data_34111 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34111 _Entry.Title ; Structure of the N-terminal domain of the Escherichia Coli ProQ RNA binding protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-03-01 _Entry.Accession_date 2017-03-01 _Entry.Last_release_date 2017-05-02 _Entry.Original_release_date 2017-05-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 G. Gonzales G. . . . 34111 2 S. Hardwick S. . . . 34111 3 S. Maslen S. . . . 34111 4 M. Skehel M. . . . 34111 5 E. Holmqvist E. . . . 34111 6 J. Vogel J. . . . 34111 7 A. Bateman A. . . . 34111 8 B. Luisi B. . . . 34111 9 R. Broadhurst R. . . . 34111 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID FinO . 34111 ProQ . 34111 'RNA chaperone' . 34111 chaperone . 34111 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34111 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 156 34111 '15N chemical shifts' 54 34111 '1H chemical shifts' 349 34111 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 . . 2017-05-04 . original BMRB . 34111 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5NBB 'BMRB Entry Tracking System' 34111 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34111 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1261/rna.060343.116 _Citation.PubMed_ID 28193673 _Citation.Full_citation . _Citation.Title ; Structure of the Escherichia coli ProQ RNA-binding protein. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev RNA _Citation.Journal_name_full . _Citation.Journal_volume 23 _Citation.Journal_issue . _Citation.Journal_ASTM RNARFU _Citation.Journal_ISSN 1469-9001 _Citation.Journal_CSD 2122 _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 696 _Citation.Page_last 711 _Citation.Year 2017 _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 G. Gonzalez G. M. . . 34111 1 2 S. Hardwick S. W. . . 34111 1 3 S. Maslen S. L. . . 34111 1 4 J. Skehel J. M. . . 34111 1 5 E. Holmqvist E. . . . 34111 1 6 J. Vogel J. . . . 34111 1 7 A. Bateman A. . . . 34111 1 8 B. Luisi B. F. . . 34111 1 9 R. Broadhurst R. W. . . 34111 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34111 _Assembly.ID 1 _Assembly.Name 'RNA chaperone ProQ' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 1 $entity_1 A A yes . . . . . . 34111 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34111 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; VSDISALTVGQALKVKAGQN AMDATVLEITKDGVRVQLNS GMSLIVRAEHLVF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 53 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'UNP residues 180-232' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5601.499 _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 1 180 VAL . 34111 1 2 181 SER . 34111 1 3 182 ASP . 34111 1 4 183 ILE . 34111 1 5 184 SER . 34111 1 6 185 ALA . 34111 1 7 186 LEU . 34111 1 8 187 THR . 34111 1 9 188 VAL . 34111 1 10 189 GLY . 34111 1 11 190 GLN . 34111 1 12 191 ALA . 34111 1 13 192 LEU . 34111 1 14 193 LYS . 34111 1 15 194 VAL . 34111 1 16 195 LYS . 34111 1 17 196 ALA . 34111 1 18 197 GLY . 34111 1 19 198 GLN . 34111 1 20 199 ASN . 34111 1 21 200 ALA . 34111 1 22 201 MET . 34111 1 23 202 ASP . 34111 1 24 203 ALA . 34111 1 25 204 THR . 34111 1 26 205 VAL . 34111 1 27 206 LEU . 34111 1 28 207 GLU . 34111 1 29 208 ILE . 34111 1 30 209 THR . 34111 1 31 210 LYS . 34111 1 32 211 ASP . 34111 1 33 212 GLY . 34111 1 34 213 VAL . 34111 1 35 214 ARG . 34111 1 36 215 VAL . 34111 1 37 216 GLN . 34111 1 38 217 LEU . 34111 1 39 218 ASN . 34111 1 40 219 SER . 34111 1 41 220 GLY . 34111 1 42 221 MET . 34111 1 43 222 SER . 34111 1 44 223 LEU . 34111 1 45 224 ILE . 34111 1 46 225 VAL . 34111 1 47 226 ARG . 34111 1 48 227 ALA . 34111 1 49 228 GLU . 34111 1 50 229 HIS . 34111 1 51 230 LEU . 34111 1 52 231 VAL . 34111 1 53 232 PHE . 34111 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 . VAL 1 1 34111 1 . SER 2 2 34111 1 . ASP 3 3 34111 1 . ILE 4 4 34111 1 . SER 5 5 34111 1 . ALA 6 6 34111 1 . LEU 7 7 34111 1 . THR 8 8 34111 1 . VAL 9 9 34111 1 . GLY 10 10 34111 1 . GLN 11 11 34111 1 . ALA 12 12 34111 1 . LEU 13 13 34111 1 . LYS 14 14 34111 1 . VAL 15 15 34111 1 . LYS 16 16 34111 1 . ALA 17 17 34111 1 . GLY 18 18 34111 1 . GLN 19 19 34111 1 . ASN 20 20 34111 1 . ALA 21 21 34111 1 . MET 22 22 34111 1 . ASP 23 23 34111 1 . ALA 24 24 34111 1 . THR 25 25 34111 1 . VAL 26 26 34111 1 . LEU 27 27 34111 1 . GLU 28 28 34111 1 . ILE 29 29 34111 1 . THR 30 30 34111 1 . LYS 31 31 34111 1 . ASP 32 32 34111 1 . GLY 33 33 34111 1 . VAL 34 34 34111 1 . ARG 35 35 34111 1 . VAL 36 36 34111 1 . GLN 37 37 34111 1 . LEU 38 38 34111 1 . ASN 39 39 34111 1 . SER 40 40 34111 1 . GLY 41 41 34111 1 . MET 42 42 34111 1 . SER 43 43 34111 1 . LEU 44 44 34111 1 . ILE 45 45 34111 1 . VAL 46 46 34111 1 . ARG 47 47 34111 1 . ALA 48 48 34111 1 . GLU 49 49 34111 1 . HIS 50 50 34111 1 . LEU 51 51 34111 1 . VAL 52 52 34111 1 . PHE 53 53 34111 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 34111 _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 $entity_1 . 83333 organism . 'Escherichia coli (strain K12)' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . 'proQ, yebJ, yobE, yoeC, b1831, JW5300' . 34111 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 34111 _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 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . . . plasmid . . ProQ-pET-DUET . . . 34111 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34111 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 20 mM sodium phosphate, 100 mM sodium chloride, 1 mM TCEP, 0.0025 % 3,3,3-trimethylsilylpropionate, 90% H2O/10% D2O. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 'natural abundance' . . 1 $entity_1 . . . . . mM . . . . 34111 1 2 3,3,3-trimethylsilylpropionate 'natural abundance' . . . . . . 0.0025 . . % 0.0005 . . . 34111 1 3 TCEP 'natural abundance' . . . . . . 1 . . mM 0.1 . . . 34111 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 5 . . . 