.231 . 1 . . . A 41 TYR CB . 11530 1 468 . 1 1 41 41 TYR CD2 C 13 133.315 0.23 . 3 . . . A 41 TYR CD2 . 11530 1 469 . 1 1 41 41 TYR CE2 C 13 118.315 0.23 . 3 . . . A 41 TYR CE2 . 11530 1 470 . 1 1 41 41 TYR N N 15 126.902 0.12 . 1 . . . A 41 TYR N . 11530 1 471 . 1 1 42 42 ASN H H 1 9.042 0.02 . 1 . . . A 42 ASN H . 11530 1 472 . 1 1 42 42 ASN HA H 1 4.128 0.02 . 1 . . . A 42 ASN HA . 11530 1 473 . 1 1 42 42 ASN HB2 H 1 2.795 0.02 . 2 . . . A 42 ASN HB2 . 11530 1 474 . 1 1 42 42 ASN HB3 H 1 2.177 0.02 . 1 . . . A 42 ASN HB3 . 11530 1 475 . 1 1 42 42 ASN HD21 H 1 6.807 0.02 . 1 . . . A 42 ASN HD21 . 11530 1 476 . 1 1 42 42 ASN HD22 H 1 6.297 0.02 . 1 . . . A 42 ASN HD22 . 11530 1 477 . 1 1 42 42 ASN C C 13 175.0 0.23 . 1 . . . A 42 ASN C . 11530 1 478 . 1 1 42 42 ASN CA C 13 53.679 0.23 . 1 . . . A 42 ASN CA . 11530 1 479 . 1 1 42 42 ASN CB C 13 53.678 0.23 . 1 . . . A 42 ASN CB . 11530 1 480 . 1 1 42 42 ASN N N 15 127.326 0.12 . 1 . . . A 42 ASN N . 11530 1 481 . 1 1 42 42 ASN ND2 N 15 111.826 0.12 . 1 . . . A 42 ASN ND2 . 11530 1 482 . 1 1 43 43 GLY H H 1 9.200 0.02 . 1 . . . A 43 GLY H . 11530 1 483 . 1 1 43 43 GLY HA2 H 1 4.147 0.02 . 2 . . . A 43 GLY HA2 . 11530 1 484 . 1 1 43 43 GLY HA3 H 1 3.6157 0.02 . 2 . . . A 43 GLY HA3 . 11530 1 485 . 1 1 43 43 GLY C C 13 173.7 0.23 . 1 . . . A 43 GLY C . 11530 1 486 . 1 1 43 43 GLY CA C 13 45.680 0.23 . 1 . . . A 43 GLY CA . 11530 1 487 . 1 1 43 43 GLY N N 15 104.169 0.12 . 1 . . . A 43 GLY N . 11530 1 488 . 1 1 44 44 LYS H H 1 7.843 0.02 . 1 . . . A 44 LYS H . 11530 1 489 . 1 1 44 44 LYS HA H 1 4.727 0.02 . 1 . . . A 44 LYS HA . 11530 1 490 . 1 1 44 44 LYS HB2 H 1 1.988 0.02 . 2 . . . A 44 LYS HB2 . 11530 1 491 . 1 1 44 44 LYS HB3 H 1 1.508 0.02 . 2 . . . A 44 LYS HB3 . 11530 1 492 . 1 1 44 44 LYS HG2 H 1 1.683 0.02 . 2 . . . A 44 LYS HG2 . 11530 1 493 . 1 1 44 44 LYS HG3 H 1 1.465 0.02 . 2 . . . A 44 LYS HG3 . 11530 1 494 . 1 1 44 44 LYS HD2 H 1 1.712 0.02 . 2 . . . A 44 LYS HD2 . 11530 1 495 . 1 1 44 44 LYS HD3 H 1 1.568 0.02 . 2 . . . A 44 LYS HD3 . 11530 1 496 . 1 1 44 44 LYS HE2 H 1 3.017 0.02 . 2 . . . A 44 LYS HE2 . 11530 1 497 . 1 1 44 44 LYS C C 13 173.0 0.23 . 1 . . . A 44 LYS C . 11530 1 498 . 1 1 44 44 LYS CA C 13 55.016 0.23 . 1 . . . A 44 LYS CA . 11530 1 499 . 1 1 44 44 LYS CB C 13 36.929 0.23 . 1 . . . A 44 LYS CB . 11530 1 500 . 1 1 44 44 LYS CG C 13 26.058 0.23 . 1 . . . A 44 LYS CG . 11530 1 501 . 1 1 44 44 LYS CD C 13 29.238 0.23 . 1 . . . A 44 LYS CD . 11530 1 502 . 1 1 44 44 LYS CE C 13 42.212 0.23 . 1 . . . A 44 LYS CE . 11530 1 503 . 1 1 44 44 LYS N N 15 121.952 0.12 . 1 . . . A 44 LYS N . 11530 1 504 . 1 1 45 45 LEU H H 1 8.456 0.02 . 1 . . . A 45 LEU H . 11530 1 505 . 1 1 45 45 LEU HA H 1 5.173 0.02 . 1 . . . A 45 LEU HA . 11530 1 506 . 1 1 45 45 LEU HB2 H 1 1.165 0.02 . 2 . . . A 45 LEU HB2 . 11530 1 507 . 1 1 45 45 LEU HB3 H 1 0.655 0.02 . 2 . . . A 45 LEU HB3 . 11530 1 508 . 1 1 45 45 LEU HG H 1 1.087 0.02 . 1 . . . A 45 LEU HG . 11530 1 509 . 1 1 45 45 LEU HD11 H 1 0.478 0.02 . 1 . . . A 45 LEU HD11 . 11530 1 510 . 1 1 45 45 LEU HD12 H 1 0.478 0.02 . 1 . . . A 45 LEU HD12 . 11530 1 511 . 1 1 45 45 LEU HD13 H 1 0.478 0.02 . 1 . . . A 45 LEU HD13 . 11530 1 512 . 1 1 45 45 LEU HD21 H 1 0.482 0.02 . 