data_25991 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25991 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments of HAdV E1ACR3 (E1A CR3) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-03-11 _Entry.Accession_date 2016-03-17 _Entry.Last_release_date 2016-03-14 _Entry.Original_release_date 2016-03-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.99 _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.ORCID _Entry_author.Entry_ID 1 Tomas Hosek . O.C. . . 25991 2 Marcela Nogueira . O. . . 25991 3 Eduardo Calcada . O. . . 25991 4 Talita Pagani . D. . . 25991 5 Nicola Salvi . . . . 25991 6 Isabella Felli . C. . . 25991 7 Roberta Pierattelli . . . . 25991 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25991 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 191 25991 '15N chemical shifts' 50 25991 '1H chemical shifts' 287 25991 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 . . 2017-09-25 . original BMRB . 25991 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25989 '1H, 13C, and 15N Chemical Shift Assignments of HAdV E1A243 (E1A 12S)' 25991 BMRB 25990 '1H, 13C, and 15N Chemical Shift Assignments of HAdV E1A289 (E1A-13S)' 25991 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25991 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27490777 _Citation.Full_citation . _Citation.Title ; Structural and Dynamic Characterization of the Molecular Hub Early Region 1A (E1A) from Human Adenovirus ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Chemistry _Citation.Journal_name_full 'Chemistry (Weinheim an der Bergstrasse, Germany)' _Citation.Journal_volume 22 _Citation.Journal_issue 37 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1521-3765 _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 13010 _Citation.Page_last 13013 _Citation.Year 2016 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Tomas Hosek . . . . 25991 1 2 Eduardo Calcada . O. . . 25991 1 3 Marcela Nogueira . O. . . 25991 1 4 Nicola Salvi . . . . 25991 1 5 Talita Pagani . D. . . 25991 1 6 Isabella Felli . C. . . 25991 1 7 Roberta Pierattelli . . . . 25991 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25991 _Assembly.ID 1 _Assembly.Name E1A-CR3 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 E1A-CR3 1 $E1A-CR3 A . yes native no no . . . 25991 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_E1A-CR3 _Entity.Sf_category entity _Entity.Sf_framecode E1A-CR3 _Entity.Entry_ID 25991 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name E1A-CR3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MDEEGEEFVLDYVEHPGHGC RSCHYHRRNTGDPDIMCSLC YMRTCGMFVYSPVSE ; _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 55 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . 25991 1 2 136 ASP . 25991 1 3 137 GLU . 25991 1 4 138 GLU . 25991 1 5 139 GLY . 25991 1 6 140 GLU . 25991 1 7 141 GLU . 25991 1 8 142 PHE . 25991 1 9 143 VAL . 25991 1 10 144 LEU . 25991 1 11 145 ASP . 25991 1 12 146 TYR . 25991 1 13 147 VAL . 25991 1 14 148 GLU . 25991 1 15 149 HIS . 25991 1 16 150 PRO . 25991 1 17 151 GLY . 25991 1 18 152 HIS . 25991 1 19 153 GLY . 25991 1 20 154 CYS . 25991 1 21 155 ARG . 25991 1 22 156 SER . 25991 1 23 157 CYS . 25991 1 24 158 HIS . 25991 1 25 159 TYR . 25991 1 26 160 HIS . 25991 1 27 161 ARG . 25991 1 28 162 ARG . 25991 1 29 163 ASN . 25991 1 30 164 THR . 25991 1 31 165 GLY . 25991 1 32 166 ASP . 25991 1 33 167 PRO . 25991 1 34 168 ASP . 25991 1 35 169 ILE . 25991 1 36 170 MET . 25991 1 37 171 CYS . 25991 1 38 172 SER . 25991 1 39 173 LEU . 25991 1 40 174 CYS . 25991 1 41 175 TYR . 25991 1 42 176 MET . 25991 1 43 177 ARG . 25991 1 44 178 THR . 25991 1 45 179 CYS . 25991 1 46 180 GLY . 25991 1 47 181 MET . 25991 1 48 182 PHE . 25991 1 49 183 VAL . 25991 1 50 184 TYR . 25991 1 51 185 SER . 25991 1 52 186 PRO . 25991 1 53 187 VAL . 25991 1 54 188 SER . 25991 1 55 189 GLU . 25991 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 25991 1 . ASP 2 2 25991 1 . GLU 3 3 25991 1 . GLU 4 4 25991 1 . GLY 5 5 25991 1 . GLU 6 6 25991 1 . GLU 7 7 25991 1 . PHE 8 8 25991 1 . VAL 9 9 25991 1 . LEU 10 10 25991 1 . ASP 11 11 25991 1 . TYR 12 12 25991 1 . VAL 13 13 25991 1 . GLU 14 14 25991 1 . HIS 15 15 25991 1 . PRO 16 16 25991 1 . GLY 17 17 25991 1 . HIS 18 18 25991 1 . GLY 19 19 25991 1 . CYS 20 20 25991 1 . ARG 21 21 25991 1 . SER 22 22 25991 1 . CYS 23 23 25991 1 . HIS 24 24 25991 1 . TYR 25 25 25991 1 . HIS 26 26 25991 1 . ARG 27 27 25991 1 . ARG 28 28 25991 1 . ASN 29 29 25991 1 . THR 30 30 25991 1 . GLY 31 31 25991 1 . ASP 32 32 25991 1 . PRO 33 33 25991 1 . ASP 34 34 25991 1 . ILE 35 35 25991 1 . MET 36 36 25991 1 . CYS 37 37 25991 1 . SER 38 38 25991 1 . LEU 39 39 25991 1 . CYS 40 40 25991 1 . TYR 41 41 25991 1 . MET 42 42 25991 1 . ARG 43 43 25991 1 . THR 44 44 25991 1 . CYS 45 45 25991 1 . GLY 46 46 25991 1 . MET 47 47 25991 1 . PHE 48 48 25991 1 . VAL 49 49 25991 1 . TYR 50 50 25991 1 . SER 51 51 25991 1 . PRO 52 52 25991 1 . VAL 53 53 25991 1 . SER 54 54 25991 1 . GLU 55 55 25991 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 25991 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $E1A-CR3 . 10515 virus . 'Human adenovirus 2' 'Human adenovirus 2' . . Viruses . Mastadenovirus 'Human mastadenovirus C' . . . . . . . . . . . . . 25991 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 25991 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $E1A-CR3 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli 'BL21 (DE3)' . . . . . pET21a . . . 25991 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25991 _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 E1A-CR3 '[U-100% 13C; U-100% 15N]' . . 1 $E1A-CR3 . protein 0.07 . . mM . . . . 25991 1 2 HEPES 'natural abundance' . . . . . buffer 10 . . mM . . . . 