34111 1 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM 1 . . . 34111 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34111 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 20 mM sodium chloride, 100 mM sodium phosphate, 1 mM TCEP, 0.0025 % 3,3,3-trimethylsilylpropionate, 90% H2O/10% D2O. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 'natural abundance' . . 1 $entity_1 . . . . . mM . . . . 34111 2 2 3,3,3-trimethylsilylpropionate 'natural abundance' . . . . . . 0.0025 . . % 0.0005 . . . 34111 2 3 TCEP 'natural abundance' . . . . . . 1 . . mM 0.1 . . . 34111 2 4 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM 1 . . . 34111 2 5 'sodium phosphate' 'natural abundance' . . . . . . 100 . . mM 5 . . . 34111 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 34111 _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' 150 5 mM 34111 1 pH 7.0 0.05 pH 34111 1 pressure 1 0.05 atm 34111 1 temperature 298 0.1 K 34111 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34111 _Software.ID 1 _Software.Name ARIA _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34111 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34111 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34111 _Software.ID 2 _Software.Name Analysis _Software.Version 2.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34111 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 34111 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34111 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34111 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34111 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 34111 _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 NMR_spectrometer_1 Bruker DRX . 500 . . . 34111 1 2 NMR_spectrometer_2 Bruker Avance . 600 . . . 34111 1 3 NMR_spectrometer_3 Bruker Avance . 800 . . . 34111 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 34111 _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 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34111 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34111 1 3 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34111 1 4 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34111 1 5 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34111 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34111 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34111 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34111 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34111 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34111 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34111 _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 TSP 'methyl carbons' . . . . ppm 0 internal direct 0.251449530 . . . . . 34111 1 H 1 TSP 'methyl protons' . . . . ppm 0 internal direct 1.00 . . . . . 34111 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0 internal indirect 0.101329118 . . . . . 34111 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34111 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 34111 1 2 '2D 1H-13C HSQC' . . . 34111 1 3 '3D HNCA' . . . 34111 1 4 '3D HN(CO)CA' . . . 34111 1 5 '3D 1H-15N TOCSY' . . . 34111 1 6 '3D HCCH-TOCSY' . . . 34111 1 7 '3D HBHA(CO)NH' . . . 34111 1 8 '3D CBCA(CO)NH' . . . 34111 1 9 '3D 1H-13C NOESY' . . . 34111 1 10 '3D 1H-15N NOESY' . . . 34111 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 1 1 VAL HA H 1 4.043 0.023 . 1 . . . A 180 VAL HA . 34111 1 2 . 1 1 1 1 VAL HB H 1 2.031 0.005 . 1 . . . A 180 VAL HB . 34111 1 3 . 1 1 1 1 VAL HG11 H 1 0.872 0.004 . 2 . . . A 180 VAL HG11 . 34111 1 4 . 1 1 1 1 VAL HG12 H 1 0.872 0.004 . 2 . . . A 180 VAL HG12 . 34111 1 5 . 1 1 1 1 VAL HG13 H 1 0.872 0.004 . 2 . . . A 180 VAL HG13 . 34111 1 6 . 1 1 1 1 VAL HG21 H 1 0.964 0.001 . 2 . . . A 180 VAL HG21 . 34111 1 7 . 1 1 1 1 VAL HG22 H 1 0.964 0.001 . 2 . . . A 180 VAL HG22 . 34111 1 8 . 1 1 1 1 VAL HG23 H 1 0.964 0.001 . 2 . . . A 180 VAL HG23 . 34111 1 9 . 1 1 1 1 VAL CA C 13 62.351 0.067 . 1 . . . A 180 VAL CA . 34111 1 10 . 1 1 1 1 VAL CB C 13 32.486 0.085 . 1 . . . A 180 VAL CB . 34111 1 11 . 1 1 1 1 VAL CG2 C 13 24.12 0.004 . 1 . . . A 180 VAL CG2 . 34111 1 12 . 1 1 2 2 SER H H 1 8.355 0.01 . 1 . . . A 181 SER H . 34111 1 13 . 1 1 2 2 SER HA H 1 4.358 0.009 . 1 . . . A 181 SER HA . 34111 1 14 . 1 1 2 2 SER HB2 H 1 3.745 0.021 . 1 . . . A 181 SER HB2 . 34111 1 15 . 1 1 2 2 SER CA C 13 58.433 0.019 . 1 . . . A 181 SER CA . 34111 1 16 . 1 1 2 2 SER CB C 13 63.773 0.029 . 1 . . . A 181 SER CB . 34111 1 17 . 1 1 2 2 SER N N 15 119.597 0.054 . 1 . . . A 181 SER N . 34111 1 18 . 1 1 3 3 ASP H H 1 8.107 0.01 . 1 . . . A 182 ASP H . 34111 1 19 . 1 1 3 3 ASP HB2 H 1 2.762 0.013 . 2 . . . A 182 ASP HB2 . 34111 1 20 . 1 1 3 3 ASP HB3 H 1 2.634 0.01 . 2 . . . A 182 ASP HB3 . 34111 1 21 . 1 1 3 3 ASP CA C 13 53.543 0.015 . 1 . . . A 182 ASP CA . 34111 1 22 . 1 1 3 3 ASP CB C 13 41.64 0.082 . 1 . . . A 182 ASP CB . 34111 1 23 . 1 1 3 3 ASP N N 15 121.484 0.068 . 1 . . . A 182 ASP N . 34111 1 24 . 1 1 4 4 ILE H H 1 8.458 0.013 . 1 . . . A 183 ILE H . 34111 1 25 . 1 1 4 4 ILE HA H 1 4.015 0.004 . 1 . . . A 183 ILE HA . 34111 1 26 . 1 1 4 4 ILE HB H 1 1.976 0.009 . 1 . . . A 183 ILE HB . 34111 1 27 . 1 1 4 4 ILE HG12 H 1 1.446 0.011 . 2 . . . A 183 ILE HG12 . 34111 1 28 . 1 1 4 4 ILE HG13 H 1 1.289 0.006 . 2 . . . A 183 ILE HG13 . 34111 1 29 . 1 1 4 4 ILE HG21 H 1 0.939 0.011 . 1 . . . A 183 ILE HG21 . 34111 1 30 . 1 1 4 4 ILE HG22 H 1 0.939 0.011 . 1 . . . A 183 ILE HG22 . 34111 1 31 . 1 1 4 4 ILE HG23 H 1 0.939 0.011 . 1 . . . A 183 ILE HG23 . 34111 1 32 . 1 1 4 4 ILE HD11 H 1 0.854 0.015 . 1 . . . A 183 ILE HD11 . 34111 1 33 . 1 1 4 4 ILE HD12 H 1 0.854 0.015 . 1 . . . A 183 ILE HD12 . 34111 1 34 . 1 1 4 4 ILE HD13 H 1 0.854 0.015 . 1 . . . A 183 ILE HD13 . 34111 1 35 . 1 1 4 4 ILE CA C 13 63.158 0.129 . 1 . . . A 183 ILE CA . 34111 1 36 . 1 1 4 4 ILE CB C 13 37.986 0.058 . 1 . . . A 183 ILE CB . 34111 1 37 . 1 1 4 4 ILE CG1 C 13 26.885 0.043 . 