1 . . . A 45 LEU HD21 . 11530 1 513 . 1 1 45 45 LEU HD22 H 1 0.482 0.02 . 1 . . . A 45 LEU HD22 . 11530 1 514 . 1 1 45 45 LEU HD23 H 1 0.482 0.02 . 1 . . . A 45 LEU HD23 . 11530 1 515 . 1 1 45 45 LEU C C 13 175.6 0.23 . 1 . . . A 45 LEU C . 11530 1 516 . 1 1 45 45 LEU CA C 13 52.650 0.23 . 1 . . . A 45 LEU CA . 11530 1 517 . 1 1 45 45 LEU CB C 13 44.526 0.23 . 1 . . . A 45 LEU CB . 11530 1 518 . 1 1 45 45 LEU CG C 13 26.959 0.23 . 1 . . . A 45 LEU CG . 11530 1 519 . 1 1 45 45 LEU CD1 C 13 25.351 0.23 . 1 . . . A 45 LEU CD1 . 11530 1 520 . 1 1 45 45 LEU CD2 C 13 23.087 0.23 . 1 . . . A 45 LEU CD2 . 11530 1 521 . 1 1 45 45 LEU N N 15 119.786 0.12 . 1 . . . A 45 LEU N . 11530 1 522 . 1 1 46 46 TYR H H 1 8.743 0.02 . 1 . . . A 46 TYR H . 11530 1 523 . 1 1 46 46 TYR HA H 1 5.345 0.02 . 1 . . . A 46 TYR HA . 11530 1 524 . 1 1 46 46 TYR HB2 H 1 2.876 0.02 . 2 . . . A 46 TYR HB2 . 11530 1 525 . 1 1 46 46 TYR HB3 H 1 2.033 0.02 . 2 . . . A 46 TYR HB3 . 11530 1 526 . 1 1 46 46 TYR HD2 H 1 6.625 0.02 . 3 . . . A 46 TYR HD2 . 11530 1 527 . 1 1 46 46 TYR HE2 H 1 6.789 0.02 . 3 . . . A 46 TYR HE2 . 11530 1 528 . 1 1 46 46 TYR C C 13 173.3 0.23 . 1 . . . A 46 TYR C . 11530 1 529 . 1 1 46 46 TYR CA C 13 56.054 0.23 . 1 . . . A 46 TYR CA . 11530 1 530 . 1 1 46 46 TYR CB C 13 44.565 0.23 . 1 . . . A 46 TYR CB . 11530 1 531 . 1 1 46 46 TYR CD2 C 13 133.125 0.23 . 1 . . . A 46 TYR CD2 . 11530 1 532 . 1 1 46 46 TYR CE2 C 13 118.337 0.23 . 1 . . . A 46 TYR CE2 . 11530 1 533 . 1 1 46 46 TYR N N 15 118.792 0.12 . 1 . . . A 46 TYR N . 11530 1 534 . 1 1 47 47 LYS H H 1 9.358 0.02 . 1 . . . A 47 LYS H . 11530 1 535 . 1 1 47 47 LYS HA H 1 5.566 0.02 . 1 . . . A 47 LYS HA . 11530 1 536 . 1 1 47 47 LYS HB2 H 1 1.736 0.02 . 2 . . . A 47 LYS HB2 . 11530 1 537 . 1 1 47 47 LYS HB3 H 1 1.476 0.02 . 2 . . . A 47 LYS HB3 . 11530 1 538 . 1 1 47 47 LYS HG2 H 1 1.177 0.02 . 2 . . . A 47 LYS HG2 . 11530 1 539 . 1 1 47 47 LYS HD2 H 1 1.622 0.02 . 2 . . . A 47 LYS HD2 . 11530 1 540 . 1 1 47 47 LYS HE2 H 1 2.843 0.02 . 2 . . . A 47 LYS HE2 . 11530 1 541 . 1 1 47 47 LYS C C 13 176.5 0.23 . 1 . . . A 47 LYS C . 11530 1 542 . 1 1 47 47 LYS CA C 13 53.300 0.23 . 1 . . . A 47 LYS CA . 11530 1 543 . 1 1 47 47 LYS CB C 13 37.202 0.23 . 1 . . . A 47 LYS CB . 11530 1 544 . 1 1 47 47 LYS CG C 13 29.815 0.23 . 1 . . . A 47 LYS CG . 11530 1 545 . 1 1 47 47 LYS CD C 13 23.985 0.23 . 1 . . . A 47 LYS CD . 11530 1 546 . 1 1 47 47 LYS CE C 13 41.317 0.23 . 1 . . . A 47 LYS CE . 11530 1 547 . 1 1 47 47 LYS N N 15 121.293 0.12 . 1 . . . A 47 LYS N . 11530 1 548 . 1 1 48 48 ALA H H 1 9.218 0.02 . 1 . . . A 48 ALA H . 11530 1 549 . 1 1 48 48 ALA HA H 1 3.411 0.02 . 1 . . . A 48 ALA HA . 11530 1 550 . 1 1 48 48 ALA HB1 H 1 0.455 0.02 . 1 . . . A 48 ALA HB1 . 11530 1 551 . 1 1 48 48 ALA HB2 H 1 0.455 0.02 . 1 . . . A 48 ALA HB2 . 11530 1 552 . 1 1 48 48 ALA HB3 H 1 0.455 0.02 . 1 . . . A 48 ALA HB3 . 11530 1 553 . 1 1 48 48 ALA C C 13 179.2 0.23 . 1 . . . A 48 ALA C . 11530 1 554 . 1 1 48 48 ALA CA C 13 53.171 0.23 . 1 . . . A 48 ALA CA . 11530 1 555 . 1 1 48 48 ALA CB C 13 15.748 0.23 . 1 . . . A 48 ALA CB . 11530 1 556 . 1 1 48 48 ALA N N 15 134.843 0.12 . 1 . . . A 48 ALA N . 11530 1 557 . 