25991 1 3 'potassium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 25991 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 25991 1 5 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 25991 1 6 D2O [U-2H] . . . . . solvent 10 . . % . . . . 25991 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25991 _Sample.ID 2 _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 E1A-CR3 '[U-100% 13C; U-100% 15N]' . . 1 $E1A-CR3 . protein 0.14 . . mM . . . . 25991 2 2 HEPES 'natural abundance' . . . . . buffer 10 . . mM . . . . 25991 2 3 'potassium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 25991 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 25991 2 5 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 25991 2 6 D2O [U-2H] . . . . . solvent 10 . . % . . . . 25991 2 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 25991 _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' 50 . mM 25991 1 pH 7.5 . pH 25991 1 pressure 1 . atm 25991 1 temperature 288 . K 25991 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25991 _Software.ID 1 _Software.Name TOPSPIN _Software.Version '2.0 and 3.1' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25991 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25991 1 stop_ save_ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 25991 _Software.ID 2 _Software.Name CcpNMR _Software.Version v2.3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25991 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25991 2 'data analysis' 25991 2 'peak picking' 25991 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25991 _Software.ID 3 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25991 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25991 3 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 25991 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25991 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25991 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 25991 _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 Avance . 700 . . . 25991 1 2 spectrometer_2 Bruker Avance . 950 . . . 25991 1 3 spectrometer_3 Bruker Avance . 900 . . . 25991 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 25991 _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 . . . . . . . . . . . . . . . . 25991 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25991 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25991 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25991 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25991 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25991 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25991 1 8 '2D 1H-15N BEST TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25991 1 9 '3D BEST TROSY HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25991 1 10 '3D CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25991 1 11 '3D BEST TROSY HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25991 1 12 '3D BEST TROSY HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25991 1 13 '3D BEST TROSY HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25991 1 14 '3D BEST TROSY HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25991 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 25991 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25991 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25991 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25991 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 25991 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 25991 1 2 '2D 1H-15N HSQC' 2 $sample_2 isotropic 25991 1 3 '2D 1H-13C HSQC' 2 $sample_2 isotropic 25991 1 4 '3D HNCA' 1 $sample_1 isotropic 25991 1 5 '3D HNCO' 1 $sample_1 isotropic 25991 1 6 '3D CBCA(CO)NH' 1 $sample_1 isotropic 25991 1 7 '3D HCCH-TOCSY' 2 $sample_2 isotropic 25991 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 ASP H H 1 8.686 0.02 . 1 . . . . 136 D H . 25991 1 2 . 1 1 2 2 ASP HA H 1 4.625 0.02 . 1 . . . . 136 D HA . 25991 1 3 . 1 1 2 2 ASP HB2 H 1 2.771 0.02 . 1 . . . . 136 D HB2 . 25991 1 4 . 1 1 2 2 ASP HB3 H 1 2.631 0.02 . 1 . . . . 136 D HB3 . 25991 1 5 . 1 1 2 2 ASP C C 13 175.92 0.1 . 1 . . . . 136 D C . 25991 1 6 . 1 1 2 2 ASP CA C 13 54.52 0.1 . 1 . . . . 136 D CA . 25991 1 7 . 1 1 2 2 ASP CB C 13 40.493 0.1 . 1 . . . . 136 D CB . 25991 1 8 . 1 1 3 3 GLU H H 1 8.69 0.02 . 1 . . . . 137 E H . 25991 1 9 . 1 1 3 3 GLU HA H 1 4.221 0.02 . 1 . . . . 137 E HA . 25991 1 10 . 1 1 3 3 GLU HB2 H 1 2.03 0.02 . 1 . . . . 137 E HB2 . 25991 1 11 . 1 1 3 3 GLU HB3 H 1 1.907 0.02 . 1 . . . . 137 E HB3 . 25991 1 12 . 1 1 3 3 GLU HG2 H 1 2.258 0.02 . 1 . . . . 137 E QG . 25991 1 13 . 1 1 3 3 GLU HG3 H 1 2.258 0.02 . 1 . . . . 137 E QG . 25991 1 14 . 1 1 3 3 GLU C C 13 176.66 0.1 . 1 . . . . 137 E C . 25991 1 15 . 1 1 3 3 GLU CA C 13 56.458 0.1 . 1 . . . . 137 E CA . 25991 1 16 . 1 1 3 3 GLU CB C 13 29.848 0.1 . 1 . . . . 137 E CB . 25991 1 17 . 1 1 3 3 GLU CG C 13 36.016 0.1 . 1 . . . . 137 E CG . 25991 1 18 . 1 1 3 3 GLU N N 15 121.486 0.1 . 1 . . . . 137 E N . 25991 1 19 . 1 1 4 4 GLU H H 1 8.612 0.02 . 1 . . . . 138 E H . 25991 1 20 . 1 1 4 4 GLU HA H 1 4.268 0.02 . 1 . . . . 138 E HA . 25991 1 21 . 1 1 4 4 GLU HB2 H 1 2.063 0.02 . 1 . . . . 138 E HB2 . 25991 1 22 . 1 1 4 4 GLU HB3 H 1 1.953 0.02 . 1 . . . . 138 E HB3 . 25991 1 23 . 1 1 4 4 GLU HG2 H 1 2.234 0.02 . 1 . . . . 138 E HG2 . 25991 1 24 . 1 1 4 4 GLU HG3 H 1 2.165 0.02 . 1 . . . . 138 E HG3 . 25991 1 25 . 1 1 4 4 GLU C C 13 177.037 0.1 . 1 . . . . 138 E C . 25991 1 26 . 1 1 4 4 GLU CA C 13 56.309 0.1 . 1 . . . . 138 E CA . 25991 1 27 . 1 1 4 4 GLU CB C 13 29.86 0.1 . 1 . . . . 138 E CB . 25991 1 28 . 1 1 4 4 GLU CG C 13 35.783 0.1 . 1 . . . . 138 E CG . 25991 1 29 . 