1 . . . A 183 ILE CG1 . 34111 1 38 . 1 1 4 4 ILE CG2 C 13 18.088 0.007 . 1 . . . A 183 ILE CG2 . 34111 1 39 . 1 1 4 4 ILE CD1 C 13 13.711 0.051 . 1 . . . A 183 ILE CD1 . 34111 1 40 . 1 1 4 4 ILE N N 15 121.034 0.072 . 1 . . . A 183 ILE N . 34111 1 41 . 1 1 5 5 SER H H 1 8.336 0.008 . 1 . . . A 184 SER H . 34111 1 42 . 1 1 5 5 SER HA H 1 4.264 0.004 . 1 . . . A 184 SER HA . 34111 1 43 . 1 1 5 5 SER HB2 H 1 3.976 0.015 . 2 . . . A 184 SER HB2 . 34111 1 44 . 1 1 5 5 SER HB3 H 1 3.929 0.002 . 2 . . . A 184 SER HB3 . 34111 1 45 . 1 1 5 5 SER CA C 13 60.353 0.028 . 1 . . . A 184 SER CA . 34111 1 46 . 1 1 5 5 SER CB C 13 63.109 0.039 . 1 . . . A 184 SER CB . 34111 1 47 . 1 1 5 5 SER N N 15 116.618 0.034 . 1 . . . A 184 SER N . 34111 1 48 . 1 1 6 6 ALA H H 1 7.731 0.006 . 1 . . . A 185 ALA H . 34111 1 49 . 1 1 6 6 ALA HA H 1 4.441 0.008 . 1 . . . A 185 ALA HA . 34111 1 50 . 1 1 6 6 ALA HB1 H 1 1.479 0.011 . 1 . . . A 185 ALA HB1 . 34111 1 51 . 1 1 6 6 ALA HB2 H 1 1.479 0.011 . 1 . . . A 185 ALA HB2 . 34111 1 52 . 1 1 6 6 ALA HB3 H 1 1.479 0.011 . 1 . . . A 185 ALA HB3 . 34111 1 53 . 1 1 6 6 ALA CA C 13 51.881 0.112 . 1 . . . A 185 ALA CA . 34111 1 54 . 1 1 6 6 ALA CB C 13 19.521 0.09 . 1 . . . A 185 ALA CB . 34111 1 55 . 1 1 6 6 ALA N N 15 122.998 0.028 . 1 . . . A 185 ALA N . 34111 1 56 . 1 1 7 7 LEU H H 1 7.321 0.011 . 1 . . . A 186 LEU H . 34111 1 57 . 1 1 7 7 LEU HA H 1 4.637 0.007 . 1 . . . A 186 LEU HA . 34111 1 58 . 1 1 7 7 LEU HB2 H 1 1.797 0.009 . 2 . . . A 186 LEU HB2 . 34111 1 59 . 1 1 7 7 LEU HB3 H 1 1.194 0.013 . 2 . . . A 186 LEU HB3 . 34111 1 60 . 1 1 7 7 LEU HG H 1 1.599 0.008 . 1 . . . A 186 LEU HG . 34111 1 61 . 1 1 7 7 LEU HD11 H 1 0.713 0.018 . 2 . . . A 186 LEU HD11 . 34111 1 62 . 1 1 7 7 LEU HD12 H 1 0.713 0.018 . 2 . . . A 186 LEU HD12 . 34111 1 63 . 1 1 7 7 LEU HD13 H 1 0.713 0.018 . 2 . . . A 186 LEU HD13 . 34111 1 64 . 1 1 7 7 LEU HD21 H 1 0.582 0.009 . 2 . . . A 186 LEU HD21 . 34111 1 65 . 1 1 7 7 LEU HD22 H 1 0.582 0.009 . 2 . . . A 186 LEU HD22 . 34111 1 66 . 1 1 7 7 LEU HD23 H 1 0.582 0.009 . 2 . . . A 186 LEU HD23 . 34111 1 67 . 1 1 7 7 LEU CA C 13 54.674 0.032 . 1 . . . A 186 LEU CA . 34111 1 68 . 1 1 7 7 LEU CB C 13 43.609 0.074 . 1 . . . A 186 LEU CB . 34111 1 69 . 1 1 7 7 LEU N N 15 119.106 0.052 . 1 . . . A 186 LEU N . 34111 1 70 . 1 1 8 8 THR H H 1 8.235 0.008 . 1 . . . A 187 THR H . 34111 1 71 . 1 1 8 8 THR HA H 1 4.59 0.014 . 1 . . . A 187 THR HA . 34111 1 72 . 1 1 8 8 THR HB H 1 4.06 0.014 . 1 . . . A 187 THR HB . 34111 1 73 . 1 1 8 8 THR HG21 H 1 1.231 0.006 . 1 . . . A 187 THR HG21 . 34111 1 74 . 1 1 8 8 THR HG22 H 1 1.231 0.006 . 1 . . . A 187 THR HG22 . 34111 1 75 . 1 1 8 8 THR HG23 H 1 1.231 0.006 . 1 . . . A 187 THR HG23 . 34111 1 76 . 1 1 8 8 THR CA C 13 59.773 0.053 . 1 . . . A 187 THR CA . 34111 1 77 . 1 1 8 8 THR CB C 13 71.718 0.1 . 1 . . . A 187 THR CB . 34111 1 78 . 1 1 8 8 THR CG2 C 13 21.42 0.017 . 1 . . . A 187 THR CG2 . 34111 1 79 . 1 1 8 8 THR N N 15 112.873 0.035 . 1 . . . A 187 THR N . 34111 1 80 . 1 1 9 9 VAL H H 1 8.475 0.009 . 1 . . . A 188 VAL H . 34111 1 81 . 1 1 9 9 VAL HA H 1 3.286 0.006 . 1 . . . A 188 VAL HA . 34111 1 82 . 1 1 9 9 VAL HB H 1 1.954 0.01 . 1 . . . A 188 VAL HB . 34111 1 83 . 1 1 9 9 VAL HG11 H 1 0.982 0.013 . 2 . . . A 188 VAL HG11 . 34111 1 84 . 1 1 9 9 VAL HG12 H 1 0.982 0.013 . 2 . . . A 188 VAL HG12 . 34111 1 85 . 1 1 9 9 VAL HG13 H 1 0.982 0.013 . 2 . . . A 188 VAL HG13 . 34111 1 86 . 1 1 9 9 VAL HG21 H 1 1.005 0.008 . 2 . . . A 188 VAL HG21 . 34111 1 87 . 1 1 9 9 VAL HG22 H 1 1.005 0.008 . 2 . . . A 188 VAL HG22 . 34111 1 88 . 1 1 9 9 VAL HG23 H 1 1.005 0.008 . 2 . . . A 188 VAL HG23 . 34111 1 89 . 1 1 9 9 VAL CA C 13 65.726 0.133 . 1 . . . A 188 VAL CA . 34111 1 90 . 1 1 9 9 VAL CB C 13 31.384 0.059 . 1 . . . A 188 VAL CB . 34111 1 91 . 1 1 9 9 VAL CG1 C 13 21.648 0.053 . 2 . . . A 188 VAL CG1 . 34111 1 92 . 1 1 9 9 VAL CG2 C 13 22.425 0.053 . 2 . . . A 188 VAL CG2 . 34111 1 93 . 1 1 9 9 VAL N N 15 123.206 0.06 . 1 . . . A 188 VAL N . 34111 1 94 . 1 1 10 10 GLY H H 1 9.07 0.005 . 1 . . . A 189 GLY H . 34111 1 95 . 1 1 10 10 GLY HA2 H 1 3.616 0.005 . 2 . . . A 189 GLY HA2 . 34111 1 96 . 1 1 10 10 GLY HA3 H 1 4.434 0.004 . 2 . . . A 189 GLY HA3 . 34111 1 97 . 1 1 10 10 GLY CA C 13 44.558 0.036 . 1 . . . A 189 GLY CA . 34111 1 98 . 1 1 10 10 GLY N N 15 116.262 0.043 . 1 . . . A 189 GLY N . 34111 1 99 . 1 1 11 11 GLN H H 1 7.837 0.005 . 1 . . . A 190 GLN H . 34111 1 100 . 1 1 11 11 GLN HA H 1 4.2 0.01 . 1 . . . A 190 GLN HA . 34111 1 101 . 1 1 11 11 GLN HB2 H 1 2.005 0.006 . 2 . . . A 190 GLN HB2 . 34111 1 102 . 1 1 11 11 GLN HB3 H 1 2.136 0.01 . 2 . . . A 190 GLN HB3 . 34111 1 103 . 1 1 11 11 GLN HG2 H 1 2.407 0.002 . 2 . . . A 190 GLN HG2 . 34111 1 104 . 1 1 11 11 GLN HG3 H 1 2.337 0.01 . 2 . . . A 190 GLN HG3 . 34111 1 105 . 1 1 11 11 GLN HE21 H 1 7.521 0.005 . 1 . . . A 190 GLN HE21 . 34111 1 106 . 1 1 11 11 GLN HE22 H 1 6.717 0.007 . 1 . . . A 190 GLN HE22 . 34111 1 107 . 1 1 11 11 GLN CA C 13 56.663 0.054 . 1 . . . A 190 GLN CA . 34111 1 108 . 1 1 11 11 GLN CB C 13 30.125 0.067 . 1 . . . A 190 GLN CB . 34111 1 109 . 1 1 11 11 GLN CG C 13 36.183 0.01 . 1 . . . A 190 GLN CG . 34111 1 110 . 1 1 11 11 GLN N N 15 121.374 0.042 . 1 . . . A 190 GLN N . 34111 1 111 . 1 1 11 11 GLN NE2 N 15 108.339 0.045 . 1 . . . A 190 GLN NE2 . 34111 1 112 . 1 1 12 12 ALA H H 1 8.594 0.011 . 1 . . . A 191 ALA H . 34111 1 113 . 1 1 12 12 ALA HA H 1 5.128 0.007 . 1 . . . A 191 ALA HA . 34111 1 114 . 1 1 12 12 ALA HB1 H 1 1.533 0.016 . 1 . . . A 191 ALA HB1 . 34111 1 115 . 1 1 12 12 ALA HB2 H 1 1.533 0.016 . 1 . . . A 191 ALA HB2 . 34111 1 116 . 1 1 12 12 ALA HB3 H 1 1.533 0.016 . 1 . . . A 191 ALA HB3 . 34111 1 117 . 1 1 12 12 ALA CA C 13 51.385 0.038 . 1 . . . A 191 ALA CA . 34111 1 118 . 1 1 12 12 ALA CB C 13 19.687 0.095 . 1 . . . A 191 ALA CB . 34111 1 119 . 1 1 12 12 ALA N N 15 127.384 0.038 . 1 . . . A 191 ALA N . 34111 1 120 . 1 1 13 13 LEU H H 1 8.906 0.008 . 