1 1 49 49 LYS H H 1 8.917 0.02 . 1 . . . A 49 LYS H . 11530 1 558 . 1 1 49 49 LYS HA H 1 3.848 0.02 . 1 . . . A 49 LYS HA . 11530 1 559 . 1 1 49 49 LYS HB2 H 1 1.556 0.02 . 2 . . . A 49 LYS HB2 . 11530 1 560 . 1 1 49 49 LYS HB3 H 1 0.662 0.02 . 2 . . . A 49 LYS HB3 . 11530 1 561 . 1 1 49 49 LYS HG2 H 1 1.346 0.02 . 2 . . . A 49 LYS HG2 . 11530 1 562 . 1 1 49 49 LYS HG3 H 1 1.021 0.02 . 2 . . . A 49 LYS HG3 . 11530 1 563 . 1 1 49 49 LYS HD2 H 1 1.572 0.02 . 2 . . . A 49 LYS HD2 . 11530 1 564 . 1 1 49 49 LYS HD3 H 1 1.494 0.02 . 2 . . . A 49 LYS HD3 . 11530 1 565 . 1 1 49 49 LYS HE2 H 1 2.828 0.02 . 2 . . . A 49 LYS HE2 . 11530 1 566 . 1 1 49 49 LYS HE3 H 1 2.591 0.02 . 2 . . . A 49 LYS HE3 . 11530 1 567 . 1 1 49 49 LYS C C 13 175.6 0.23 . 1 . . . A 49 LYS C . 11530 1 568 . 1 1 49 49 LYS CA C 13 58.039 0.23 . 1 . . . A 49 LYS CA . 11530 1 569 . 1 1 49 49 LYS CB C 13 34.603 0.23 . 1 . . . A 49 LYS CB . 11530 1 570 . 1 1 49 49 LYS CG C 13 26.154 0.23 . 1 . . . A 49 LYS CG . 11530 1 571 . 1 1 49 49 LYS CD C 13 29.501 0.23 . 1 . . . A 49 LYS CD . 11530 1 572 . 1 1 49 49 LYS CE C 13 42.116 0.23 . 1 . . . A 49 LYS CE . 11530 1 573 . 1 1 49 49 LYS N N 15 124.745 0.12 . 1 . . . A 49 LYS N . 11530 1 574 . 1 1 50 50 TYR H H 1 7.139 0.02 . 1 . . . A 50 TYR H . 11530 1 575 . 1 1 50 50 TYR HA H 1 4.318 0.02 . 1 . . . A 50 TYR HA . 11530 1 576 . 1 1 50 50 TYR HB2 H 1 3.430 0.02 . 2 . . . A 50 TYR HB2 . 11530 1 577 . 1 1 50 50 TYR HB3 H 1 3.083 0.02 . 2 . . . A 50 TYR HB3 . 11530 1 578 . 1 1 50 50 TYR HD1 H 1 7.013 0.02 . 3 . . . A 50 TYR HD1 . 11530 1 579 . 1 1 50 50 TYR HE1 H 1 6.73256 0.02 . 3 . . . A 50 TYR HE1 . 11530 1 580 . 1 1 50 50 TYR C C 13 172.1 0.23 . 1 . . . A 50 TYR C . 11530 1 581 . 1 1 50 50 TYR CA C 13 53.894 0.23 . 1 . . . A 50 TYR CA . 11530 1 582 . 1 1 50 50 TYR CB C 13 38.864 0.23 . 1 . . . A 50 TYR CB . 11530 1 583 . 1 1 50 50 TYR CD1 C 13 134.305 0.23 . 3 . . . A 50 TYR CD1 . 11530 1 584 . 1 1 50 50 TYR CE1 C 13 117.489 0.23 . 3 . . . A 50 TYR CE1 . 11530 1 585 . 1 1 50 50 TYR N N 15 111.233 0.12 . 1 . . . A 50 TYR N . 11530 1 586 . 1 1 51 51 TRP H H 1 8.300 0.02 . 1 . . . A 51 TRP H . 11530 1 587 . 1 1 51 51 TRP HA H 1 5.035 0.02 . 1 . . . A 51 TRP HA . 11530 1 588 . 1 1 51 51 TRP HB2 H 1 3.297 0.02 . 2 . . . A 51 TRP HB2 . 11530 1 589 . 1 1 51 51 TRP HB3 H 1 3.246 0.02 . 2 . . . A 51 TRP HB3 . 11530 1 590 . 1 1 51 51 TRP HD1 H 1 7.304 0.02 . 1 . . . A 51 TRP HD1 . 11530 1 591 . 1 1 51 51 TRP HE1 H 1 10.208 0.02 . 1 . . . A 51 TRP HE1 . 11530 1 592 . 1 1 51 51 TRP HE3 H 1 7.521 0.02 . 1 . . . A 51 TRP HE3 . 11530 1 593 . 1 1 51 51 TRP HZ2 H 1 7.521 0.02 . 1 . . . A 51 TRP HZ2 . 11530 1 594 . 1 1 51 51 TRP HZ3 H 1 7.119 0.02 . 1 . . . A 51 TRP HZ3 . 11530 1 595 . 1 1 51 51 TRP C C 13 177.0 0.23 . 1 . . . A 51 TRP C . 11530 1 596 . 1 1 51 51 TRP CA C 13 58.737 0.23 . 1 . . . A 51 TRP CA . 11530 1 597 . 1 1 51 51 TRP CB C 13 28.81 0.23 . 1 . . . A 51 TRP CB . 11530 1 598 . 1 1 51 51 TRP CD1 C 13 127.804 0.23 . 1 . . . A 51 TRP CD1 . 11530 1 599 . 1 1 51 51 TRP CE3 C 13 120.858 0.23 . 1 . . . A 51 TRP CE3 . 11530 1 600 . 1 1 51 51 TRP CZ3 C 13 124.66 0.23 . 1 . . . A 51 TRP CZ3 . 11530 1 601 . 1 1 51 51 TRP N N 15 117.87 0.12 . 1 . . . A 51 TRP N . 11530 1 602 . 