1 1 4 4 GLU N N 15 122.072 0.1 . 1 . . . . 138 E N . 25991 1 30 . 1 1 5 5 GLY H H 1 8.45 0.02 . 1 . . . . 139 G H . 25991 1 31 . 1 1 5 5 GLY HA2 H 1 3.978 0.02 . 1 . . . . 139 G QA . 25991 1 32 . 1 1 5 5 GLY HA3 H 1 3.978 0.02 . 1 . . . . 139 G QA . 25991 1 33 . 1 1 5 5 GLY C C 13 174.204 0.1 . 1 . . . . 139 G C . 25991 1 34 . 1 1 5 5 GLY CA C 13 44.753 0.1 . 1 . . . . 139 G CA . 25991 1 35 . 1 1 5 5 GLY N N 15 110.115 0.1 . 1 . . . . 139 G N . 25991 1 36 . 1 1 6 6 GLU H H 1 8.318 0.02 . 1 . . . . 140 E H . 25991 1 37 . 1 1 6 6 GLU HA H 1 4.212 0.02 . 1 . . . . 140 E HA . 25991 1 38 . 1 1 6 6 GLU HB2 H 1 1.955 0.02 . 1 . . . . 140 E HB2 . 25991 1 39 . 1 1 6 6 GLU HB3 H 1 1.87 0.02 . 1 . . . . 140 E HB3 . 25991 1 40 . 1 1 6 6 GLU HG2 H 1 2.159 0.02 . 1 . . . . 140 E HG2 . 25991 1 41 . 1 1 6 6 GLU HG3 H 1 1.97 0.02 . 1 . . . . 140 E HG3 . 25991 1 42 . 1 1 6 6 GLU C C 13 176.49 0.1 . 1 . . . . 140 E C . 25991 1 43 . 1 1 6 6 GLU CA C 13 56.309 0.1 . 1 . . . . 140 E CA . 25991 1 44 . 1 1 6 6 GLU CB C 13 30.072 0.1 . 1 . . . . 140 E CB . 25991 1 45 . 1 1 6 6 GLU CG C 13 35.718 0.1 . 1 . . . . 140 E CG . 25991 1 46 . 1 1 6 6 GLU N N 15 120.822 0.1 . 1 . . . . 140 E N . 25991 1 47 . 1 1 7 7 GLU H H 1 8.576 0.02 . 1 . . . . 141 E H . 25991 1 48 . 1 1 7 7 GLU HA H 1 4.094 0.02 . 1 . . . . 141 E HA . 25991 1 49 . 1 1 7 7 GLU HB2 H 1 1.783 0.02 . 1 . . . . 141 E QB . 25991 1 50 . 1 1 7 7 GLU HB3 H 1 1.783 0.02 . 1 . . . . 141 E QB . 25991 1 51 . 1 1 7 7 GLU HG3 H 1 2.093 0.02 . 1 . . . . 141 E HG3 . 25991 1 52 . 1 1 7 7 GLU C C 13 176.09 0.1 . 1 . . . . 141 E C . 25991 1 53 . 1 1 7 7 GLU CA C 13 56.355 0.1 . 1 . . . . 141 E CA . 25991 1 54 . 1 1 7 7 GLU CB C 13 30.081 0.1 . 1 . . . . 141 E CB . 25991 1 55 . 1 1 7 7 GLU CG C 13 35.734 0.1 . 1 . . . . 141 E CG . 25991 1 56 . 1 1 7 7 GLU N N 15 121.644 0.1 . 1 . . . . 141 E N . 25991 1 57 . 1 1 8 8 PHE H H 1 8.189 0.02 . 1 . . . . 142 F H . 25991 1 58 . 1 1 8 8 PHE HA H 1 4.598 0.02 . 1 . . . . 142 F HA . 25991 1 59 . 1 1 8 8 PHE HB2 H 1 3.092 0.02 . 1 . . . . 142 F HB2 . 25991 1 60 . 1 1 8 8 PHE HB3 H 1 2.914 0.02 . 1 . . . . 142 F HB3 . 25991 1 61 . 1 1 8 8 PHE C C 13 175.35 0.1 . 1 . . . . 142 F C . 25991 1 62 . 1 1 8 8 PHE CA C 13 57.214 0.1 . 1 . . . . 142 F CA . 25991 1 63 . 1 1 8 8 PHE CB C 13 39.231 0.1 . 1 . . . . 142 F CB . 25991 1 64 . 1 1 8 8 PHE N N 15 121.568 0.1 . 1 . . . . 142 F N . 25991 1 65 . 1 1 9 9 VAL H H 1 7.958 0.02 . 1 . . . . 143 V H . 25991 1 66 . 1 1 9 9 VAL HA H 1 4.042 0.02 . 1 . . . . 143 V HA . 25991 1 67 . 1 1 9 9 VAL HB H 1 1.988 0.02 . 1 . . . . 143 V HB . 25991 1 68 . 1 1 9 9 VAL HG11 H 1 0.878 0.02 . 1 . . . . 143 V QQG . 25991 1 69 . 1 1 9 9 VAL HG12 H 1 0.878 0.02 . 1 . . . . 143 V QQG . 25991 1 70 . 1 1 9 9 VAL HG13 H 1 0.878 0.02 . 1 . . . . 143 V QQG . 25991 1 71 . 1 1 9 9 VAL HG21 H 1 0.878 0.02 . 1 . . . . 143 V QQG . 25991 1 72 . 1 1 9 9 VAL HG22 H 1 0.878 0.02 . 1 . . . . 143 V QQG . 25991 1 73 . 1 1 9 9 VAL HG23 H 1 0.878 0.02 . 1 . . . . 143 V QQG . 25991 1 74 . 1 1 9 9 VAL C C 13 175.54 0.1 . 1 . . . . 143 V C . 25991 1 75 . 1 1 9 9 VAL CA C 13 61.555 0.1 . 1 . . . . 143 V CA . 25991 1 76 . 1 1 9 9 VAL CB C 13 32.627 0.1 . 1 . . . . 143 V CB . 25991 1 77 . 1 1 9 9 VAL CG1 C 13 20.479 0.1 . 1 . . . . 143 V CG1 . 25991 1 78 . 1 1 9 9 VAL CG2 C 13 20.683 0.1 . 1 . . . . 143 V CG2 . 25991 1 79 . 1 1 9 9 VAL N N 15 122.536 0.1 . 1 . . . . 143 V N . 25991 1 80 . 1 1 10 10 LEU H H 1 8.365 0.02 . 1 . . . . 144 L H . 25991 1 81 . 1 1 10 10 LEU HA H 1 4.343 0.02 . 1 . . . . 144 L HA . 25991 1 82 . 1 1 10 10 LEU HB2 H 1 1.507 0.02 . 1 . . . . 144 L QB . 25991 1 83 . 1 1 10 10 LEU HB3 H 1 1.507 0.02 . 1 . . . . 144 L QB . 25991 1 84 . 1 1 10 10 LEU HD11 H 1 0.975 0.02 . 1 . . . . 144 L QD1 . 25991 1 85 . 1 1 10 10 LEU HD12 H 1 0.975 0.02 . 1 . . . . 144 L QD1 . 25991 1 86 . 1 1 10 10 LEU HD13 H 1 0.975 0.02 . 1 . . . . 144 L QD1 . 25991 1 87 . 1 1 10 10 LEU HD21 H 1 0.858 0.02 . 1 . . . . 144 L QD2 . 25991 1 88 . 1 1 10 10 LEU HD22 H 1 0.858 0.02 . 1 . . . . 144 L QD2 . 25991 1 89 . 1 1 10 10 LEU HD23 H 1 0.858 0.02 . 1 . . . . 144 L QD2 . 25991 1 90 . 1 1 10 10 LEU HG H 1 1.608 0.02 . 1 . . . . 144 L HG . 25991 1 91 . 1 1 10 10 LEU C C 13 176.05 0.1 . 1 . . . . 144 L C . 25991 1 92 . 1 1 10 10 LEU CA C 13 54.497 0.1 . 1 . . . . 144 L CA . 25991 1 93 . 1 1 10 10 LEU CB C 13 42.208 0.1 . 1 . . . . 144 L CB . 25991 1 94 . 1 1 10 10 LEU CD1 C 13 24.762 0.1 . 1 . . . . 144 L CD1 . 25991 1 95 . 1 1 10 10 LEU CD2 C 13 23.391 0.1 . 1 . . . . 144 L CD2 . 25991 1 96 . 1 1 10 10 LEU CG C 13 26.603 0.1 . 1 . . . . 144 L CG . 25991 1 97 . 1 1 10 10 LEU N N 15 125.799 0.1 . 1 . . . . 144 L N . 25991 1 98 . 1 1 11 11 ASP H H 1 8.299 0.02 . 1 . . . . 145 D H . 25991 1 99 . 1 1 11 11 ASP HA H 1 4.607 0.02 . 1 . . . . 145 D HA . 25991 1 100 . 1 1 11 11 ASP HB2 H 1 2.813 0.02 . 1 . . . . 145 D HB2 . 25991 1 101 . 1 1 11 11 ASP HB3 H 1 2.628 0.02 . 1 . . . . 145 D HB3 . 25991 1 102 . 1 1 11 11 ASP C C 13 175.46 0.1 . 1 . . . . 145 D C . 25991 1 103 . 1 1 11 11 ASP CA C 13 54.452 0.1 . 1 . . . . 145 D CA . 25991 1 104 . 1 1 11 11 ASP CB C 13 41.159 0.1 . 1 . . . . 145 D CB . 25991 1 105 . 1 1 11 11 ASP N N 15 121.759 0.1 . 1 . . . . 145 D N . 25991 1 106 . 1 1 12 12 TYR H H 1 8.204 0.02 . 1 . . . . 146 Y H . 25991 1 107 . 1 1 12 12 TYR HA H 1 4.46 0.02 . 1 . . . . 146 Y HA . 25991 1 108 . 1 1 12 12 TYR HB2 H 1 2.966 0.02 . 1 . . . . 146 Y HB2 . 25991 1 109 . 1 1 12 12 TYR HB3 H 1 2.893 0.02 . 1 . . . . 146 Y HB3 . 25991 1 110 . 1 1 12 12 TYR C C 13 175.258 0.1 . 1 . . . . 146 Y C . 25991 1 111 . 1 1 12 12 TYR CA C 13 57.526 0.1 . 1 . . . . 146 Y CA . 25991 1 112 . 1 1 12 12 TYR CB C 13 38.144 0.1 . 1 . . . . 146 Y CB . 25991 1 113 . 1 1 12 12 TYR N N 15 121.899 0.1 . 1 . . . . 146 Y N . 25991 1 114 . 