1 . . . A 192 LEU H . 34111 1 121 . 1 1 13 13 LEU HA H 1 4.864 0.004 . 1 . . . A 192 LEU HA . 34111 1 122 . 1 1 13 13 LEU HB2 H 1 2.123 0.011 . 2 . . . A 192 LEU HB2 . 34111 1 123 . 1 1 13 13 LEU HB3 H 1 1.793 0.012 . 2 . . . A 192 LEU HB3 . 34111 1 124 . 1 1 13 13 LEU HG H 1 1.582 0 . 1 . . . A 192 LEU HG . 34111 1 125 . 1 1 13 13 LEU HD11 H 1 0.611 0.015 . 2 . . . A 192 LEU HD11 . 34111 1 126 . 1 1 13 13 LEU HD12 H 1 0.611 0.015 . 2 . . . A 192 LEU HD12 . 34111 1 127 . 1 1 13 13 LEU HD13 H 1 0.611 0.015 . 2 . . . A 192 LEU HD13 . 34111 1 128 . 1 1 13 13 LEU HD21 H 1 0.69 0.002 . 2 . . . A 192 LEU HD21 . 34111 1 129 . 1 1 13 13 LEU HD22 H 1 0.69 0.002 . 2 . . . A 192 LEU HD22 . 34111 1 130 . 1 1 13 13 LEU HD23 H 1 0.69 0.002 . 2 . . . A 192 LEU HD23 . 34111 1 131 . 1 1 13 13 LEU CA C 13 54.555 0.003 . 1 . . . A 192 LEU CA . 34111 1 132 . 1 1 13 13 LEU CB C 13 41.951 0.08 . 1 . . . A 192 LEU CB . 34111 1 133 . 1 1 13 13 LEU CD2 C 13 26.885 0.05 . 1 . . . A 192 LEU CD2 . 34111 1 134 . 1 1 13 13 LEU N N 15 119.907 0.056 . 1 . . . A 192 LEU N . 34111 1 135 . 1 1 14 14 LYS H H 1 8.447 0.008 . 1 . . . A 193 LYS H . 34111 1 136 . 1 1 14 14 LYS HA H 1 5.407 0.007 . 1 . . . A 193 LYS HA . 34111 1 137 . 1 1 14 14 LYS HB2 H 1 1.637 0.009 . 2 . . . A 193 LYS HB2 . 34111 1 138 . 1 1 14 14 LYS HB3 H 1 1.417 0.001 . 2 . . . A 193 LYS HB3 . 34111 1 139 . 1 1 14 14 LYS HG2 H 1 1.398 0.011 . 2 . . . A 193 LYS HG2 . 34111 1 140 . 1 1 14 14 LYS HG3 H 1 1.46 0 . 2 . . . A 193 LYS HG3 . 34111 1 141 . 1 1 14 14 LYS HD2 H 1 1.789 0 . 1 . . . A 193 LYS HD2 . 34111 1 142 . 1 1 14 14 LYS HE2 H 1 2.915 0.001 . 1 . . . A 193 LYS HE2 . 34111 1 143 . 1 1 14 14 LYS CA C 13 54.548 0.064 . 1 . . . A 193 LYS CA . 34111 1 144 . 1 1 14 14 LYS CB C 13 36.239 0.101 . 1 . . . A 193 LYS CB . 34111 1 145 . 1 1 14 14 LYS CG C 13 25.223 0.038 . 1 . . . A 193 LYS CG . 34111 1 146 . 1 1 14 14 LYS CD C 13 32.929 0.003 . 1 . . . A 193 LYS CD . 34111 1 147 . 1 1 14 14 LYS CE C 13 42.246 0 . 1 . . . A 193 LYS CE . 34111 1 148 . 1 1 14 14 LYS N N 15 118.608 0.055 . 1 . . . A 193 LYS N . 34111 1 149 . 1 1 15 15 VAL H H 1 9.069 0.005 . 1 . . . A 194 VAL H . 34111 1 150 . 1 1 15 15 VAL HA H 1 4.814 0.014 . 1 . . . A 194 VAL HA . 34111 1 151 . 1 1 15 15 VAL HB H 1 1.844 0.015 . 1 . . . A 194 VAL HB . 34111 1 152 . 1 1 15 15 VAL HG11 H 1 0.782 0.01 . 2 . . . A 194 VAL HG11 . 34111 1 153 . 1 1 15 15 VAL HG12 H 1 0.782 0.01 . 2 . . . A 194 VAL HG12 . 34111 1 154 . 1 1 15 15 VAL HG13 H 1 0.782 0.01 . 2 . . . A 194 VAL HG13 . 34111 1 155 . 1 1 15 15 VAL HG21 H 1 0.859 0.01 . 2 . . . A 194 VAL HG21 . 34111 1 156 . 1 1 15 15 VAL HG22 H 1 0.859 0.01 . 2 . . . A 194 VAL HG22 . 34111 1 157 . 1 1 15 15 VAL HG23 H 1 0.859 0.01 . 2 . . . A 194 VAL HG23 . 34111 1 158 . 1 1 15 15 VAL CA C 13 59.614 0.17 . 1 . . . A 194 VAL CA . 34111 1 159 . 1 1 15 15 VAL CB C 13 34.695 0.076 . 1 . . . A 194 VAL CB . 34111 1 160 . 1 1 15 15 VAL CG2 C 13 21.469 0.062 . 1 . . . A 194 VAL CG2 . 34111 1 161 . 1 1 15 15 VAL N N 15 118.365 0.033 . 1 . . . A 194 VAL N . 34111 1 162 . 1 1 16 16 LYS H H 1 9.127 0.004 . 1 . . . A 195 LYS H . 34111 1 163 . 1 1 16 16 LYS HA H 1 4.461 0.015 . 1 . . . A 195 LYS HA . 34111 1 164 . 1 1 16 16 LYS HB2 H 1 1.548 0.005 . 2 . . . A 195 LYS HB2 . 34111 1 165 . 1 1 16 16 LYS HB3 H 1 1.84 0.006 . 2 . . . A 195 LYS HB3 . 34111 1 166 . 1 1 16 16 LYS HG2 H 1 1.296 0.012 . 1 . . . A 195 LYS HG2 . 34111 1 167 . 1 1 16 16 LYS HD2 H 1 1.615 0.003 . 1 . . . A 195 LYS HD2 . 34111 1 168 . 1 1 16 16 LYS HE2 H 1 2.923 0 . 2 . . . A 195 LYS HE2 . 34111 1 169 . 1 1 16 16 LYS HE3 H 1 2.932 0.004 . 2 . . . A 195 LYS HE3 . 34111 1 170 . 1 1 16 16 LYS CA C 13 56.275 0.078 . 1 . . . A 195 LYS CA . 34111 1 171 . 1 1 16 16 LYS CB C 13 33.116 0.069 . 1 . . . A 195 LYS CB . 34111 1 172 . 1 1 16 16 LYS CG C 13 24.956 0 . 1 . . . A 195 LYS CG . 34111 1 173 . 1 1 16 16 LYS CD C 13 29.32 0 . 1 . . . A 195 LYS CD . 34111 1 174 . 1 1 16 16 LYS CE C 13 41.956 0.021 . 1 . . . A 195 LYS CE . 34111 1 175 . 1 1 16 16 LYS N N 15 126.989 0.043 . 1 . . . A 195 LYS N . 34111 1 176 . 1 1 17 17 ALA H H 1 8.278 0.005 . 1 . . . A 196 ALA H . 34111 1 177 . 1 1 17 17 ALA HA H 1 4.464 0.011 . 1 . . . A 196 ALA HA . 34111 1 178 . 1 1 17 17 ALA HB1 H 1 1.179 0.015 . 1 . . . A 196 ALA HB1 . 34111 1 179 . 1 1 17 17 ALA HB2 H 1 1.179 0.015 . 1 . . . A 196 ALA HB2 . 34111 1 180 . 1 1 17 17 ALA HB3 H 1 1.179 0.015 . 1 . . . A 196 ALA HB3 . 34111 1 181 . 1 1 17 17 ALA CA C 13 51.075 0.018 . 1 . . . A 196 ALA CA . 34111 1 182 . 1 1 17 17 ALA CB C 13 19.165 0.079 . 1 . . . A 196 ALA CB . 34111 1 183 . 1 1 17 17 ALA N N 15 129.032 0.052 . 1 . . . A 196 ALA N . 34111 1 184 . 1 1 18 18 GLY H H 1 8.55 0.007 . 1 . . . A 197 GLY H . 34111 1 185 . 1 1 18 18 GLY HA2 H 1 4.037 0.005 . 2 . . . A 197 GLY HA2 . 34111 1 186 . 1 1 18 18 GLY HA3 H 1 3.725 0.005 . 2 . . . A 197 GLY HA3 . 34111 1 187 . 1 1 18 18 GLY CA C 13 46.342 0.053 . 1 . . . A 197 GLY CA . 34111 1 188 . 1 1 18 18 GLY N N 15 112.513 0.035 . 1 . . . A 197 GLY N . 34111 1 189 . 1 1 19 19 GLN HA H 1 4.3 0.009 . 1 . . . A 198 GLN HA . 34111 1 190 . 1 1 19 19 GLN HB2 H 1 1.977 0.013 . 1 . . . A 198 GLN HB2 . 34111 1 191 . 1 1 19 19 GLN HG2 H 1 2.248 0.021 . 1 . . . A 198 GLN HG2 . 34111 1 192 . 1 1 19 19 GLN CA C 13 56.339 0.079 . 1 . . . A 198 GLN CA . 34111 1 193 . 1 1 19 19 GLN CB C 13 29.256 0.015 . 1 . . . A 198 GLN CB . 34111 1 194 . 1 1 19 19 GLN CG C 13 35.69 0 . 1 . . . A 198 GLN CG . 34111 1 195 . 1 1 20 20 ASN H H 1 7.938 0.006 . 1 . . . A 199 ASN H . 34111 1 196 . 1 1 20 20 ASN HA H 1 4.938 0.005 . 1 . . . A 199 ASN HA . 34111 1 197 . 1 1 20 20 ASN HB2 H 1 2.786 0.019 . 2 . . . A 199 ASN HB2 . 34111 1 198 . 1 1 20 20 ASN HB3 H 1 2.658 0 . 2 . . . A 199 ASN HB3 . 34111 1 199 . 1 1 20 20 ASN HD21 H 1 7.664 0.002 . 1 . . . A 199 ASN HD21 . 34111 1 200 . 1 1 20 20 ASN HD22 H 1 7.017 0.002 . 1 . . . A 199 ASN HD22 . 34111 1 201 . 1 1 20 20 ASN CA C 13 52.394 0.057 . 1 . . . A 199 ASN CA . 