1 1 51 51 TRP NE1 N 15 129.767 0.12 . 1 . . . A 51 TRP NE1 . 11530 1 603 . 1 1 52 52 THR H H 1 8.371 0.02 . 1 . . . A 52 THR H . 11530 1 604 . 1 1 52 52 THR HA H 1 4.409 0.02 . 1 . . . A 52 THR HA . 11530 1 605 . 1 1 52 52 THR HB H 1 3.900 0.02 . 1 . . . A 52 THR HB . 11530 1 606 . 1 1 52 52 THR HG21 H 1 0.499 0.02 . 1 . . . A 52 THR HG21 . 11530 1 607 . 1 1 52 52 THR HG22 H 1 0.499 0.02 . 1 . . . A 52 THR HG22 . 11530 1 608 . 1 1 52 52 THR HG23 H 1 0.499 0.02 . 1 . . . A 52 THR HG23 . 11530 1 609 . 1 1 52 52 THR C C 13 170.8 0.23 . 1 . . . A 52 THR C . 11530 1 610 . 1 1 52 52 THR CA C 13 60.527 0.23 . 1 . . . A 52 THR CA . 11530 1 611 . 1 1 52 52 THR CB C 13 69.965 0.23 . 1 . . . A 52 THR CB . 11530 1 612 . 1 1 52 52 THR CG2 C 13 18.604 0.23 . 1 . . . A 52 THR CG2 . 11530 1 613 . 1 1 52 52 THR N N 15 121.347 0.12 . 1 . . . A 52 THR N . 11530 1 614 . 1 1 53 53 THR H H 1 7.937 0.02 . 1 . . . A 53 THR H . 11530 1 615 . 1 1 53 53 THR HA H 1 4.803 0.02 . 1 . . . A 53 THR HA . 11530 1 616 . 1 1 53 53 THR HB H 1 4.419 0.02 . 1 . . . A 53 THR HB . 11530 1 617 . 1 1 53 53 THR HG21 H 1 0.864 0.02 . 1 . . . A 53 THR HG21 . 11530 1 618 . 1 1 53 53 THR HG22 H 1 0.864 0.02 . 1 . . . A 53 THR HG22 . 11530 1 619 . 1 1 53 53 THR HG23 H 1 0.864 0.02 . 1 . . . A 53 THR HG23 . 11530 1 620 . 1 1 53 53 THR C C 13 176.0 0.23 . 1 . . . A 53 THR C . 11530 1 621 . 1 1 53 53 THR CA C 13 60.432 0.23 . 1 . . . A 53 THR CA . 11530 1 622 . 1 1 53 53 THR CB C 13 69.730 0.23 . 1 . . . A 53 THR CB . 11530 1 623 . 1 1 53 53 THR CG2 C 13 21.833 0.23 . 1 . . . A 53 THR CG2 . 11530 1 624 . 1 1 53 53 THR N N 15 113.163 0.12 . 1 . . . A 53 THR N . 11530 1 625 . 1 1 54 54 SER H H 1 8.896 0.02 . 1 . . . A 54 SER H . 11530 1 626 . 1 1 54 54 SER HA H 1 4.744 0.02 . 1 . . . A 54 SER HA . 11530 1 627 . 1 1 54 54 SER HB2 H 1 3.982 0.02 . 2 . . . A 54 SER HB2 . 11530 1 628 . 1 1 54 54 SER HB3 H 1 3.709 0.02 . 2 . . . A 54 SER HB3 . 11530 1 629 . 1 1 54 54 SER C C 13 171.1 0.23 . 1 . . . A 54 SER C . 11530 1 630 . 1 1 54 54 SER CA C 13 57.533 0.23 . 1 . . . A 54 SER CA . 11530 1 631 . 1 1 54 54 SER CB C 13 63.572 0.23 . 1 . . . A 54 SER CB . 11530 1 632 . 1 1 54 54 SER N N 15 124.456 0.12 . 1 . . . A 54 SER N . 11530 1 633 . 1 1 55 55 PRO HA H 1 3.693 0.02 . 1 . . . A 55 PRO HA . 11530 1 634 . 1 1 55 55 PRO HB2 H 1 1.174 0.02 . 2 . . . A 55 PRO HB2 . 11530 1 635 . 1 1 55 55 PRO HB3 H 1 1.587 0.02 . 2 . . . A 55 PRO HB3 . 11530 1 636 . 1 1 55 55 PRO HG2 H 1 2.011 0.02 . 2 . . . A 55 PRO HG2 . 11530 1 637 . 1 1 55 55 PRO HG3 H 1 1.876 0.02 . 2 . . . A 55 PRO HG3 . 11530 1 638 . 1 1 55 55 PRO HD2 H 1 3.823 0.02 . 2 . . . A 55 PRO HD2 . 11530 1 639 . 1 1 55 55 PRO HD3 H 1 3.630 0.02 . 2 . . . A 55 PRO HD3 . 11530 1 640 . 1 1 55 55 PRO CA C 13 60.338 0.23 . 1 . . . A 55 PRO CA . 11530 1 641 . 1 1 55 55 PRO CB C 13 29.941 0.23 . 1 . . . A 55 PRO CB . 11530 1 642 . 1 1 55 55 PRO CG C 13 27.082 0.23 . 1 . . . A 55 PRO CG . 11530 1 643 . 1 1 55 55 PRO CD C 13 49.859 0.23 . 1 . . . A 55 PRO CD . 11530 1 644 . 1 1 56 56 PRO HA H 1 2.788 0.02 . 1 . . . A 56 PRO HA . 11530 1 645 . 1 1 56 56 PRO HB2 H 1 -0.472 0.02 . 2 . . . A 56 PRO HB2 . 11530 1 646 . 1 1 56 56 PRO HG2 H 1 -0.266 0.02 . 2 . . . A 56 PRO HG2 . 11530 1 647 . 