1 1 13 13 VAL H H 1 7.778 0.02 . 1 . . . . 147 V H . 25991 1 115 . 1 1 13 13 VAL HA H 1 4.047 0.02 . 1 . . . . 147 V HA . 25991 1 116 . 1 1 13 13 VAL HB H 1 2.066 0.02 . 1 . . . . 147 V HB . 25991 1 117 . 1 1 13 13 VAL HG11 H 1 0.847 0.02 . 1 . . . . 147 V QQG . 25991 1 118 . 1 1 13 13 VAL HG12 H 1 0.847 0.02 . 1 . . . . 147 V QQG . 25991 1 119 . 1 1 13 13 VAL HG13 H 1 0.847 0.02 . 1 . . . . 147 V QQG . 25991 1 120 . 1 1 13 13 VAL HG21 H 1 0.847 0.02 . 1 . . . . 147 V QQG . 25991 1 121 . 1 1 13 13 VAL HG22 H 1 0.847 0.02 . 1 . . . . 147 V QQG . 25991 1 122 . 1 1 13 13 VAL HG23 H 1 0.847 0.02 . 1 . . . . 147 V QQG . 25991 1 123 . 1 1 13 13 VAL C C 13 175.66 0.1 . 1 . . . . 147 V C . 25991 1 124 . 1 1 13 13 VAL CA C 13 61.337 0.1 . 1 . . . . 147 V CA . 25991 1 125 . 1 1 13 13 VAL CB C 13 32.645 0.1 . 1 . . . . 147 V CB . 25991 1 126 . 1 1 13 13 VAL CG1 C 13 21.041 0.1 . 1 . . . . 147 V CG1 . 25991 1 127 . 1 1 13 13 VAL CG2 C 13 20.133 0.1 . 1 . . . . 147 V CG2 . 25991 1 128 . 1 1 13 13 VAL N N 15 122.856 0.1 . 1 . . . . 147 V N . 25991 1 129 . 1 1 14 14 GLU H H 1 8.469 0.02 . 1 . . . . 148 E H . 25991 1 130 . 1 1 14 14 GLU HA H 1 3.942 0.02 . 1 . . . . 148 E HA . 25991 1 131 . 1 1 14 14 GLU C C 13 178.549 0.1 . 1 . . . . 148 E C . 25991 1 132 . 1 1 14 14 GLU CA C 13 57.585 0.1 . 1 . . . . 148 E CA . 25991 1 133 . 1 1 14 14 GLU N N 15 125 0.1 . 1 . . . . 148 E N . 25991 1 134 . 1 1 15 15 HIS H H 1 8.586 0.02 . 1 . . . . 149 H H . 25991 1 135 . 1 1 15 15 HIS HA H 1 4.989 0.02 . 1 . . . . 149 H HA . 25991 1 136 . 1 1 15 15 HIS HB2 H 1 2.956 0.02 . 1 . . . . 149 H QB . 25991 1 137 . 1 1 15 15 HIS HB3 H 1 2.956 0.02 . 1 . . . . 149 H QB . 25991 1 138 . 1 1 15 15 HIS CA C 13 52.124 0.1 . 1 . . . . 149 H CA . 25991 1 139 . 1 1 15 15 HIS CB C 13 30.109 0.1 . 1 . . . . 149 H CB . 25991 1 140 . 1 1 15 15 HIS N N 15 120.011 0.1 . 1 . . . . 149 H N . 25991 1 141 . 1 1 16 16 PRO HA H 1 4.454 0.02 . 1 . . . . 150 P HA . 25991 1 142 . 1 1 16 16 PRO HB2 H 1 2.218 0.02 . 1 . . . . 150 P QB . 25991 1 143 . 1 1 16 16 PRO HB3 H 1 2.218 0.02 . 1 . . . . 150 P QB . 25991 1 144 . 1 1 16 16 PRO HD2 H 1 3.72 0.02 . 1 . . . . 150 P HD2 . 25991 1 145 . 1 1 16 16 PRO HD3 H 1 3.611 0.02 . 1 . . . . 150 P HD3 . 25991 1 146 . 1 1 16 16 PRO HG2 H 1 1.978 0.02 . 1 . . . . 150 P QG . 25991 1 147 . 1 1 16 16 PRO HG3 H 1 1.978 0.02 . 1 . . . . 150 P QG . 25991 1 148 . 1 1 16 16 PRO C C 13 177.63 0.1 . 1 . . . . 150 P C . 25991 1 149 . 1 1 16 16 PRO CA C 13 63.228 0.1 . 1 . . . . 150 P CA . 25991 1 150 . 1 1 16 16 PRO CB C 13 31.811 0.1 . 1 . . . . 150 P CB . 25991 1 151 . 1 1 16 16 PRO CD C 13 50.366 0.1 . 1 . . . . 150 P CD . 25991 1 152 . 1 1 16 16 PRO CG C 13 27.152 0.1 . 1 . . . . 150 P CG . 25991 1 153 . 1 1 17 17 GLY H H 1 9.553 0.02 . 1 . . . . 151 G H . 25991 1 154 . 1 1 17 17 GLY HA2 H 1 4.045 0.02 . 1 . . . . 151 G QA . 25991 1 155 . 1 1 17 17 GLY HA3 H 1 4.045 0.02 . 1 . . . . 151 G QA . 25991 1 156 . 1 1 17 17 GLY C C 13 174.183 0.1 . 1 . . . . 151 G C . 25991 1 157 . 1 1 17 17 GLY CA C 13 45.157 0.1 . 1 . . . . 151 G CA . 25991 1 158 . 1 1 17 17 GLY N N 15 111.912 0.1 . 1 . . . . 151 G N . 25991 1 159 . 1 1 18 18 HIS H H 1 8.294 0.02 . 1 . . . . 152 H H . 25991 1 160 . 1 1 18 18 HIS HA H 1 4.82 0.02 . 1 . . . . 152 H HA . 25991 1 161 . 1 1 18 18 HIS HB2 H 1 3.183 0.02 . 1 . . . . 152 H QB . 25991 1 162 . 1 1 18 18 HIS HB3 H 1 3.183 0.02 . 1 . . . . 152 H QB . 25991 1 163 . 1 1 18 18 HIS C C 13 175.221 0.1 . 1 . . . . 152 H C . 25991 1 164 . 1 1 18 18 HIS CA C 13 55.175 0.1 . 1 . . . . 152 H CA . 25991 1 165 . 1 1 18 18 HIS CB C 13 30.443 0.1 . 1 . . . . 152 H CB . 25991 1 166 . 1 1 18 18 HIS N N 15 119.981 0.1 . 1 . . . . 152 H N . 25991 1 167 . 1 1 19 19 GLY H H 1 8.786 0.02 . 1 . . . . 153 G H . 25991 1 168 . 1 1 19 19 GLY HA2 H 1 3.904 0.02 . 1 . . . . 153 G QA . 25991 1 169 . 1 1 19 19 GLY HA3 H 1 3.904 0.02 . 1 . . . . 153 G QA . 25991 1 170 . 1 1 19 19 GLY C C 13 173.44 0.1 . 1 . . . . 153 G C . 25991 1 171 . 1 1 19 19 GLY CA C 13 45.266 0.1 . 1 . . . . 153 G CA . 25991 1 172 . 1 1 19 19 GLY N N 15 111.94 0.1 . 1 . . . . 153 G N . 25991 1 173 . 1 1 20 20 CYS H H 1 7.78 0.02 . 1 . . . . 154 C H . 25991 1 174 . 1 1 20 20 CYS HA H 1 5.129 0.02 . 1 . . . . 154 C HA . 25991 1 175 . 1 1 20 20 CYS C C 13 176.876 0.1 . 1 . . . . 154 C C . 25991 1 176 . 1 1 20 20 CYS CA C 13 56.657 0.1 . 1 . . . . 154 C CA . 25991 1 177 . 1 1 20 20 CYS CB C 13 30.898 0.1 . 1 . . . . 154 C CB . 25991 1 178 . 1 1 20 20 CYS N N 15 125.1 0.1 . 1 . . . . 154 C N . 25991 1 179 . 1 1 21 21 ARG H H 1 9.477 0.02 . 1 . . . . 155 R H . 25991 1 180 . 1 1 21 21 ARG HA H 1 4.109 0.02 . 1 . . . . 155 R HA . 25991 1 181 . 1 1 21 21 ARG HB2 H 1 1.793 0.02 . 1 . . . . 155 R QB . 25991 1 182 . 1 1 21 21 ARG HB3 H 1 1.793 0.02 . 1 . . . . 155 R QB . 25991 1 183 . 1 1 21 21 ARG HG2 H 1 2.119 0.02 . 1 . . . . 155 R QG . 25991 1 184 . 1 1 21 21 ARG HG3 H 1 2.119 0.02 . 1 . . . . 155 R QG . 25991 1 185 . 1 1 21 21 ARG C C 13 178.538 0.1 . 1 . . . . 155 R C . 25991 1 186 . 1 1 21 21 ARG CA C 13 59.026 0.1 . 1 . . . . 155 R CA . 25991 1 187 . 1 1 21 21 ARG CB C 13 29.875 0.1 . 1 . . . . 155 R CB . 25991 1 188 . 1 1 21 21 ARG CD C 13 43.951 0.1 . 1 . . . . 155 R CD . 25991 1 189 . 1 1 21 21 ARG CG C 13 27.877 0.1 . 1 . . . . 155 R CG . 25991 1 190 . 1 1 21 21 ARG N N 15 131.042 0.1 . 1 . . . . 155 R N . 25991 1 191 . 1 1 22 22 SER H H 1 8.598 0.02 . 1 . . . . 156 S H . 25991 1 192 . 1 1 22 22 SER HA H 1 4.51 0.02 . 1 . . . . 156 S HA . 25991 1 193 . 1 1 22 22 SER C C 13 176.85 0.1 . 1 . . . . 156 S C . 25991 1 194 . 1 1 22 22 SER CA C 13 62.107 0.1 . 1 . . . . 156 S CA . 25991 1 195 . 1 1 22 22 SER CB C 13 69.906 0.1 . 1 . . . . 156 S CB . 25991 1 196 . 1 1 22 22 SER N N 15 119.26 0.1 . 1 . . . . 156 S N . 25991 1 197 . 