34111 1 202 . 1 1 20 20 ASN CB C 13 41.093 0.038 . 1 . . . A 199 ASN CB . 34111 1 203 . 1 1 20 20 ASN N N 15 116.757 0.065 . 1 . . . A 199 ASN N . 34111 1 204 . 1 1 20 20 ASN ND2 N 15 113.508 0.046 . 1 . . . A 199 ASN ND2 . 34111 1 205 . 1 1 21 21 ALA H H 1 8.571 0.01 . 1 . . . A 200 ALA H . 34111 1 206 . 1 1 21 21 ALA HA H 1 4.99 0.009 . 1 . . . A 200 ALA HA . 34111 1 207 . 1 1 21 21 ALA HB1 H 1 1.192 0.011 . 1 . . . A 200 ALA HB1 . 34111 1 208 . 1 1 21 21 ALA HB2 H 1 1.192 0.011 . 1 . . . A 200 ALA HB2 . 34111 1 209 . 1 1 21 21 ALA HB3 H 1 1.192 0.011 . 1 . . . A 200 ALA HB3 . 34111 1 210 . 1 1 21 21 ALA CA C 13 51.217 0.056 . 1 . . . A 200 ALA CA . 34111 1 211 . 1 1 21 21 ALA CB C 13 20.132 0.088 . 1 . . . A 200 ALA CB . 34111 1 212 . 1 1 21 21 ALA N N 15 123.963 0.034 . 1 . . . A 200 ALA N . 34111 1 213 . 1 1 22 22 MET H H 1 9.099 0.007 . 1 . . . A 201 MET H . 34111 1 214 . 1 1 22 22 MET HB2 H 1 2.165 0.006 . 2 . . . A 201 MET HB2 . 34111 1 215 . 1 1 22 22 MET HB3 H 1 1.942 0.012 . 2 . . . A 201 MET HB3 . 34111 1 216 . 1 1 22 22 MET HG2 H 1 2.582 0.011 . 2 . . . A 201 MET HG2 . 34111 1 217 . 1 1 22 22 MET HG3 H 1 2.536 0.002 . 2 . . . A 201 MET HG3 . 34111 1 218 . 1 1 22 22 MET HE1 H 1 2.085 0.002 . 1 . . . A 201 MET HE1 . 34111 1 219 . 1 1 22 22 MET HE2 H 1 2.085 0.002 . 1 . . . A 201 MET HE2 . 34111 1 220 . 1 1 22 22 MET HE3 H 1 2.085 0.002 . 1 . . . A 201 MET HE3 . 34111 1 221 . 1 1 22 22 MET CA C 13 54.145 0 . 1 . . . A 201 MET CA . 34111 1 222 . 1 1 22 22 MET CB C 13 35.592 0.079 . 1 . . . A 201 MET CB . 34111 1 223 . 1 1 22 22 MET CG C 13 31.876 0.096 . 1 . . . A 201 MET CG . 34111 1 224 . 1 1 22 22 MET CE C 13 17.08 0.013 . 1 . . . A 201 MET CE . 34111 1 225 . 1 1 22 22 MET N N 15 121.084 0.061 . 1 . . . A 201 MET N . 34111 1 226 . 1 1 23 23 ASP H H 1 8.514 0.005 . 1 . . . A 202 ASP H . 34111 1 227 . 1 1 23 23 ASP HA H 1 4.807 0.006 . 1 . . . A 202 ASP HA . 34111 1 228 . 1 1 23 23 ASP HB2 H 1 2.541 0.016 . 2 . . . A 202 ASP HB2 . 34111 1 229 . 1 1 23 23 ASP HB3 H 1 2.831 0.017 . 2 . . . A 202 ASP HB3 . 34111 1 230 . 1 1 23 23 ASP CA C 13 56.205 0.072 . 1 . . . A 202 ASP CA . 34111 1 231 . 1 1 23 23 ASP CB C 13 41.992 0.074 . 1 . . . A 202 ASP CB . 34111 1 232 . 1 1 23 23 ASP N N 15 122.332 0.079 . 1 . . . A 202 ASP N . 34111 1 233 . 1 1 24 24 ALA H H 1 8.754 0.009 . 1 . . . A 203 ALA H . 34111 1 234 . 1 1 24 24 ALA HA H 1 5.135 0.004 . 1 . . . A 203 ALA HA . 34111 1 235 . 1 1 24 24 ALA HB1 H 1 1.133 0.014 . 1 . . . A 203 ALA HB1 . 34111 1 236 . 1 1 24 24 ALA HB2 H 1 1.133 0.014 . 1 . . . A 203 ALA HB2 . 34111 1 237 . 1 1 24 24 ALA HB3 H 1 1.133 0.014 . 1 . . . A 203 ALA HB3 . 34111 1 238 . 1 1 24 24 ALA CA C 13 51.203 0.088 . 1 . . . A 203 ALA CA . 34111 1 239 . 1 1 24 24 ALA CB C 13 23.975 0.086 . 1 . . . A 203 ALA CB . 34111 1 240 . 1 1 24 24 ALA N N 15 121.793 0.038 . 1 . . . A 203 ALA N . 34111 1 241 . 1 1 25 25 THR H H 1 8.206 0.005 . 1 . . . A 204 THR H . 34111 1 242 . 1 1 25 25 THR HA H 1 5.274 0.008 . 1 . . . A 204 THR HA . 34111 1 243 . 1 1 25 25 THR HB H 1 3.761 0.004 . 1 . . . A 204 THR HB . 34111 1 244 . 1 1 25 25 THR HG21 H 1 1.1 0.012 . 1 . . . A 204 THR HG21 . 34111 1 245 . 1 1 25 25 THR HG22 H 1 1.1 0.012 . 1 . . . A 204 THR HG22 . 34111 1 246 . 1 1 25 25 THR HG23 H 1 1.1 0.012 . 1 . . . A 204 THR HG23 . 34111 1 247 . 1 1 25 25 THR CA C 13 60.362 0.051 . 1 . . . A 204 THR CA . 34111 1 248 . 1 1 25 25 THR CB C 13 71.792 0.065 . 1 . . . A 204 THR CB . 34111 1 249 . 1 1 25 25 THR CG2 C 13 21.493 0.023 . 1 . . . A 204 THR CG2 . 34111 1 250 . 1 1 25 25 THR N N 15 112.04 0.05 . 1 . . . A 204 THR N . 34111 1 251 . 1 1 26 26 VAL H H 1 8.656 0.005 . 1 . . . A 205 VAL H . 34111 1 252 . 1 1 26 26 VAL HA H 1 3.717 0.009 . 1 . . . A 205 VAL HA . 34111 1 253 . 1 1 26 26 VAL HB H 1 2.371 0.011 . 1 . . . A 205 VAL HB . 34111 1 254 . 1 1 26 26 VAL HG11 H 1 0.707 0.006 . 2 . . . A 205 VAL HG11 . 34111 1 255 . 1 1 26 26 VAL HG12 H 1 0.707 0.006 . 2 . . . A 205 VAL HG12 . 34111 1 256 . 1 1 26 26 VAL HG13 H 1 0.707 0.006 . 2 . . . A 205 VAL HG13 . 34111 1 257 . 1 1 26 26 VAL HG21 H 1 0.972 0.007 . 2 . . . A 205 VAL HG21 . 34111 1 258 . 1 1 26 26 VAL HG22 H 1 0.972 0.007 . 2 . . . A 205 VAL HG22 . 34111 1 259 . 1 1 26 26 VAL HG23 H 1 0.972 0.007 . 2 . . . A 205 VAL HG23 . 34111 1 260 . 1 1 26 26 VAL CA C 13 65.084 0.159 . 1 . . . A 205 VAL CA . 34111 1 261 . 1 1 26 26 VAL CB C 13 32.362 0.098 . 1 . . . A 205 VAL CB . 34111 1 262 . 1 1 26 26 VAL CG1 C 13 21.882 0.026 . 2 . . . A 205 VAL CG1 . 34111 1 263 . 1 1 26 26 VAL CG2 C 13 23.327 0.105 . 2 . . . A 205 VAL CG2 . 34111 1 264 . 1 1 26 26 VAL N N 15 123.487 0.027 . 1 . . . A 205 VAL N . 34111 1 265 . 1 1 27 27 LEU H H 1 9.56 0.01 . 1 . . . A 206 LEU H . 34111 1 266 . 1 1 27 27 LEU HA H 1 4.62 0.004 . 1 . . . A 206 LEU HA . 34111 1 267 . 1 1 27 27 LEU HB2 H 1 1.507 0.013 . 2 . . . A 206 LEU HB2 . 34111 1 268 . 1 1 27 27 LEU HB3 H 1 1.468 0.001 . 2 . . . A 206 LEU HB3 . 34111 1 269 . 1 1 27 27 LEU HG H 1 1.587 0.003 . 1 . . . A 206 LEU HG . 34111 1 270 . 1 1 27 27 LEU HD11 H 1 0.715 0.009 . 2 . . . A 206 LEU HD11 . 34111 1 271 . 1 1 27 27 LEU HD12 H 1 0.715 0.009 . 2 . . . A 206 LEU HD12 . 34111 1 272 . 1 1 27 27 LEU HD13 H 1 0.715 0.009 . 2 . . . A 206 LEU HD13 . 34111 1 273 . 1 1 27 27 LEU HD21 H 1 0.819 0.015 . 2 . . . A 206 LEU HD21 . 34111 1 274 . 1 1 27 27 LEU HD22 H 1 0.819 0.015 . 2 . . . A 206 LEU HD22 . 34111 1 275 . 1 1 27 27 LEU HD23 H 1 0.819 0.015 . 2 . . . A 206 LEU HD23 . 34111 1 276 . 1 1 27 27 LEU CA C 13 55.822 0.033 . 1 . . . A 206 LEU CA . 34111 1 277 . 1 1 27 27 LEU CB C 13 43.996 0.048 . 1 . . . A 206 LEU CB . 34111 1 278 . 1 1 27 27 LEU CD2 C 13 21.885 0.038 . 1 . . . A 206 LEU CD2 . 34111 1 279 . 1 1 27 27 LEU N N 15 128.644 0.03 . 1 . . . A 206 LEU N . 34111 1 280 . 1 1 28 28 GLU H H 1 7.785 0.008 . 1 . . . A 207 GLU H . 34111 1 281 . 1 1 28 28 GLU HA H 1 4.414 0.006 . 1 . . . A 207 GLU HA . 34111 1 282 . 1 1 28 28 GLU HB2 H 1 1.977 0.011 . 2 . . . A 207 GLU HB2 . 