1 1 56 56 PRO HD2 H 1 1.185 0.02 . 2 . . . A 56 PRO HD2 . 11530 1 648 . 1 1 56 56 PRO C C 13 174.1 0.23 . 1 . . . A 56 PRO C . 11530 1 649 . 1 1 56 56 PRO CA C 13 62.008 0.23 . 1 . . . A 56 PRO CA . 11530 1 650 . 1 1 56 56 PRO CB C 13 29.669 0.23 . 1 . . . A 56 PRO CB . 11530 1 651 . 1 1 56 56 PRO CG C 13 25.554 0.23 . 1 . . . A 56 PRO CG . 11530 1 652 . 1 1 56 56 PRO CD C 13 47.629 0.23 . 1 . . . A 56 PRO CD . 11530 1 653 . 1 1 57 57 SER H H 1 6.649 0.02 . 1 . . . A 57 SER H . 11530 1 654 . 1 1 57 57 SER HA H 1 4.266 0.02 . 1 . . . A 57 SER HA . 11530 1 655 . 1 1 57 57 SER HB2 H 1 3.930 0.02 . 2 . . . A 57 SER HB2 . 11530 1 656 . 1 1 57 57 SER HB3 H 1 3.729 0.02 . 2 . . . A 57 SER HB3 . 11530 1 657 . 1 1 57 57 SER C C 13 172.4 0.23 . 1 . . . A 57 SER C . 11530 1 658 . 1 1 57 57 SER CA C 13 56.437 0.23 . 1 . . . A 57 SER CA . 11530 1 659 . 1 1 57 57 SER CB C 13 65.356 0.23 . 1 . . . A 57 SER CB . 11530 1 660 . 1 1 57 57 SER N N 15 112.494 0.12 . 1 . . . A 57 SER N . 11530 1 661 . 1 1 58 58 ASP H H 1 8.311 0.02 . 1 . . . A 58 ASP H . 11530 1 662 . 1 1 58 58 ASP HA H 1 4.779 0.02 . 1 . . . A 58 ASP HA . 11530 1 663 . 1 1 58 58 ASP HB2 H 1 2.631 0.02 . 2 . . . A 58 ASP HB2 . 11530 1 664 . 1 1 58 58 ASP C C 13 175.5 0.23 . 1 . . . A 58 ASP C . 11530 1 665 . 1 1 58 58 ASP CA C 13 53.556 0.23 . 1 . . . A 58 ASP CA . 11530 1 666 . 1 1 58 58 ASP CB C 13 40.396 0.23 . 1 . . . A 58 ASP CB . 11530 1 667 . 1 1 58 58 ASP N N 15 118.631 0.12 . 1 . . . A 58 ASP N . 11530 1 668 . 1 1 59 59 ASP H H 1 7.658 0.02 . 1 . . . A 59 ASP H . 11530 1 669 . 1 1 59 59 ASP HA H 1 4.722 0.02 . 1 . . . A 59 ASP HA . 11530 1 670 . 1 1 59 59 ASP HB2 H 1 2.661 0.02 . 2 . . . A 59 ASP HB2 . 11530 1 671 . 1 1 59 59 ASP HB3 H 1 2.598 0.02 . 2 . . . A 59 ASP HB3 . 11530 1 672 . 1 1 59 59 ASP C C 13 176.5 0.23 . 1 . . . A 59 ASP C . 11530 1 673 . 1 1 59 59 ASP CA C 13 52.024 0.23 . 1 . . . A 59 ASP CA . 11530 1 674 . 1 1 59 59 ASP CB C 13 42.095 0.23 . 1 . . . A 59 ASP CB . 11530 1 675 . 1 1 59 59 ASP N N 15 121.698 0.12 . 1 . . . A 59 ASP N . 11530 1 676 . 1 1 60 60 PRO HA H 1 4.333 0.02 . 1 . . . A 60 PRO HA . 11530 1 677 . 1 1 60 60 PRO HB2 H 1 1.341 0.02 . 2 . . . A 60 PRO HB2 . 11530 1 678 . 1 1 60 60 PRO HB3 H 1 2.174 0.02 . 2 . . . A 60 PRO HB3 . 11530 1 679 . 1 1 60 60 PRO HG2 H 1 1.913 0.02 . 2 . . . A 60 PRO HG2 . 11530 1 680 . 1 1 60 60 PRO HG3 H 1 1.671 0.02 . 2 . . . A 60 PRO HG3 . 11530 1 681 . 1 1 60 60 PRO HD2 H 1 3.9212 0.02 . 2 . . . A 60 PRO HD2 . 11530 1 682 . 1 1 60 60 PRO C C 13 177.2 0.23 . 1 . . . A 60 PRO C . 11530 1 683 . 1 1 60 60 PRO CA C 13 64.369 0.23 . 1 . . . A 60 PRO CA . 11530 1 684 . 1 1 60 60 PRO CB C 13 31.863 0.23 . 1 . . . A 60 PRO CB . 11530 1 685 . 1 1 60 60 PRO CG C 13 26.869 0.23 . 1 . . . A 60 PRO CG . 11530 1 686 . 1 1 60 60 PRO CD C 13 51.272 0.23 . 1 . . . A 60 PRO CD . 11530 1 687 . 1 1 61 61 TYR H H 1 8.254 0.02 . 1 . . . A 61 TYR H . 11530 1 688 . 1 1 61 61 TYR HA H 1 4.726 0.02 . 1 . . . A 61 TYR HA . 11530 1 689 . 1 1 61 61 TYR HB2 H 1 3.387 0.02 . 2 . . . A 61 TYR HB2 . 11530 1 690 . 1 1 61 61 TYR HB3 H 1 2.825 0.02 . 2 . . . A 61 TYR HB3 . 11530 1 691 . 1 1 61 61 TYR HD2 H 1 7.199 0.02 . 3 . . . A 61 TYR HD2 . 11530 1 692 . 