1 1 23 23 CYS H H 1 9.528 0.02 . 1 . . . . 157 C H . 25991 1 198 . 1 1 23 23 CYS HA H 1 4.082 0.02 . 1 . . . . 157 C HA . 25991 1 199 . 1 1 23 23 CYS HB2 H 1 3.097 0.02 . 1 . . . . 157 C HB2 . 25991 1 200 . 1 1 23 23 CYS HB3 H 1 2.901 0.02 . 1 . . . . 157 C HB3 . 25991 1 201 . 1 1 23 23 CYS C C 13 177.7 0.1 . 1 . . . . 157 C C . 25991 1 202 . 1 1 23 23 CYS CA C 13 66.156 0.1 . 1 . . . . 157 C CA . 25991 1 203 . 1 1 23 23 CYS CB C 13 29.224 0.1 . 1 . . . . 157 C CB . 25991 1 204 . 1 1 23 23 CYS N N 15 129.684 0.1 . 1 . . . . 157 C N . 25991 1 205 . 1 1 24 24 HIS H H 1 8.134 0.02 . 1 . . . . 158 H H . 25991 1 206 . 1 1 24 24 HIS HA H 1 4.586 0.02 . 1 . . . . 158 H HA . 25991 1 207 . 1 1 24 24 HIS HB2 H 1 2.974 0.02 . 1 . . . . 158 H QB . 25991 1 208 . 1 1 24 24 HIS HB3 H 1 2.974 0.02 . 1 . . . . 158 H QB . 25991 1 209 . 1 1 24 24 HIS C C 13 177.74 0.1 . 1 . . . . 158 H C . 25991 1 210 . 1 1 24 24 HIS CA C 13 59.635 0.1 . 1 . . . . 158 H CA . 25991 1 211 . 1 1 24 24 HIS CB C 13 29.974 0.1 . 1 . . . . 158 H CB . 25991 1 212 . 1 1 24 24 HIS N N 15 117.447 0.1 . 1 . . . . 158 H N . 25991 1 213 . 1 1 25 25 TYR H H 1 7.996 0.02 . 1 . . . . 159 Y H . 25991 1 214 . 1 1 25 25 TYR HA H 1 4.124 0.02 . 1 . . . . 159 Y HA . 25991 1 215 . 1 1 25 25 TYR HB2 H 1 3.172 0.02 . 1 . . . . 159 Y QB . 25991 1 216 . 1 1 25 25 TYR HB3 H 1 3.172 0.02 . 1 . . . . 159 Y QB . 25991 1 217 . 1 1 25 25 TYR C C 13 177.531 0.1 . 1 . . . . 159 Y C . 25991 1 218 . 1 1 25 25 TYR CA C 13 60.903 0.1 . 1 . . . . 159 Y CA . 25991 1 219 . 1 1 25 25 TYR CB C 13 37.49 0.1 . 1 . . . . 159 Y CB . 25991 1 220 . 1 1 25 25 TYR N N 15 119.304 0.1 . 1 . . . . 159 Y N . 25991 1 221 . 1 1 26 26 HIS H H 1 8.241 0.02 . 1 . . . . 160 H H . 25991 1 222 . 1 1 26 26 HIS HA H 1 4.383 0.02 . 1 . . . . 160 H HA . 25991 1 223 . 1 1 26 26 HIS HB2 H 1 3.058 0.02 . 1 . . . . 160 H HB2 . 25991 1 224 . 1 1 26 26 HIS HB3 H 1 3.021 0.02 . 1 . . . . 160 H HB3 . 25991 1 225 . 1 1 26 26 HIS C C 13 179.4 0.1 . 1 . . . . 160 H C . 25991 1 226 . 1 1 26 26 HIS CA C 13 59.416 0.1 . 1 . . . . 160 H CA . 25991 1 227 . 1 1 26 26 HIS CB C 13 30.426 0.1 . 1 . . . . 160 H CB . 25991 1 228 . 1 1 26 26 HIS N N 15 120.014 0.1 . 1 . . . . 160 H N . 25991 1 229 . 1 1 27 27 ARG H H 1 8.848 0.02 . 1 . . . . 161 R H . 25991 1 230 . 1 1 27 27 ARG HA H 1 3.994 0.02 . 1 . . . . 161 R HA . 25991 1 231 . 1 1 27 27 ARG HB2 H 1 1.876 0.02 . 1 . . . . 161 R QB . 25991 1 232 . 1 1 27 27 ARG HB3 H 1 1.876 0.02 . 1 . . . . 161 R QB . 25991 1 233 . 1 1 27 27 ARG HD2 H 1 3.172 0.02 . 1 . . . . 161 R QD . 25991 1 234 . 1 1 27 27 ARG HD3 H 1 3.172 0.02 . 1 . . . . 161 R QD . 25991 1 235 . 1 1 27 27 ARG HG2 H 1 1.663 0.02 . 1 . . . . 161 R QG . 25991 1 236 . 1 1 27 27 ARG HG3 H 1 1.663 0.02 . 1 . . . . 161 R QG . 25991 1 237 . 1 1 27 27 ARG C C 13 179.39 0.1 . 1 . . . . 161 R C . 25991 1 238 . 1 1 27 27 ARG CA C 13 59.108 0.1 . 1 . . . . 161 R CA . 25991 1 239 . 1 1 27 27 ARG CB C 13 29.99 0.1 . 1 . . . . 161 R CB . 25991 1 240 . 1 1 27 27 ARG CD C 13 43.2 0.1 . 1 . . . . 161 R CD . 25991 1 241 . 1 1 27 27 ARG CG C 13 26.92 0.1 . 1 . . . . 161 R CG . 25991 1 242 . 1 1 27 27 ARG N N 15 123.128 0.1 . 1 . . . . 161 R N . 25991 1 243 . 1 1 28 28 ARG H H 1 7.975 0.02 . 1 . . . . 162 R H . 25991 1 244 . 1 1 28 28 ARG HA H 1 3.965 0.02 . 1 . . . . 162 R HA . 25991 1 245 . 1 1 28 28 ARG HB2 H 1 1.785 0.02 . 1 . . . . 162 R QB . 25991 1 246 . 1 1 28 28 ARG HB3 H 1 1.785 0.02 . 1 . . . . 162 R QB . 25991 1 247 . 1 1 28 28 ARG HD2 H 1 3.182 0.02 . 1 . . . . 162 R QD . 25991 1 248 . 1 1 28 28 ARG HD3 H 1 3.182 0.02 . 1 . . . . 162 R QD . 25991 1 249 . 1 1 28 28 ARG HG2 H 1 1.682 0.02 . 1 . . . . 162 R QG . 25991 1 250 . 1 1 28 28 ARG HG3 H 1 1.682 0.02 . 1 . . . . 162 R QG . 25991 1 251 . 1 1 28 28 ARG C C 13 178.65 0.1 . 1 . . . . 162 R C . 25991 1 252 . 1 1 28 28 ARG CA C 13 58.097 0.1 . 1 . . . . 162 R CA . 25991 1 253 . 1 1 28 28 ARG CB C 13 29.97 0.1 . 1 . . . . 162 R CB . 25991 1 254 . 1 1 28 28 ARG CD C 13 43.001 0.1 . 1 . . . . 162 R CD . 25991 1 255 . 1 1 28 28 ARG CG C 13 26.821 0.1 . 1 . . . . 162 R CG . 25991 1 256 . 1 1 28 28 ARG N N 15 120.517 0.1 . 1 . . . . 162 R N . 25991 1 257 . 1 1 29 29 ASN H H 1 8.253 0.02 . 1 . . . . 163 N H . 25991 1 258 . 1 1 29 29 ASN HA H 1 4.407 0.02 . 1 . . . . 163 N HA . 25991 1 259 . 1 1 29 29 ASN HB2 H 1 2.671 0.02 . 1 . . . . 163 N HB2 . 25991 1 260 . 1 1 29 29 ASN HB3 H 1 2.572 0.02 . 1 . . . . 163 N HB3 . 25991 1 261 . 1 1 29 29 ASN C C 13 177.02 0.1 . 1 . . . . 163 N C . 25991 1 262 . 1 1 29 29 ASN CA C 13 55.417 0.1 . 1 . . . . 163 N CA . 25991 1 263 . 1 1 29 29 ASN CB C 13 38.67 0.1 . 1 . . . . 163 N CB . 25991 1 264 . 1 1 29 29 ASN N N 15 116.957 0.1 . 1 . . . . 163 N N . 25991 1 265 . 1 1 30 30 THR H H 1 7.96 0.02 . 1 . . . . 164 T H . 25991 1 266 . 1 1 30 30 THR HA H 1 4.302 0.02 . 1 . . . . 164 T HA . 25991 1 267 . 1 1 30 30 THR HB H 1 4.22 0.02 . 1 . . . . 164 T HB . 25991 1 268 . 1 1 30 30 THR HG21 H 1 1.271 0.02 . 1 . . . . 164 T QG2 . 25991 1 269 . 1 1 30 30 THR HG22 H 1 1.271 0.02 . 1 . . . . 164 T QG2 . 25991 1 270 . 1 1 30 30 THR HG23 H 1 1.271 0.02 . 1 . . . . 164 T QG2 . 25991 1 271 . 1 1 30 30 THR C C 13 176.81 0.1 . 1 . . . . 164 T C . 25991 1 272 . 1 1 30 30 THR CA C 13 62.361 0.1 . 1 . . . . 164 T CA . 25991 1 273 . 1 1 30 30 THR CB C 13 71.372 0.1 . 1 . . . . 164 T CB . 25991 1 274 . 1 1 30 30 THR CG2 C 13 21.083 0.1 . 1 . . . . 164 T CG2 . 25991 1 275 . 1 1 30 30 THR N N 15 107.047 0.1 . 1 . . . . 164 T N . 25991 1 276 . 1 1 31 31 GLY H H 1 7.794 0.02 . 1 . . . . 165 G H . 25991 1 277 . 1 1 31 31 GLY HA2 H 1 4.126 0.02 . 1 . . . . 165 G HA2 . 25991 1 278 . 1 1 31 31 GLY HA3 H 1 3.722 0.02 . 1 . . . . 165 G HA3 . 25991 1 279 . 1 1 31 31 GLY C C 13 172.72 0.1 . 1 . . . . 165 G C . 25991 1 280 . 