34111 1 283 . 1 1 28 28 GLU HB3 H 1 2.124 0.004 . 2 . . . A 207 GLU HB3 . 34111 1 284 . 1 1 28 28 GLU CA C 13 55.794 0.073 . 1 . . . A 207 GLU CA . 34111 1 285 . 1 1 28 28 GLU CB C 13 33.684 0.166 . 1 . . . A 207 GLU CB . 34111 1 286 . 1 1 28 28 GLU N N 15 115.35 0.057 . 1 . . . A 207 GLU N . 34111 1 287 . 1 1 29 29 ILE H H 1 9.092 0.007 . 1 . . . A 208 ILE H . 34111 1 288 . 1 1 29 29 ILE HA H 1 4.357 0.006 . 1 . . . A 208 ILE HA . 34111 1 289 . 1 1 29 29 ILE HB H 1 1.801 0.008 . 1 . . . A 208 ILE HB . 34111 1 290 . 1 1 29 29 ILE HG12 H 1 1.095 0.013 . 2 . . . A 208 ILE HG12 . 34111 1 291 . 1 1 29 29 ILE HG13 H 1 1.358 0.01 . 2 . . . A 208 ILE HG13 . 34111 1 292 . 1 1 29 29 ILE HG21 H 1 0.899 0.01 . 1 . . . A 208 ILE HG21 . 34111 1 293 . 1 1 29 29 ILE HG22 H 1 0.899 0.01 . 1 . . . A 208 ILE HG22 . 34111 1 294 . 1 1 29 29 ILE HG23 H 1 0.899 0.01 . 1 . . . A 208 ILE HG23 . 34111 1 295 . 1 1 29 29 ILE HD11 H 1 0.763 0.013 . 1 . . . A 208 ILE HD11 . 34111 1 296 . 1 1 29 29 ILE HD12 H 1 0.763 0.013 . 1 . . . A 208 ILE HD12 . 34111 1 297 . 1 1 29 29 ILE HD13 H 1 0.763 0.013 . 1 . . . A 208 ILE HD13 . 34111 1 298 . 1 1 29 29 ILE CA C 13 61.988 0.012 . 1 . . . A 208 ILE CA . 34111 1 299 . 1 1 29 29 ILE CB C 13 38.684 0.062 . 1 . . . A 208 ILE CB . 34111 1 300 . 1 1 29 29 ILE CG1 C 13 28.428 0.041 . 1 . . . A 208 ILE CG1 . 34111 1 301 . 1 1 29 29 ILE CG2 C 13 18.609 0.038 . 1 . . . A 208 ILE CG2 . 34111 1 302 . 1 1 29 29 ILE CD1 C 13 14.192 0.037 . 1 . . . A 208 ILE CD1 . 34111 1 303 . 1 1 29 29 ILE N N 15 126.464 0.059 . 1 . . . A 208 ILE N . 34111 1 304 . 1 1 30 30 THR H H 1 8.282 0.005 . 1 . . . A 209 THR H . 34111 1 305 . 1 1 30 30 THR HA H 1 4.999 0.005 . 1 . . . A 209 THR HA . 34111 1 306 . 1 1 30 30 THR HB H 1 4.579 0.009 . 1 . . . A 209 THR HB . 34111 1 307 . 1 1 30 30 THR HG21 H 1 1.095 0.009 . 1 . . . A 209 THR HG21 . 34111 1 308 . 1 1 30 30 THR HG22 H 1 1.095 0.009 . 1 . . . A 209 THR HG22 . 34111 1 309 . 1 1 30 30 THR HG23 H 1 1.095 0.009 . 1 . . . A 209 THR HG23 . 34111 1 310 . 1 1 30 30 THR CA C 13 59.516 0.062 . 1 . . . A 209 THR CA . 34111 1 311 . 1 1 30 30 THR CB C 13 71.846 0.036 . 1 . . . A 209 THR CB . 34111 1 312 . 1 1 30 30 THR CG2 C 13 21.108 0.046 . 1 . . . A 209 THR CG2 . 34111 1 313 . 1 1 30 30 THR N N 15 118.111 0.046 . 1 . . . A 209 THR N . 34111 1 314 . 1 1 31 31 LYS HA H 1 4.158 0.005 . 1 . . . A 210 LYS HA . 34111 1 315 . 1 1 31 31 LYS HB2 H 1 1.861 0.016 . 2 . . . A 210 LYS HB2 . 34111 1 316 . 1 1 31 31 LYS HB3 H 1 1.91 0.001 . 2 . . . A 210 LYS HB3 . 34111 1 317 . 1 1 31 31 LYS HG2 H 1 1.463 0.002 . 1 . . . A 210 LYS HG2 . 34111 1 318 . 1 1 31 31 LYS HD2 H 1 1.707 0.001 . 1 . . . A 210 LYS HD2 . 34111 1 319 . 1 1 31 31 LYS HE2 H 1 3.03 0.005 . 1 . . . A 210 LYS HE2 . 34111 1 320 . 1 1 31 31 LYS CA C 13 58.432 0.065 . 1 . . . A 210 LYS CA . 34111 1 321 . 1 1 31 31 LYS CB C 13 31.953 0.061 . 1 . . . A 210 LYS CB . 34111 1 322 . 1 1 31 31 LYS CG C 13 24.277 0.008 . 1 . . . A 210 LYS CG . 34111 1 323 . 1 1 31 31 LYS CD C 13 29.077 0.002 . 1 . . . A 210 LYS CD . 34111 1 324 . 1 1 31 31 LYS CE C 13 42.047 0.017 . 1 . . . A 210 LYS CE . 34111 1 325 . 1 1 32 32 ASP H H 1 7.958 0.007 . 1 . . . A 211 ASP H . 34111 1 326 . 1 1 32 32 ASP HA H 1 4.793 0.006 . 1 . . . A 211 ASP HA . 34111 1 327 . 1 1 32 32 ASP HB2 H 1 2.366 0.005 . 2 . . . A 211 ASP HB2 . 34111 1 328 . 1 1 32 32 ASP HB3 H 1 2.769 0.005 . 2 . . . A 211 ASP HB3 . 34111 1 329 . 1 1 32 32 ASP CA C 13 54.128 0.022 . 1 . . . A 211 ASP CA . 34111 1 330 . 1 1 32 32 ASP CB C 13 42.088 0.045 . 1 . . . A 211 ASP CB . 34111 1 331 . 1 1 32 32 ASP N N 15 115.757 0.044 . 1 . . . A 211 ASP N . 34111 1 332 . 1 1 33 33 GLY H H 1 7.428 0.007 . 1 . . . A 212 GLY H . 34111 1 333 . 1 1 33 33 GLY HA2 H 1 4.245 0.006 . 2 . . . A 212 GLY HA2 . 34111 1 334 . 1 1 33 33 GLY HA3 H 1 3.878 0.01 . 2 . . . A 212 GLY HA3 . 34111 1 335 . 1 1 33 33 GLY CA C 13 44.509 0.051 . 1 . . . A 212 GLY CA . 34111 1 336 . 1 1 33 33 GLY N N 15 107.11 0.054 . 1 . . . A 212 GLY N . 34111 1 337 . 1 1 34 34 VAL H H 1 9.108 0.013 . 1 . . . A 213 VAL H . 34111 1 338 . 1 1 34 34 VAL HA H 1 4.507 0.007 . 1 . . . A 213 VAL HA . 34111 1 339 . 1 1 34 34 VAL HB H 1 1.986 0.013 . 1 . . . A 213 VAL HB . 34111 1 340 . 1 1 34 34 VAL HG11 H 1 0.851 0.005 . 2 . . . A 213 VAL HG11 . 34111 1 341 . 1 1 34 34 VAL HG12 H 1 0.851 0.005 . 2 . . . A 213 VAL HG12 . 34111 1 342 . 1 1 34 34 VAL HG13 H 1 0.851 0.005 . 2 . . . A 213 VAL HG13 . 34111 1 343 . 1 1 34 34 VAL HG21 H 1 0.89 0.006 . 2 . . . A 213 VAL HG21 . 34111 1 344 . 1 1 34 34 VAL HG22 H 1 0.89 0.006 . 2 . . . A 213 VAL HG22 . 34111 1 345 . 1 1 34 34 VAL HG23 H 1 0.89 0.006 . 2 . . . A 213 VAL HG23 . 34111 1 346 . 1 1 34 34 VAL CA C 13 61.264 0.017 . 1 . . . A 213 VAL CA . 34111 1 347 . 1 1 34 34 VAL CB C 13 34.118 0.004 . 1 . . . A 213 VAL CB . 34111 1 348 . 1 1 34 34 VAL CG1 C 13 22.418 0.047 . 2 . . . A 213 VAL CG1 . 34111 1 349 . 1 1 34 34 VAL CG2 C 13 21.863 0.152 . 2 . . . A 213 VAL CG2 . 34111 1 350 . 1 1 34 34 VAL N N 15 121.339 0.075 . 1 . . . A 213 VAL N . 34111 1 351 . 1 1 35 35 ARG H H 1 9.338 0.01 . 1 . . . A 214 ARG H . 34111 1 352 . 1 1 35 35 ARG HA H 1 5.146 0.007 . 1 . . . A 214 ARG HA . 34111 1 353 . 1 1 35 35 ARG HB2 H 1 1.594 0.016 . 2 . . . A 214 ARG HB2 . 34111 1 354 . 1 1 35 35 ARG HB3 H 1 1.946 0.008 . 2 . . . A 214 ARG HB3 . 34111 1 355 . 1 1 35 35 ARG HG2 H 1 1.543 0 . 1 . . . A 214 ARG HG2 . 34111 1 356 . 1 1 35 35 ARG CA C 13 55.274 0.079 . 1 . . . A 214 ARG CA . 34111 1 357 . 1 1 35 35 ARG CB C 13 32.015 0.09 . 1 . . . A 214 ARG CB . 34111 1 358 . 1 1 35 35 ARG CG C 13 28.349 0 . 1 . . . A 214 ARG CG . 34111 1 359 . 1 1 35 35 ARG N N 15 128.351 0.052 . 1 . . . A 214 ARG N . 34111 1 360 . 1 1 36 36 VAL H H 1 9.436 0.006 . 1 . . . A 215 VAL H . 34111 1 361 . 1 1 36 36 VAL HA H 1 5.35 0.007 . 1 . . . A 215 VAL HA . 34111 1 362 . 1 1 36 36 VAL HB H 1 1.917 0.01 . 1 . . . A 215 VAL HB . 34111 1 363 . 1 1 36 36 VAL HG11 H 1 0.736 0.003 . 2 . . . A 215 VAL HG11 . 