1 1 61 61 TYR HE2 H 1 6.836 0.02 . 1 . . . A 61 TYR HE2 . 11530 1 693 . 1 1 61 61 TYR C C 13 176.8 0.23 . 1 . . . A 61 TYR C . 11530 1 694 . 1 1 61 61 TYR CA C 13 56.786 0.23 . 1 . . . A 61 TYR CA . 11530 1 695 . 1 1 61 61 TYR CB C 13 37.193 0.23 . 1 . . . A 61 TYR CB . 11530 1 696 . 1 1 61 61 TYR CD2 C 13 132.948 0.23 . 1 . . . A 61 TYR CD2 . 11530 1 697 . 1 1 61 61 TYR CE2 C 13 118.094 0.23 . 1 . . . A 61 TYR CE2 . 11530 1 698 . 1 1 61 61 TYR N N 15 116.353 0.12 . 1 . . . A 61 TYR N . 11530 1 699 . 1 1 62 62 GLY H H 1 7.697 0.02 . 1 . . . A 62 GLY H . 11530 1 700 . 1 1 62 62 GLY HA2 H 1 4.382 0.02 . 2 . . . A 62 GLY HA2 . 11530 1 701 . 1 1 62 62 GLY HA3 H 1 3.991 0.02 . 2 . . . A 62 GLY HA3 . 11530 1 702 . 1 1 62 62 GLY C C 13 173.9 0.23 . 1 . . . A 62 GLY C . 11530 1 703 . 1 1 62 62 GLY CA C 13 44.756 0.23 . 1 . . . A 62 GLY CA . 11530 1 704 . 1 1 62 62 GLY N N 15 108.548 0.12 . 1 . . . A 62 GLY N . 11530 1 705 . 1 1 63 63 SER H H 1 8.441 0.02 . 1 . . . A 63 SER H . 11530 1 706 . 1 1 63 63 SER HA H 1 3.916 0.02 . 1 . . . A 63 SER HA . 11530 1 707 . 1 1 63 63 SER HB2 H 1 3.659 0.02 . 2 . . . A 63 SER HB2 . 11530 1 708 . 1 1 63 63 SER HB3 H 1 3.347 0.02 . 2 . . . A 63 SER HB3 . 11530 1 709 . 1 1 63 63 SER C C 13 172.4 0.23 . 1 . . . A 63 SER C . 11530 1 710 . 1 1 63 63 SER CA C 13 58.702 0.23 . 1 . . . A 63 SER CA . 11530 1 711 . 1 1 63 63 SER CB C 13 64.255 0.23 . 1 . . . A 63 SER CB . 11530 1 712 . 1 1 63 63 SER N N 15 111.003 0.12 . 1 . . . A 63 SER N . 11530 1 713 . 1 1 64 64 TRP H H 1 8.132 0.02 . 1 . . . A 64 TRP H . 11530 1 714 . 1 1 64 64 TRP HA H 1 4.978 0.02 . 1 . . . A 64 TRP HA . 11530 1 715 . 1 1 64 64 TRP HB2 H 1 2.944 0.02 . 2 . . . A 64 TRP HB2 . 11530 1 716 . 1 1 64 64 TRP HD1 H 1 6.661 0.02 . 1 . . . A 64 TRP HD1 . 11530 1 717 . 1 1 64 64 TRP HE1 H 1 9.798 0.02 . 1 . . . A 64 TRP HE1 . 11530 1 718 . 1 1 64 64 TRP HE3 H 1 6.854 0.02 . 1 . . . A 64 TRP HE3 . 11530 1 719 . 1 1 64 64 TRP HZ2 H 1 6.832 0.02 . 1 . . . A 64 TRP HZ2 . 11530 1 720 . 1 1 64 64 TRP HZ3 H 1 5.896 0.02 . 1 . . . A 64 TRP HZ3 . 11530 1 721 . 1 1 64 64 TRP HH2 H 1 6.770 0.02 . 1 . . . A 64 TRP HH2 . 11530 1 722 . 1 1 64 64 TRP C C 13 175.2 0.23 . 1 . . . A 64 TRP C . 11530 1 723 . 1 1 64 64 TRP CA C 13 55.947 0.23 . 1 . . . A 64 TRP CA . 11530 1 724 . 1 1 64 64 TRP CB C 13 32.485 0.23 . 1 . . . A 64 TRP CB . 11530 1 725 . 1 1 64 64 TRP CD1 C 13 127.565 0.23 . 1 . . . A 64 TRP CD1 . 11530 1 726 . 1 1 64 64 TRP CZ3 C 13 124.027 0.23 . 1 . . . A 64 TRP CZ3 . 11530 1 727 . 1 1 64 64 TRP CH2 C 13 122.787 0.23 . 1 . . . A 64 TRP CH2 . 11530 1 728 . 1 1 64 64 TRP N N 15 118.811 0.12 . 1 . . . A 64 TRP N . 11530 1 729 . 1 1 64 64 TRP NE1 N 15 131.552 0.12 . 1 . . . A 64 TRP NE1 . 11530 1 730 . 1 1 65 65 GLU H H 1 9.764 0.02 . 1 . . . A 65 GLU H . 11530 1 731 . 1 1 65 65 GLU HA H 1 4.687 0.02 . 1 . . . A 65 GLU HA . 11530 1 732 . 1 1 65 65 GLU HB2 H 1 2.126 0.02 . 2 . . . A 65 GLU HB2 . 11530 1 733 . 1 1 65 65 GLU HB3 H 1 1.811 0.02 . 2 . . . A 65 GLU HB3 . 11530 1 734 . 1 1 65 65 GLU HG2 H 1 2.202 0.02 . 2 . . . A 65 GLU HG2 . 11530 1 735 . 1 1 65 65 GLU HG3 H 1 2.039 0.02 . 2 . . . A 65 GLU HG3 . 11530 1 736 . 1 1 65 65 GLU C C 13 175.7 0.23 . 1 . . . A 65 GLU C . 11530 1 737 . 