1 1 31 31 GLY CA C 13 45.272 0.1 . 1 . . . . 165 G CA . 25991 1 281 . 1 1 31 31 GLY N N 15 111.396 0.1 . 1 . . . . 165 G N . 25991 1 282 . 1 1 32 32 ASP H H 1 7.921 0.02 . 1 . . . . 166 D H . 25991 1 283 . 1 1 32 32 ASP HA H 1 5.019 0.02 . 1 . . . . 166 D HA . 25991 1 284 . 1 1 32 32 ASP HB2 H 1 3.016 0.02 . 1 . . . . 166 D QB . 25991 1 285 . 1 1 32 32 ASP HB3 H 1 3.016 0.02 . 1 . . . . 166 D QB . 25991 1 286 . 1 1 32 32 ASP CA C 13 49.868 0.1 . 1 . . . . 166 D CA . 25991 1 287 . 1 1 32 32 ASP CB C 13 41.545 0.1 . 1 . . . . 166 D CB . 25991 1 288 . 1 1 32 32 ASP N N 15 122.379 0.1 . 1 . . . . 166 D N . 25991 1 289 . 1 1 33 33 PRO HA H 1 4.252 0.02 . 1 . . . . 167 P HA . 25991 1 290 . 1 1 33 33 PRO HB2 H 1 1.963 0.02 . 1 . . . . 167 P HB2 . 25991 1 291 . 1 1 33 33 PRO HB3 H 1 2.22 0.02 . 1 . . . . 167 P HB3 . 25991 1 292 . 1 1 33 33 PRO HD2 H 1 3.921 0.02 . 1 . . . . 167 P QD . 25991 1 293 . 1 1 33 33 PRO HD3 H 1 3.921 0.02 . 1 . . . . 167 P QD . 25991 1 294 . 1 1 33 33 PRO HG2 H 1 1.919 0.02 . 1 . . . . 167 P QG . 25991 1 295 . 1 1 33 33 PRO HG3 H 1 1.919 0.02 . 1 . . . . 167 P QG . 25991 1 296 . 1 1 33 33 PRO C C 13 176.76 0.1 . 1 . . . . 167 P C . 25991 1 297 . 1 1 33 33 PRO CA C 13 63.165 0.1 . 1 . . . . 167 P CA . 25991 1 298 . 1 1 33 33 PRO CB C 13 32.192 0.1 . 1 . . . . 167 P CB . 25991 1 299 . 1 1 33 33 PRO CD C 13 50.277 0.1 . 1 . . . . 167 P CD . 25991 1 300 . 1 1 33 33 PRO CG C 13 25.81 0.1 . 1 . . . . 167 P CG . 25991 1 301 . 1 1 34 34 ASP H H 1 8.239 0.02 . 1 . . . . 168 D H . 25991 1 302 . 1 1 34 34 ASP HA H 1 4.783 0.02 . 1 . . . . 168 D HA . 25991 1 303 . 1 1 34 34 ASP HB2 H 1 2.537 0.02 . 1 . . . . 168 D HB2 . 25991 1 304 . 1 1 34 34 ASP HB3 H 1 2.753 0.02 . 1 . . . . 168 D HB3 . 25991 1 305 . 1 1 34 34 ASP C C 13 176.919 0.1 . 1 . . . . 168 D C . 25991 1 306 . 1 1 34 34 ASP CA C 13 53.671 0.1 . 1 . . . . 168 D CA . 25991 1 307 . 1 1 34 34 ASP CB C 13 42.173 0.1 . 1 . . . . 168 D CB . 25991 1 308 . 1 1 34 34 ASP N N 15 116.367 0.1 . 1 . . . . 168 D N . 25991 1 309 . 1 1 35 35 ILE H H 1 7.042 0.02 . 1 . . . . 169 I H . 25991 1 310 . 1 1 35 35 ILE HA H 1 4.049 0.02 . 1 . . . . 169 I HA . 25991 1 311 . 1 1 35 35 ILE HB H 1 1.721 0.02 . 1 . . . . 169 I HB . 25991 1 312 . 1 1 35 35 ILE HD11 H 1 0.882 0.02 . 1 . . . . 169 I QD1 . 25991 1 313 . 1 1 35 35 ILE HD12 H 1 0.882 0.02 . 1 . . . . 169 I QD1 . 25991 1 314 . 1 1 35 35 ILE HD13 H 1 0.882 0.02 . 1 . . . . 169 I QD1 . 25991 1 315 . 1 1 35 35 ILE HG12 H 1 1.558 0.02 . 1 . . . . 169 I QG1 . 25991 1 316 . 1 1 35 35 ILE HG13 H 1 1.558 0.02 . 1 . . . . 169 I QG1 . 25991 1 317 . 1 1 35 35 ILE HG21 H 1 0.84 0.02 . 1 . . . . 169 I QG2 . 25991 1 318 . 1 1 35 35 ILE HG22 H 1 0.84 0.02 . 1 . . . . 169 I QG2 . 25991 1 319 . 1 1 35 35 ILE HG23 H 1 0.84 0.02 . 1 . . . . 169 I QG2 . 25991 1 320 . 1 1 35 35 ILE C C 13 173.145 0.1 . 1 . . . . 169 I C . 25991 1 321 . 1 1 35 35 ILE CA C 13 61.675 0.1 . 1 . . . . 169 I CA . 25991 1 322 . 1 1 35 35 ILE CB C 13 38.825 0.1 . 1 . . . . 169 I CB . 25991 1 323 . 1 1 35 35 ILE CD1 C 13 14.047 0.1 . 1 . . . . 169 I CD1 . 25991 1 324 . 1 1 35 35 ILE CG1 C 13 28.71 0.1 . 1 . . . . 169 I CG1 . 25991 1 325 . 1 1 35 35 ILE CG2 C 13 16.953 0.1 . 1 . . . . 169 I CG2 . 25991 1 326 . 1 1 35 35 ILE N N 15 123.134 0.1 . 1 . . . . 169 I N . 25991 1 327 . 1 1 36 36 MET H H 1 7.891 0.02 . 1 . . . . 170 M H . 25991 1 328 . 1 1 36 36 MET HA H 1 5.556 0.02 . 1 . . . . 170 M HA . 25991 1 329 . 1 1 36 36 MET HB2 H 1 1.769 0.02 . 1 . . . . 170 M QB . 25991 1 330 . 1 1 36 36 MET HB3 H 1 1.769 0.02 . 1 . . . . 170 M QB . 25991 1 331 . 1 1 36 36 MET HG2 H 1 2.568 0.02 . 1 . . . . 170 M QG . 25991 1 332 . 1 1 36 36 MET HG3 H 1 2.568 0.02 . 1 . . . . 170 M QG . 25991 1 333 . 1 1 36 36 MET C C 13 176.464 0.1 . 1 . . . . 170 M C . 25991 1 334 . 1 1 36 36 MET CA C 13 53.549 0.1 . 1 . . . . 170 M CA . 25991 1 335 . 1 1 36 36 MET CB C 13 37.054 0.1 . 1 . . . . 170 M CB . 25991 1 336 . 1 1 36 36 MET CG C 13 32.616 0.1 . 1 . . . . 170 M CG . 25991 1 337 . 1 1 36 36 MET N N 15 122.116 0.1 . 1 . . . . 170 M N . 25991 1 338 . 1 1 37 37 CYS H H 1 10.029 0.02 . 1 . . . . 171 C H . 25991 1 339 . 1 1 37 37 CYS HA H 1 4.395 0.02 . 1 . . . . 171 C HA . 25991 1 340 . 1 1 37 37 CYS HB2 H 1 2.681 0.02 . 1 . . . . 171 C QB . 25991 1 341 . 1 1 37 37 CYS HB3 H 1 2.681 0.02 . 1 . . . . 171 C QB . 25991 1 342 . 1 1 37 37 CYS C C 13 174.65 0.1 . 1 . . . . 171 C C . 25991 1 343 . 1 1 37 37 CYS CA C 13 57.368 0.1 . 1 . . . . 171 C CA . 25991 1 344 . 1 1 37 37 CYS CB C 13 30.455 0.1 . 1 . . . . 171 C CB . 25991 1 345 . 1 1 37 37 CYS N N 15 124.955 0.1 . 1 . . . . 171 C N . 25991 1 346 . 1 1 38 38 SER H H 1 8.611 0.02 . 1 . . . . 172 S H . 25991 1 347 . 1 1 38 38 SER HA H 1 3.947 0.02 . 1 . . . . 172 S HA . 25991 1 348 . 1 1 38 38 SER C C 13 176.47 0.1 . 1 . . . . 172 S C . 25991 1 349 . 1 1 38 38 SER CA C 13 62.524 0.1 . 1 . . . . 172 S CA . 25991 1 350 . 1 1 38 38 SER N N 15 114.305 0.1 . 1 . . . . 172 S N . 25991 1 351 . 1 1 39 39 LEU H H 1 7.873 0.02 . 1 . . . . 173 L H . 25991 1 352 . 1 1 39 39 LEU HA H 1 4.27 0.02 . 1 . . . . 173 L HA . 25991 1 353 . 1 1 39 39 LEU HB2 H 1 1.808 0.02 . 1 . . . . 173 L QB . 25991 1 354 . 1 1 39 39 LEU HB3 H 1 1.808 0.02 . 1 . . . . 173 L QB . 25991 1 355 . 1 1 39 39 LEU HD11 H 1 0.903 0.02 . 1 . . . . 173 L QD1 . 25991 1 356 . 1 1 39 39 LEU HD12 H 1 0.903 0.02 . 1 . . . . 173 L QD1 . 25991 1 357 . 1 1 39 39 LEU HD13 H 1 0.903 0.02 . 1 . . . . 173 L QD1 . 25991 1 358 . 1 1 39 39 LEU HD21 H 1 0.942 0.02 . 1 . . . . 173 L QD2 . 25991 1 359 . 1 1 39 39 LEU HD22 H 1 0.942 0.02 . 1 . . . . 173 L QD2 . 25991 1 360 . 1 1 39 39 LEU HD23 H 1 0.942 0.02 . 1 . . . . 173 L QD2 . 25991 1 361 . 1 1 39 39 LEU HG H 1 1.729 0.02 . 1 . . . . 173 L HG . 25991 1 362 . 1 1 39 39 LEU C C 13 179.39 0.1 . 1 . . . . 