34111 1 364 . 1 1 36 36 VAL HG12 H 1 0.736 0.003 . 2 . . . A 215 VAL HG12 . 34111 1 365 . 1 1 36 36 VAL HG13 H 1 0.736 0.003 . 2 . . . A 215 VAL HG13 . 34111 1 366 . 1 1 36 36 VAL HG21 H 1 0.769 0.014 . 2 . . . A 215 VAL HG21 . 34111 1 367 . 1 1 36 36 VAL HG22 H 1 0.769 0.014 . 2 . . . A 215 VAL HG22 . 34111 1 368 . 1 1 36 36 VAL HG23 H 1 0.769 0.014 . 2 . . . A 215 VAL HG23 . 34111 1 369 . 1 1 36 36 VAL CA C 13 58.042 0.029 . 1 . . . A 215 VAL CA . 34111 1 370 . 1 1 36 36 VAL CB C 13 34.909 0.075 . 1 . . . A 215 VAL CB . 34111 1 371 . 1 1 36 36 VAL CG1 C 13 21.733 0.024 . 2 . . . A 215 VAL CG1 . 34111 1 372 . 1 1 36 36 VAL CG2 C 13 18.413 0.028 . 2 . . . A 215 VAL CG2 . 34111 1 373 . 1 1 36 36 VAL N N 15 120.729 0.04 . 1 . . . A 215 VAL N . 34111 1 374 . 1 1 37 37 GLN H H 1 9.123 0.005 . 1 . . . A 216 GLN H . 34111 1 375 . 1 1 37 37 GLN HA H 1 4.962 0.01 . 1 . . . A 216 GLN HA . 34111 1 376 . 1 1 37 37 GLN HB2 H 1 1.924 0.014 . 2 . . . A 216 GLN HB2 . 34111 1 377 . 1 1 37 37 GLN HB3 H 1 2.03 0.012 . 2 . . . A 216 GLN HB3 . 34111 1 378 . 1 1 37 37 GLN HG2 H 1 2.438 0.008 . 1 . . . A 216 GLN HG2 . 34111 1 379 . 1 1 37 37 GLN HE21 H 1 6.872 0.002 . 1 . . . A 216 GLN HE21 . 34111 1 380 . 1 1 37 37 GLN HE22 H 1 7.542 0.006 . 1 . . . A 216 GLN HE22 . 34111 1 381 . 1 1 37 37 GLN CA C 13 54.168 0.058 . 1 . . . A 216 GLN CA . 34111 1 382 . 1 1 37 37 GLN CB C 13 31.876 0.097 . 1 . . . A 216 GLN CB . 34111 1 383 . 1 1 37 37 GLN CG C 13 33.82 0 . 1 . . . A 216 GLN CG . 34111 1 384 . 1 1 37 37 GLN N N 15 120.517 0.06 . 1 . . . A 216 GLN N . 34111 1 385 . 1 1 37 37 GLN NE2 N 15 111.284 0.044 . 1 . . . A 216 GLN NE2 . 34111 1 386 . 1 1 38 38 LEU H H 1 9.043 0.006 . 1 . . . A 217 LEU H . 34111 1 387 . 1 1 38 38 LEU HA H 1 4.799 0.002 . 1 . . . A 217 LEU HA . 34111 1 388 . 1 1 38 38 LEU HB2 H 1 1.931 0.013 . 1 . . . A 217 LEU HB2 . 34111 1 389 . 1 1 38 38 LEU HG H 1 1.659 0.009 . 1 . . . A 217 LEU HG . 34111 1 390 . 1 1 38 38 LEU HD11 H 1 0.839 0.01 . 2 . . . A 217 LEU HD11 . 34111 1 391 . 1 1 38 38 LEU HD12 H 1 0.839 0.01 . 2 . . . A 217 LEU HD12 . 34111 1 392 . 1 1 38 38 LEU HD13 H 1 0.839 0.01 . 2 . . . A 217 LEU HD13 . 34111 1 393 . 1 1 38 38 LEU HD21 H 1 0.897 0.008 . 2 . . . A 217 LEU HD21 . 34111 1 394 . 1 1 38 38 LEU HD22 H 1 0.897 0.008 . 2 . . . A 217 LEU HD22 . 34111 1 395 . 1 1 38 38 LEU HD23 H 1 0.897 0.008 . 2 . . . A 217 LEU HD23 . 34111 1 396 . 1 1 38 38 LEU CA C 13 54.676 0.078 . 1 . . . A 217 LEU CA . 34111 1 397 . 1 1 38 38 LEU CB C 13 42.565 0.093 . 1 . . . A 217 LEU CB . 34111 1 398 . 1 1 38 38 LEU CD1 C 13 22.651 0.061 . 2 . . . A 217 LEU CD1 . 34111 1 399 . 1 1 38 38 LEU CD2 C 13 25.472 0.055 . 2 . . . A 217 LEU CD2 . 34111 1 400 . 1 1 38 38 LEU N N 15 127.28 0.037 . 1 . . . A 217 LEU N . 34111 1 401 . 1 1 39 39 ASN H H 1 9.013 0.006 . 1 . . . A 218 ASN H . 34111 1 402 . 1 1 39 39 ASN HA H 1 4.42 0.024 . 1 . . . A 218 ASN HA . 34111 1 403 . 1 1 39 39 ASN HB2 H 1 2.933 0.008 . 1 . . . A 218 ASN HB2 . 34111 1 404 . 1 1 39 39 ASN HD21 H 1 7.116 0.002 . 1 . . . A 218 ASN HD21 . 34111 1 405 . 1 1 39 39 ASN HD22 H 1 7.719 0.002 . 1 . . . A 218 ASN HD22 . 34111 1 406 . 1 1 39 39 ASN CA C 13 56.13 0.176 . 1 . . . A 218 ASN CA . 34111 1 407 . 1 1 39 39 ASN CB C 13 37.66 0.012 . 1 . . . A 218 ASN CB . 34111 1 408 . 1 1 39 39 ASN N N 15 121.312 0.084 . 1 . . . A 218 ASN N . 34111 1 409 . 1 1 39 39 ASN ND2 N 15 111.461 0.057 . 1 . . . A 218 ASN ND2 . 34111 1 410 . 1 1 40 40 SER H H 1 7.828 0.007 . 1 . . . A 219 SER H . 34111 1 411 . 1 1 40 40 SER HA H 1 4.332 0.012 . 1 . . . A 219 SER HA . 34111 1 412 . 1 1 40 40 SER HB2 H 1 4.115 0.021 . 2 . . . A 219 SER HB2 . 34111 1 413 . 1 1 40 40 SER HB3 H 1 3.945 0.008 . 2 . . . A 219 SER HB3 . 34111 1 414 . 1 1 40 40 SER CA C 13 58.383 0.108 . 1 . . . A 219 SER CA . 34111 1 415 . 1 1 40 40 SER CB C 13 63.791 0.099 . 1 . . . A 219 SER CB . 34111 1 416 . 1 1 40 40 SER N N 15 111.208 0.026 . 1 . . . A 219 SER N . 34111 1 417 . 1 1 41 41 GLY H H 1 8.097 0.005 . 1 . . . A 220 GLY H . 34111 1 418 . 1 1 41 41 GLY HA2 H 1 4.52 0.005 . 2 . . . A 220 GLY HA2 . 34111 1 419 . 1 1 41 41 GLY HA3 H 1 3.595 0.006 . 2 . . . A 220 GLY HA3 . 34111 1 420 . 1 1 41 41 GLY CA C 13 44.928 0.057 . 1 . . . A 220 GLY CA . 34111 1 421 . 1 1 41 41 GLY N N 15 109.844 0.045 . 1 . . . A 220 GLY N . 34111 1 422 . 1 1 42 42 MET H H 1 7.387 0.008 . 1 . . . A 221 MET H . 34111 1 423 . 1 1 42 42 MET HA H 1 4.49 0.007 . 1 . . . A 221 MET HA . 34111 1 424 . 1 1 42 42 MET HB2 H 1 1.981 0.007 . 1 . . . A 221 MET HB2 . 34111 1 425 . 1 1 42 42 MET HG2 H 1 2.566 0.012 . 1 . . . A 221 MET HG2 . 34111 1 426 . 1 1 42 42 MET HE1 H 1 2.102 0.017 . 1 . . . A 221 MET HE1 . 34111 1 427 . 1 1 42 42 MET HE2 H 1 2.102 0.017 . 1 . . . A 221 MET HE2 . 34111 1 428 . 1 1 42 42 MET HE3 H 1 2.102 0.017 . 1 . . . A 221 MET HE3 . 34111 1 429 . 1 1 42 42 MET CA C 13 55.699 0.02 . 1 . . . A 221 MET CA . 34111 1 430 . 1 1 42 42 MET CB C 13 33.852 0.076 . 1 . . . A 221 MET CB . 34111 1 431 . 1 1 42 42 MET CG C 13 31.841 0 . 1 . . . A 221 MET CG . 34111 1 432 . 1 1 42 42 MET CE C 13 17.044 0.009 . 1 . . . A 221 MET CE . 34111 1 433 . 1 1 42 42 MET N N 15 120.127 0.052 . 1 . . . A 221 MET N . 34111 1 434 . 1 1 43 43 SER H H 1 8.523 0.006 . 1 . . . A 222 SER H . 34111 1 435 . 1 1 43 43 SER HA H 1 5.744 0.004 . 1 . . . A 222 SER HA . 34111 1 436 . 1 1 43 43 SER HB2 H 1 3.752 0.007 . 1 . . . A 222 SER HB2 . 34111 1 437 . 1 1 43 43 SER CA C 13 56.315 0.092 . 1 . . . A 222 SER CA . 34111 1 438 . 1 1 43 43 SER CB C 13 65.871 0.052 . 1 . . . A 222 SER CB . 34111 1 439 . 1 1 43 43 SER N N 15 117.59 0.055 . 1 . . . A 222 SER N . 34111 1 440 . 1 1 44 44 LEU H H 1 8.678 0.006 . 1 . . . A 223 LEU H . 34111 1 441 . 1 1 44 44 LEU HA H 1 4.724 0.012 . 1 . . . A 223 LEU HA . 34111 1 442 . 1 1 44 44 LEU HB2 H 1 1.53 0.01 . 2 . . . A 223 LEU HB2 . 34111 1 443 . 1 1 44 44 LEU HB3 H 1 1.635 0.023 . 2 . . . A 223 LEU HB3 . 34111 1 444 . 1 1 44 44 LEU HG H 1 1.424 0 . 1 . . . A 223 LEU HG . 