1 1 65 65 GLU CA C 13 54.207 0.23 . 1 . . . A 65 GLU CA . 11530 1 738 . 1 1 65 65 GLU CB C 13 32.665 0.23 . 1 . . . A 65 GLU CB . 11530 1 739 . 1 1 65 65 GLU CG C 13 35.78 0.23 . 1 . . . A 65 GLU CG . 11530 1 740 . 1 1 65 65 GLU N N 15 124.731 0.12 . 1 . . . A 65 GLU N . 11530 1 741 . 1 1 66 66 TYR H H 1 9.055 0.02 . 1 . . . A 66 TYR H . 11530 1 742 . 1 1 66 66 TYR HA H 1 4.288 0.02 . 1 . . . A 66 TYR HA . 11530 1 743 . 1 1 66 66 TYR HB2 H 1 3.083 0.02 . 2 . . . A 66 TYR HB2 . 11530 1 744 . 1 1 66 66 TYR HB3 H 1 2.793 0.02 . 2 . . . A 66 TYR HB3 . 11530 1 745 . 1 1 66 66 TYR HD2 H 1 6.657 0.02 . 3 . . . A 66 TYR HD2 . 11530 1 746 . 1 1 66 66 TYR HE2 H 1 6.513 0.02 . 3 . . . A 66 TYR HE2 . 11530 1 747 . 1 1 66 66 TYR C C 13 175.0 0.23 . 1 . . . A 66 TYR C . 11530 1 748 . 1 1 66 66 TYR CA C 13 58.120 0.23 . 1 . . . A 66 TYR CA . 11530 1 749 . 1 1 66 66 TYR CB C 13 38.320 0.23 . 1 . . . A 66 TYR CB . 11530 1 750 . 1 1 66 66 TYR CD2 C 13 133.681 0.23 . 3 . . . A 66 TYR CD2 . 11530 1 751 . 1 1 66 66 TYR CE2 C 13 118.085 0.23 . 3 . . . A 66 TYR CE2 . 11530 1 752 . 1 1 66 66 TYR N N 15 128.236 0.121 . 1 . . . A 66 TYR N . 11530 1 753 . 1 1 67 67 LEU H H 1 8.524 0.02 . 1 . . . A 67 LEU H . 11530 1 754 . 1 1 67 67 LEU HA H 1 4.167 0.02 . 1 . . . A 67 LEU HA . 11530 1 755 . 1 1 67 67 LEU HB2 H 1 1.129 0.02 . 2 . . . A 67 LEU HB2 . 11530 1 756 . 1 1 67 67 LEU HB3 H 1 1.035 0.02 . 2 . . . A 67 LEU HB3 . 11530 1 757 . 1 1 67 67 LEU HG H 1 1.380 0.02 . 1 . . . A 67 LEU HG . 11530 1 758 . 1 1 67 67 LEU HD11 H 1 0.556 0.02 . 1 . . . A 67 LEU HD11 . 11530 1 759 . 1 1 67 67 LEU HD12 H 1 0.556 0.02 . 1 . . . A 67 LEU HD12 . 11530 1 760 . 1 1 67 67 LEU HD13 H 1 0.556 0.02 . 1 . . . A 67 LEU HD13 . 11530 1 761 . 1 1 67 67 LEU HD21 H 1 0.584 0.02 . 1 . . . A 67 LEU HD21 . 11530 1 762 . 1 1 67 67 LEU HD22 H 1 0.584 0.02 . 1 . . . A 67 LEU HD22 . 11530 1 763 . 1 1 67 67 LEU HD23 H 1 0.584 0.02 . 1 . . . A 67 LEU HD23 . 11530 1 764 . 1 1 67 67 LEU C C 13 176.5 0.23 . 1 . . . A 67 LEU C . 11530 1 765 . 1 1 67 67 LEU CA C 13 54.273 0.23 . 1 . . . A 67 LEU CA . 11530 1 766 . 1 1 67 67 LEU CB C 13 43.541 0.23 . 1 . . . A 67 LEU CB . 11530 1 767 . 1 1 67 67 LEU CG C 13 26.297 0.23 . 1 . . . A 67 LEU CG . 11530 1 768 . 1 1 67 67 LEU CD1 C 13 25.979 0.23 . 1 . . . A 67 LEU CD1 . 11530 1 769 . 1 1 67 67 LEU CD2 C 13 22.406 0.23 . 1 . . . A 67 LEU CD2 . 11530 1 770 . 1 1 67 67 LEU N N 15 128.012 0.12 . 1 . . . A 67 LEU N . 11530 1 771 . 1 1 68 68 GLY H H 1 5.728 0.02 . 1 . . . A 68 GLY H . 11530 1 772 . 1 1 68 68 GLY HA2 H 1 4.015 0.02 . 2 . . . A 68 GLY HA2 . 11530 1 773 . 1 1 68 68 GLY HA3 H 1 3.383 0.02 . 2 . . . A 68 GLY HA3 . 11530 1 774 . 1 1 68 68 GLY C C 13 171.0 0.23 . 1 . . . A 68 GLY C . 11530 1 775 . 1 1 68 68 GLY CA C 13 44.485 0.23 . 1 . . . A 68 GLY CA . 11530 1 776 . 1 1 68 68 GLY N N 15 104.025 0.12 . 1 . . . A 68 GLY N . 11530 1 777 . 1 1 69 69 GLU H H 1 8.465 0.02 . 1 . . . A 69 GLU H . 11530 1 778 . 1 1 69 69 GLU HA H 1 4.407 0.02 . 1 . . . A 69 GLU HA . 11530 1 779 . 1 1 69 69 GLU HB2 H 1 2.129 0.02 . 2 . . . A 69 GLU HB2 . 11530 1 780 . 1 1 69 69 GLU HB3 H 1 1.862 0.02 . 2 . . . A 69 GLU HB3 . 11530 1 781 . 1 1 69 69 GLU HG2 H 1 2.359 0.02 . 2 . . . A 69 GLU HG2 . 11530 1 782 . 