173 L C . 25991 1 363 . 1 1 39 39 LEU CA C 13 58.348 0.1 . 1 . . . . 173 L CA . 25991 1 364 . 1 1 39 39 LEU CB C 13 41.62 0.1 . 1 . . . . 173 L CB . 25991 1 365 . 1 1 39 39 LEU CD1 C 13 24.412 0.1 . 1 . . . . 173 L CD1 . 25991 1 366 . 1 1 39 39 LEU CD2 C 13 23.976 0.1 . 1 . . . . 173 L CD2 . 25991 1 367 . 1 1 39 39 LEU CG C 13 26.92 0.1 . 1 . . . . 173 L CG . 25991 1 368 . 1 1 39 39 LEU N N 15 123.893 0.1 . 1 . . . . 173 L N . 25991 1 369 . 1 1 40 40 CYS H H 1 8.854 0.02 . 1 . . . . 174 C H . 25991 1 370 . 1 1 40 40 CYS HA H 1 3.853 0.02 . 1 . . . . 174 C HA . 25991 1 371 . 1 1 40 40 CYS HB2 H 1 2.899 0.02 . 1 . . . . 174 C HB2 . 25991 1 372 . 1 1 40 40 CYS HB3 H 1 2.797 0.02 . 1 . . . . 174 C HB3 . 25991 1 373 . 1 1 40 40 CYS C C 13 178.75 0.1 . 1 . . . . 174 C C . 25991 1 374 . 1 1 40 40 CYS CA C 13 65.233 0.1 . 1 . . . . 174 C CA . 25991 1 375 . 1 1 40 40 CYS CB C 13 28.981 0.1 . 1 . . . . 174 C CB . 25991 1 376 . 1 1 40 40 CYS N N 15 123.989 0.1 . 1 . . . . 174 C N . 25991 1 377 . 1 1 41 41 TYR H H 1 8.934 0.02 . 1 . . . . 175 Y H . 25991 1 378 . 1 1 41 41 TYR HA H 1 4.163 0.02 . 1 . . . . 175 Y HA . 25991 1 379 . 1 1 41 41 TYR HB2 H 1 3.051 0.02 . 1 . . . . 175 Y QB . 25991 1 380 . 1 1 41 41 TYR HB3 H 1 3.051 0.02 . 1 . . . . 175 Y QB . 25991 1 381 . 1 1 41 41 TYR C C 13 178.48 0.1 . 1 . . . . 175 Y C . 25991 1 382 . 1 1 41 41 TYR CA C 13 62.002 0.1 . 1 . . . . 175 Y CA . 25991 1 383 . 1 1 41 41 TYR CB C 13 38.049 0.1 . 1 . . . . 175 Y CB . 25991 1 384 . 1 1 41 41 TYR N N 15 121.577 0.1 . 1 . . . . 175 Y N . 25991 1 385 . 1 1 42 42 MET H H 1 8.353 0.02 . 1 . . . . 176 M H . 25991 1 386 . 1 1 42 42 MET HA H 1 4.046 0.02 . 1 . . . . 176 M HA . 25991 1 387 . 1 1 42 42 MET HB2 H 1 2.322 0.02 . 1 . . . . 176 M HB2 . 25991 1 388 . 1 1 42 42 MET HB3 H 1 2.128 0.02 . 1 . . . . 176 M HB3 . 25991 1 389 . 1 1 42 42 MET HG2 H 1 2.859 0.02 . 1 . . . . 176 M QG . 25991 1 390 . 1 1 42 42 MET HG3 H 1 2.859 0.02 . 1 . . . . 176 M QG . 25991 1 391 . 1 1 42 42 MET C C 13 178.93 0.1 . 1 . . . . 176 M C . 25991 1 392 . 1 1 42 42 MET CA C 13 58.63 0.1 . 1 . . . . 176 M CA . 25991 1 393 . 1 1 42 42 MET CB C 13 32.05 0.1 . 1 . . . . 176 M CB . 25991 1 394 . 1 1 42 42 MET CG C 13 31.801 0.1 . 1 . . . . 176 M CG . 25991 1 395 . 1 1 42 42 MET N N 15 119.71 0.1 . 1 . . . . 176 M N . 25991 1 396 . 1 1 43 43 ARG H H 1 8.123 0.02 . 1 . . . . 177 R H . 25991 1 397 . 1 1 43 43 ARG HA H 1 4.147 0.02 . 1 . . . . 177 R HA . 25991 1 398 . 1 1 43 43 ARG HB2 H 1 1.831 0.02 . 1 . . . . 177 R QB . 25991 1 399 . 1 1 43 43 ARG HB3 H 1 1.831 0.02 . 1 . . . . 177 R QB . 25991 1 400 . 1 1 43 43 ARG HD2 H 1 2.972 0.02 . 1 . . . . 177 R QD . 25991 1 401 . 1 1 43 43 ARG HD3 H 1 2.972 0.02 . 1 . . . . 177 R QD . 25991 1 402 . 1 1 43 43 ARG HG2 H 1 1.951 0.02 . 1 . . . . 177 R QG . 25991 1 403 . 1 1 43 43 ARG HG3 H 1 1.951 0.02 . 1 . . . . 177 R QG . 25991 1 404 . 1 1 43 43 ARG C C 13 178.97 0.1 . 1 . . . . 177 R C . 25991 1 405 . 1 1 43 43 ARG CA C 13 58.473 0.1 . 1 . . . . 177 R CA . 25991 1 406 . 1 1 43 43 ARG CB C 13 30.722 0.1 . 1 . . . . 177 R CB . 25991 1 407 . 1 1 43 43 ARG CD C 13 43.739 0.1 . 1 . . . . 177 R CD . 25991 1 408 . 1 1 43 43 ARG CG C 13 27.033 0.1 . 1 . . . . 177 R CG . 25991 1 409 . 1 1 43 43 ARG N N 15 118.8 0.1 . 1 . . . . 177 R N . 25991 1 410 . 1 1 44 44 THR H H 1 8.008 0.02 . 1 . . . . 178 T H . 25991 1 411 . 1 1 44 44 THR HA H 1 4.169 0.02 . 1 . . . . 178 T HA . 25991 1 412 . 1 1 44 44 THR HB H 1 4.292 0.02 . 1 . . . . 178 T HB . 25991 1 413 . 1 1 44 44 THR HG21 H 1 1.266 0.02 . 1 . . . . 178 T QG2 . 25991 1 414 . 1 1 44 44 THR HG22 H 1 1.266 0.02 . 1 . . . . 178 T QG2 . 25991 1 415 . 1 1 44 44 THR HG23 H 1 1.266 0.02 . 1 . . . . 178 T QG2 . 25991 1 416 . 1 1 44 44 THR C C 13 175.77 0.1 . 1 . . . . 178 T C . 25991 1 417 . 1 1 44 44 THR CA C 13 64.441 0.1 . 1 . . . . 178 T CA . 25991 1 418 . 1 1 44 44 THR CB C 13 69.358 0.1 . 1 . . . . 178 T CB . 25991 1 419 . 1 1 44 44 THR CG2 C 13 21.511 0.1 . 1 . . . . 178 T CG2 . 25991 1 420 . 1 1 44 44 THR N N 15 113.562 0.1 . 1 . . . . 178 T N . 25991 1 421 . 1 1 45 45 CYS H H 1 7.818 0.02 . 1 . . . . 179 C H . 25991 1 422 . 1 1 45 45 CYS HA H 1 4.371 0.02 . 1 . . . . 179 C HA . 25991 1 423 . 1 1 45 45 CYS HB2 H 1 2.741 0.02 . 1 . . . . 179 C QB . 25991 1 424 . 1 1 45 45 CYS HB3 H 1 2.741 0.02 . 1 . . . . 179 C QB . 25991 1 425 . 1 1 45 45 CYS C C 13 175.35 0.1 . 1 . . . . 179 C C . 25991 1 426 . 1 1 45 45 CYS CA C 13 59.604 0.1 . 1 . . . . 179 C CA . 25991 1 427 . 1 1 45 45 CYS CB C 13 27.489 0.1 . 1 . . . . 179 C CB . 25991 1 428 . 1 1 45 45 CYS N N 15 118.719 0.1 . 1 . . . . 179 C N . 25991 1 429 . 1 1 46 46 GLY H H 1 7.975 0.02 . 1 . . . . 180 G H . 25991 1 430 . 1 1 46 46 GLY HA2 H 1 3.892 0.02 . 1 . . . . 180 G QA . 25991 1 431 . 1 1 46 46 GLY HA3 H 1 3.892 0.02 . 1 . . . . 180 G QA . 25991 1 432 . 1 1 46 46 GLY C C 13 174.2 0.1 . 1 . . . . 180 G C . 25991 1 433 . 1 1 46 46 GLY CA C 13 45.369 0.1 . 1 . . . . 180 G CA . 25991 1 434 . 1 1 46 46 GLY N N 15 109.271 0.1 . 1 . . . . 180 G N . 25991 1 435 . 1 1 47 47 MET H H 1 7.902 0.02 . 1 . . . . 181 M H . 25991 1 436 . 1 1 47 47 MET HA H 1 4.398 0.02 . 1 . . . . 181 M HA . 25991 1 437 . 1 1 47 47 MET HB2 H 1 1.989 0.02 . 1 . . . . 181 M HB2 . 25991 1 438 . 1 1 47 47 MET HB3 H 1 1.846 0.02 . 1 . . . . 181 M HB3 . 25991 1 439 . 1 1 47 47 MET HG2 H 1 2.474 0.02 . 1 . . . . 181 M HG2 . 25991 1 440 . 1 1 47 47 MET HG3 H 1 2.419 0.02 . 1 . . . . 181 M HG3 . 25991 1 441 . 1 1 47 47 MET C C 13 175.459 0.1 . 1 . . . . 181 M C . 25991 1 442 . 1 1 47 47 MET CA C 13 55.279 0.1 . 1 . . . . 181 M CA . 25991 1 443 . 1 1 47 47 MET CB C 13 32.785 0.1 . 1 . . . . 181 M CB . 25991 1 444 . 1 1 47 47 MET CG C 13 31.617 0.1 . 1 . . . . 181 M CG . 25991 1 445 . 1 1 47 47 MET N N 15 118.946 0.1 . 1 . . . . 181 M N . 25991 1 446 . 1 1 48 48 PHE H H 1 8.116 0.02 . 1 . . . . 182 F H . 25991 1 447 . 1 1 48 48 PHE HA H 1 4.51 0.02 . 1 . . . . 182 F HA . 25991 1 448 . 1 1 48 48 PHE HB2 H 1 2.949 0.02 . 1 . . . . 182 F QB . 25991 1 449 . 1 1 48 48 PHE HB3 H 1 2.949 0.02 . 1 . . . . 182 F QB . 25991 1 450 . 1 1 48 48 PHE C C 13 175.06 0.1 . 1 . . . . 182 F C . 25991 1 451 . 1 1 48 48 PHE CA C 13 57.893 0.1 . 1 . . . . 182 F CA . 25991 1 452 . 1 1 48 48 PHE CB C 13 38.65 0.1 . 1 . . . . 182 F CB . 25991 1 453 . 1 1 48 48 PHE N N 15 121.004 0.1 . 1 . . . . 182 F N . 25991 1 454 . 1 1 49 49 VAL H H 1 7.918 0.02 . 1 . . . . 183 V H . 25991 1 455 . 1 1 49 49 VAL HA H 1 4.021 0.02 . 1 . . . . 183 V HA . 25991 1 456 . 1 1 49 49 VAL HB H 1 1.897 0.02 . 1 . . . . 183 V HB . 25991 1 457 . 1 1 49 49 VAL HG11 H 1 0.822 0.02 . 1 . . . . 183 V QQG . 25991 1 458 . 1 1 49 49 VAL HG12 H 1 0.822 0.02 . 1 . . . . 183 V QQG . 25991 1 459 . 1 1 49 49 VAL HG13 H 1 0.822 0.02 . 1 . . . . 183 V QQG . 25991 1 460 . 1 1 49 49 VAL HG21 H 1 0.822 0.02 . 1 . . . . 183 V QQG . 25991 1 461 . 1 1 49 49 VAL HG22 H 1 0.822 0.02 . 1 . . . . 183 V QQG . 25991 1 462 . 1 1 49 49 VAL HG23 H 1 0.822 0.02 . 1 . . . . 183 V QQG . 25991 1 463 . 1 1 49 49 VAL C C 13 175.06 0.1 . 1 . . . . 183 V C . 25991 1 464 . 1 1 49 49 VAL CA C 13 61.484 0.1 . 1 . . . . 183 V CA . 25991 1 465 . 1 1 49 49 VAL CB C 13 32.803 0.1 . 1 . . . . 183 V CB . 25991 1 466 . 1 1 49 49 VAL CG1 C 13 20.476 0.1 . 1 . . . . 183 V CG1 . 25991 1 467 . 1 1 49 49 VAL CG2 C 13 20.936 0.1 . 1 . . . . 183 V CG2 . 25991 1 468 . 1 1 49 49 VAL N N 15 123.32 0.1 . 1 . . . . 183 V N . 25991 1 469 . 1 1 50 50 TYR H H 1 8.384 0.02 . 1 . . . . 184 Y H . 25991 1 470 . 1 1 50 50 TYR HA H 1 4.504 0.02 . 1 . . . . 184 Y HA . 25991 1 471 . 1 1 50 50 TYR HB2 H 1 2.947 0.02 . 1 . . . . 184 Y QB . 25991 1 472 . 1 1 50 50 TYR HB3 H 1 2.947 0.02 . 1 . . . . 184 Y QB . 25991 1 473 . 1 1 50 50 TYR C C 13 175.23 0.1 . 1 . . . . 184 Y C . 25991 1 474 . 1 1 50 50 TYR CA C 13 57.462 0.1 . 1 . . . . 184 Y CA . 25991 1 475 . 1 1 50 50 TYR CB C 13 38.927 0.1 . 1 . . . . 184 Y CB . 25991 1 476 . 1 1 50 50 TYR N N 15 125.572 0.1 . 1 . . . . 184 Y N . 25991 1 477 . 1 1 51 51 SER H H 1 8.157 0.02 . 1 . . . . 185 S H . 25991 1 478 . 1 1 51 51 SER HA H 1 4.671 0.02 . 1 . . . . 185 S HA . 25991 1 479 . 1 1 51 51 SER HB2 H 1 3.76 0.02 . 1 . . . . 185 S HB2 . 25991 1 480 . 1 1 51 51 SER HB3 H 1 3.666 0.02 . 1 . . . . 185 S HB3 . 25991 1 481 . 1 1 51 51 SER CA C 13 55.199 0.1 . 1 . . . . 185 S CA . 25991 1 482 . 1 1 51 51 SER CB C 13 63.268 0.1 . 1 . . . . 185 S CB . 25991 1 483 . 1 1 51 51 SER N N 15 120.917 0.1 . 1 . . . . 185 S N . 25991 1 484 . 1 1 52 52 PRO HA H 1 4.395 0.02 . 1 . . . . 186 P HA . 25991 1 485 . 1 1 52 52 PRO HB2 H 1 2.259 0.02 . 1 . . . . 186 P QB . 25991 1 486 . 1 1 52 52 PRO HB3 H 1 2.259 0.02 . 1 . . . . 186 P QB . 25991 1 487 . 1 1 52 52 PRO HD2 H 1 3.643 0.02 . 1 . . . . 186 P HD2 . 25991 1 488 . 1 1 52 52 PRO HD3 H 1 3.49 0.02 . 1 . . . . 186 P HD3 . 25991 1 489 . 1 1 52 52 PRO HG2 H 1 1.973 0.02 . 1 . . . . 186 P QG . 25991 1 490 . 1 1 52 52 PRO HG3 H 1 1.973 0.02 . 1 . . . . 186 P QG . 25991 1 491 . 1 1 52 52 PRO C C 13 176.83 0.1 . 1 . . . . 186 P C . 25991 1 492 . 1 1 52 52 PRO CA C 13 62.98 0.1 . 1 . . . . 186 P CA . 25991 1 493 . 1 1 52 52 PRO CB C 13 31.735 0.1 . 1 . . . . 186 P CB . 25991 1 494 . 1 1 52 52 PRO CD C 13 50.366 0.1 . 1 . . . . 186 P CD . 25991 1 495 . 1 1 52 52 PRO CG C 13 26.758 0.1 . 1 . . . . 186 P CG . 25991 1 496 . 1 1 53 53 VAL H H 1 8.239 0.02 . 1 . . . . 187 V H . 25991 1 497 . 1 1 53 53 VAL HA H 1 4.388 0.02 . 1 . . . . 187 V HA . 25991 1 498 . 1 1 53 53 VAL HB H 1 2.084 0.02 . 1 . . . . 187 V HB . 25991 1 499 . 1 1 53 53 VAL HG11 H 1 0.951 0.02 . 1 . . . . 187 V QQG . 25991 1 500 . 1 1 53 53 VAL HG12 H 1 0.951 0.02 . 1 . . . . 187 V QQG . 25991 1 501 . 1 1 53 53 VAL HG13 H 1 0.951 0.02 . 1 . . . . 187 V QQG . 25991 1 502 . 1 1 53 53 VAL HG21 H 1 0.951 0.02 . 1 . . . . 187 V QQG . 25991 1 503 . 1 1 53 53 VAL HG22 H 1 0.951 0.02 . 1 . . . . 187 V QQG . 25991 1 504 . 1 1 53 53 VAL HG23 H 1 0.951 0.02 . 1 . . . . 187 V QQG . 25991 1 505 . 1 1 53 53 VAL C C 13 176.21 0.1 . 1 . . . . 187 V C . 25991 1 506 . 1 1 53 53 VAL CA C 13 61.855 0.1 . 1 . . . . 187 V CA . 25991 1 507 . 1 1 53 53 VAL CB C 13 32.489 0.1 . 1 . . . . 187 V CB . 25991 1 508 . 1 1 53 53 VAL CG2 C 13 20.727 0.1 . 1 . . . . 187 V CG2 . 25991 1 509 . 1 1 53 53 VAL N N 15 120.515 0.1 . 1 . . . . 187 V N . 25991 1 510 . 1 1 54 54 SER H H 1 8.465 0.02 . 1 . . . . 188 S H . 25991 1 511 . 1 1 54 54 SER HA H 1 4.492 0.02 . 1 . . . . 188 S HA . 25991 1 512 . 1 1 54 54 SER HB2 H 1 3.849 0.02 . 1 . . . . 188 S QB . 25991 1 513 . 1 1 54 54 SER HB3 H 1 3.849 0.02 . 1 . . . . 188 S QB . 25991 1 514 . 1 1 54 54 SER C C 13 173.55 0.1 . 1 . . . . 188 S C . 25991 1 515 . 1 1 54 54 SER CA C 13 57.794 0.1 . 1 . . . . 188 S CA . 25991 1 516 . 1 1 54 54 SER CB C 13 63.825 0.1 . 1 . . . . 188 S CB . 25991 1 517 . 1 1 54 54 SER N N 15 120.489 0.1 . 1 . . . . 188 S N . 25991 1 518 . 1 1 55 55 GLU H H 1 8.167 0.02 . 1 . . . . 189 E H . 25991 1 519 . 1 1 55 55 GLU HA H 1 4.157 0.02 . 1 . . . . 189 E HA . 25991 1 520 . 1 1 55 55 GLU HB2 H 1 2.051 0.02 . 1 . . . . 189 E HB2 . 25991 1 521 . 1 1 55 55 GLU HB3 H 1 1.891 0.02 . 1 . . . . 189 E HB3 . 25991 1 522 . 1 1 55 55 GLU HG2 H 1 2.21 0.02 . 1 . . . . 189 E QG . 25991 1 523 . 1 1 55 55 GLU HG3 H 1 2.21 0.02 . 1 . . . . 189 E QG . 25991 1 524 . 1 1 55 55 GLU CA C 13 57.743 0.1 . 1 . . . . 189 E CA . 25991 1 525 . 1 1 55 55 GLU CB C 13 30.608 0.1 . 1 . . . . 189 E CB . 25991 1 526 . 1 1 55 55 GLU CG C 13 36.331 0.1 . 1 . . . . 189 E CG . 25991 1 527 . 1 1 55 55 GLU N N 15 128.525 0.1 . 1 . . . . 189 E N . 25991 1 stop_ save_