1 1 69 69 GLU HG3 H 1 2.275 0.02 . 2 . . . A 69 GLU HG3 . 11530 1 783 . 1 1 69 69 GLU C C 13 176.2 0.23 . 1 . . . A 69 GLU C . 11530 1 784 . 1 1 69 69 GLU CA C 13 55.857 0.23 . 1 . . . A 69 GLU CA . 11530 1 785 . 1 1 69 69 GLU CB C 13 30.967 0.23 . 1 . . . A 69 GLU CB . 11530 1 786 . 1 1 69 69 GLU CG C 13 36.709 0.23 . 1 . . . A 69 GLU CG . 11530 1 787 . 1 1 69 69 GLU N N 15 118.201 0.12 . 1 . . . A 69 GLU N . 11530 1 788 . 1 1 70 70 ALA H H 1 8.246 0.02 . 1 . . . A 70 ALA H . 11530 1 789 . 1 1 70 70 ALA HA H 1 4.083 0.02 . 1 . . . A 70 ALA HA . 11530 1 790 . 1 1 70 70 ALA HB1 H 1 1.028 0.02 . 1 . . . A 70 ALA HB1 . 11530 1 791 . 1 1 70 70 ALA HB2 H 1 1.028 0.02 . 1 . . . A 70 ALA HB2 . 11530 1 792 . 1 1 70 70 ALA HB3 H 1 1.028 0.02 . 1 . . . A 70 ALA HB3 . 11530 1 793 . 1 1 70 70 ALA C C 13 176.7 0.23 . 1 . . . A 70 ALA C . 11530 1 794 . 1 1 70 70 ALA CA C 13 52.193 0.23 . 1 . . . A 70 ALA CA . 11530 1 795 . 1 1 70 70 ALA CB C 13 18.73 0.23 . 1 . . . A 70 ALA CB . 11530 1 796 . 1 1 70 70 ALA N N 15 123.771 0.12 . 1 . . . A 70 ALA N . 11530 1 797 . 1 1 71 71 GLU H H 1 8.115 0.02 . 1 . . . A 71 GLU H . 11530 1 798 . 1 1 71 71 GLU HA H 1 4.446 0.02 . 1 . . . A 71 GLU HA . 11530 1 799 . 1 1 71 71 GLU HB2 H 1 1.925 0.02 . 2 . . . A 71 GLU HB2 . 11530 1 800 . 1 1 71 71 GLU HB3 H 1 1.771 0.02 . 2 . . . A 71 GLU HB3 . 11530 1 801 . 1 1 71 71 GLU HG2 H 1 2.162 0.02 . 2 . . . A 71 GLU HG2 . 11530 1 802 . 1 1 71 71 GLU C C 13 174.1 0.23 . 1 . . . A 71 GLU C . 11530 1 803 . 1 1 71 71 GLU CA C 13 53.838 0.23 . 1 . . . A 71 GLU CA . 11530 1 804 . 1 1 71 71 GLU CB C 13 30.014 0.23 . 1 . . . A 71 GLU CB . 11530 1 805 . 1 1 71 71 GLU CG C 13 35.733 0.23 . 1 . . . A 71 GLU CG . 11530 1 806 . 1 1 71 71 GLU N N 15 120.755 0.12 . 1 . . . A 71 GLU N . 11530 1 807 . 1 1 72 72 PRO HA H 1 4.383 0.02 . 1 . . . A 72 PRO HA . 11530 1 808 . 1 1 72 72 PRO HB2 H 1 1.904 0.02 . 2 . . . A 72 PRO HB2 . 11530 1 809 . 1 1 72 72 PRO HB3 H 1 2.156 0.02 . 2 . . . A 72 PRO HB3 . 11530 1 810 . 1 1 72 72 PRO HG2 H 1 1.954 0.02 . 2 . . . A 72 PRO HG2 . 11530 1 811 . 1 1 72 72 PRO HD2 H 1 3.580 0.02 . 2 . . . A 72 PRO HD2 . 11530 1 812 . 1 1 72 72 PRO C C 13 176.4 0.23 . 1 . . . A 72 PRO C . 11530 1 813 . 1 1 72 72 PRO CA C 13 63.243 0.23 . 1 . . . A 72 PRO CA . 11530 1 814 . 1 1 72 72 PRO CB C 13 31.934 0.23 . 1 . . . A 72 PRO CB . 11530 1 815 . 1 1 72 72 PRO CG C 13 27.178 0.23 . 1 . . . A 72 PRO CG . 11530 1 816 . 1 1 72 72 PRO CD C 13 50.586 0.23 . 1 . . . A 72 PRO CD . 11530 1 817 . 1 1 73 73 THR H H 1 7.796 0.02 . 1 . . . A 73 THR H . 11530 1 818 . 1 1 73 73 THR HA H 1 4.089 0.02 . 1 . . . A 73 THR HA . 11530 1 819 . 1 1 73 73 THR HB H 1 4.162 0.02 . 1 . . . A 73 THR HB . 11530 1 820 . 1 1 73 73 THR HG21 H 1 1.136 0.02 . 1 . . . A 73 THR HG21 . 11530 1 821 . 1 1 73 73 THR HG22 H 1 1.136 0.02 . 1 . . . A 73 THR HG22 . 11530 1 822 . 1 1 73 73 THR HG23 H 1 1.136 0.02 . 1 . . . A 73 THR HG23 . 11530 1 823 . 1 1 73 73 THR CA C 13 63.056 0.23 . 1 . . . A 73 THR CA . 11530 1 824 . 1 1 73 73 THR CB C 13 70.828 0.23 . 1 . . . A 73 THR CB . 11530 1 825 . 1 1 73 73 THR CG2 C 13 21.943 0.23 . 1 . . . A 73 THR CG2 . 11530 1 826 . 1 1 73 73 THR N N 15 119.824 0.12 . 1 . . . A 73 THR N . 11530 1 stop_ save_