34111 1 445 . 1 1 44 44 LEU HD11 H 1 0.795 0.016 . 1 . . . A 223 LEU HD11 . 34111 1 446 . 1 1 44 44 LEU HD12 H 1 0.795 0.016 . 1 . . . A 223 LEU HD12 . 34111 1 447 . 1 1 44 44 LEU HD13 H 1 0.795 0.016 . 1 . . . A 223 LEU HD13 . 34111 1 448 . 1 1 44 44 LEU CA C 13 54.72 0.003 . 1 . . . A 223 LEU CA . 34111 1 449 . 1 1 44 44 LEU CB C 13 45.28 0.049 . 1 . . . A 223 LEU CB . 34111 1 450 . 1 1 44 44 LEU CD1 C 13 23.381 0.012 . 1 . . . A 223 LEU CD1 . 34111 1 451 . 1 1 44 44 LEU N N 15 121.602 0.058 . 1 . . . A 223 LEU N . 34111 1 452 . 1 1 45 45 ILE H H 1 8.381 0.004 . 1 . . . A 224 ILE H . 34111 1 453 . 1 1 45 45 ILE HA H 1 4.764 0.013 . 1 . . . A 224 ILE HA . 34111 1 454 . 1 1 45 45 ILE HB H 1 1.719 0.006 . 1 . . . A 224 ILE HB . 34111 1 455 . 1 1 45 45 ILE HG12 H 1 1.562 0.011 . 2 . . . A 224 ILE HG12 . 34111 1 456 . 1 1 45 45 ILE HG13 H 1 0.867 0.006 . 2 . . . A 224 ILE HG13 . 34111 1 457 . 1 1 45 45 ILE HG21 H 1 0.64 0.012 . 1 . . . A 224 ILE HG21 . 34111 1 458 . 1 1 45 45 ILE HG22 H 1 0.64 0.012 . 1 . . . A 224 ILE HG22 . 34111 1 459 . 1 1 45 45 ILE HG23 H 1 0.64 0.012 . 1 . . . A 224 ILE HG23 . 34111 1 460 . 1 1 45 45 ILE HD11 H 1 0.78 0.008 . 1 . . . A 224 ILE HD11 . 34111 1 461 . 1 1 45 45 ILE HD12 H 1 0.78 0.008 . 1 . . . A 224 ILE HD12 . 34111 1 462 . 1 1 45 45 ILE HD13 H 1 0.78 0.008 . 1 . . . A 224 ILE HD13 . 34111 1 463 . 1 1 45 45 ILE CA C 13 60.537 0.034 . 1 . . . A 224 ILE CA . 34111 1 464 . 1 1 45 45 ILE CB C 13 37.848 0.053 . 1 . . . A 224 ILE CB . 34111 1 465 . 1 1 45 45 ILE CG1 C 13 27.883 0.019 . 1 . . . A 224 ILE CG1 . 34111 1 466 . 1 1 45 45 ILE CG2 C 13 17.209 0.038 . 1 . . . A 224 ILE CG2 . 34111 1 467 . 1 1 45 45 ILE CD1 C 13 12.601 0.051 . 1 . . . A 224 ILE CD1 . 34111 1 468 . 1 1 45 45 ILE N N 15 121.346 0.054 . 1 . . . A 224 ILE N . 34111 1 469 . 1 1 46 46 VAL H H 1 8.966 0.005 . 1 . . . A 225 VAL H . 34111 1 470 . 1 1 46 46 VAL HA H 1 4.686 0.01 . 1 . . . A 225 VAL HA . 34111 1 471 . 1 1 46 46 VAL HB H 1 2.308 0.005 . 1 . . . A 225 VAL HB . 34111 1 472 . 1 1 46 46 VAL HG11 H 1 0.867 0.017 . 2 . . . A 225 VAL HG11 . 34111 1 473 . 1 1 46 46 VAL HG12 H 1 0.867 0.017 . 2 . . . A 225 VAL HG12 . 34111 1 474 . 1 1 46 46 VAL HG13 H 1 0.867 0.017 . 2 . . . A 225 VAL HG13 . 34111 1 475 . 1 1 46 46 VAL HG21 H 1 0.941 0.017 . 2 . . . A 225 VAL HG21 . 34111 1 476 . 1 1 46 46 VAL HG22 H 1 0.941 0.017 . 2 . . . A 225 VAL HG22 . 34111 1 477 . 1 1 46 46 VAL HG23 H 1 0.941 0.017 . 2 . . . A 225 VAL HG23 . 34111 1 478 . 1 1 46 46 VAL CA C 13 59.337 0.027 . 1 . . . A 225 VAL CA . 34111 1 479 . 1 1 46 46 VAL CB C 13 35.067 0.029 . 1 . . . A 225 VAL CB . 34111 1 480 . 1 1 46 46 VAL N N 15 123.756 0.038 . 1 . . . A 225 VAL N . 34111 1 481 . 1 1 47 47 ARG H H 1 9.147 0.004 . 1 . . . A 226 ARG H . 34111 1 482 . 1 1 47 47 ARG HA H 1 4.52 0.005 . 1 . . . A 226 ARG HA . 34111 1 483 . 1 1 47 47 ARG HB2 H 1 1.535 0.02 . 2 . . . A 226 ARG HB2 . 34111 1 484 . 1 1 47 47 ARG HB3 H 1 2.138 0.02 . 2 . . . A 226 ARG HB3 . 34111 1 485 . 1 1 47 47 ARG HG2 H 1 1.754 0.008 . 1 . . . A 226 ARG HG2 . 34111 1 486 . 1 1 47 47 ARG HD2 H 1 3.236 0.013 . 1 . . . A 226 ARG HD2 . 34111 1 487 . 1 1 47 47 ARG CA C 13 55.452 0.039 . 1 . . . A 226 ARG CA . 34111 1 488 . 1 1 47 47 ARG CB C 13 31.498 0.087 . 1 . . . A 226 ARG CB . 34111 1 489 . 1 1 47 47 ARG CG C 13 27.85 0.032 . 1 . . . A 226 ARG CG . 34111 1 490 . 1 1 47 47 ARG CD C 13 43.222 0 . 1 . . . A 226 ARG CD . 34111 1 491 . 1 1 47 47 ARG N N 15 122.13 0.035 . 1 . . . A 226 ARG N . 34111 1 492 . 1 1 48 48 ALA H H 1 8.833 0.005 . 1 . . . A 227 ALA H . 34111 1 493 . 1 1 48 48 ALA HA H 1 3.859 0.009 . 1 . . . A 227 ALA HA . 34111 1 494 . 1 1 48 48 ALA HB1 H 1 1.471 0.007 . 1 . . . A 227 ALA HB1 . 34111 1 495 . 1 1 48 48 ALA HB2 H 1 1.471 0.007 . 1 . . . A 227 ALA HB2 . 34111 1 496 . 1 1 48 48 ALA HB3 H 1 1.471 0.007 . 1 . . . A 227 ALA HB3 . 34111 1 497 . 1 1 48 48 ALA CA C 13 55.626 0.046 . 1 . . . A 227 ALA CA . 34111 1 498 . 1 1 48 48 ALA CB C 13 18.538 0.098 . 1 . . . A 227 ALA CB . 34111 1 499 . 1 1 48 48 ALA N N 15 122.605 0.045 . 1 . . . A 227 ALA N . 34111 1 500 . 1 1 49 49 GLU H H 1 9.112 0.005 . 1 . . . A 228 GLU H . 34111 1 501 . 1 1 49 49 GLU HA H 1 4.234 0.01 . 1 . . . A 228 GLU HA . 34111 1 502 . 1 1 49 49 GLU HB2 H 1 1.948 0.007 . 1 . . . A 228 GLU HB2 . 34111 1 503 . 1 1 49 49 GLU HG2 H 1 1.875 0 . 1 . . . A 228 GLU HG2 . 34111 1 504 . 1 1 49 49 GLU CA C 13 58.196 0.154 . 1 . . . A 228 GLU CA . 34111 1 505 . 1 1 49 49 GLU CB C 13 28.338 0.106 . 1 . . . A 228 GLU CB . 34111 1 506 . 1 1 49 49 GLU CG C 13 32.618 0 . 1 . . . A 228 GLU CG . 34111 1 507 . 1 1 49 49 GLU N N 15 113.289 0.027 . 1 . . . A 228 GLU N . 34111 1 508 . 1 1 50 50 HIS H H 1 7.994 0.006 . 1 . . . A 229 HIS H . 34111 1 509 . 1 1 50 50 HIS HA H 1 4.835 0.005 . 1 . . . A 229 HIS HA . 34111 1 510 . 1 1 50 50 HIS HB2 H 1 3.146 0.009 . 2 . . . A 229 HIS HB2 . 34111 1 511 . 1 1 50 50 HIS HB3 H 1 3.588 0.004 . 2 . . . A 229 HIS HB3 . 34111 1 512 . 1 1 50 50 HIS HD2 H 1 7.02 0 . 1 . . . A 229 HIS HD2 . 34111 1 513 . 1 1 50 50 HIS CA C 13 55.662 0 . 1 . . . A 229 HIS CA . 34111 1 514 . 1 1 50 50 HIS CB C 13 31.69 0.002 . 1 . . . A 229 HIS CB . 34111 1 515 . 1 1 50 50 HIS N N 15 118.929 0.074 . 1 . . . A 229 HIS N . 34111 1 516 . 1 1 51 51 LEU H H 1 7.588 0.006 . 1 . . . A 230 LEU H . 34111 1 517 . 1 1 51 51 LEU HA H 1 5.002 0.01 . 1 . . . A 230 LEU HA . 34111 1 518 . 1 1 51 51 LEU HB2 H 1 1.292 0.011 . 2 . . . A 230 LEU HB2 . 34111 1 519 . 1 1 51 51 LEU HB3 H 1 2.064 0.011 . 2 . . . A 230 LEU HB3 . 34111 1 520 . 1 1 51 51 LEU HG H 1 1.842 0.009 . 1 . . . A 230 LEU HG . 34111 1 521 . 1 1 51 51 LEU HD11 H 1 0.766 0.005 . 2 . . . A 230 LEU HD11 . 34111 1 522 . 1 1 51 51 LEU HD12 H 1 0.766 0.005 . 2 . . . A 230 LEU HD12 . 34111 1 523 . 1 1 51 51 LEU HD13 H 1 0.766 0.005 . 2 . . . A 230 LEU HD13 . 34111 1 524 . 1 1 51 51 LEU HD21 H 1 0.802 0.006 . 2 . . . A 230 LEU HD21 . 34111 1 525 . 1 1 51 51 LEU HD22 H 1 0.802 0.006 . 2 . . . A 230 LEU HD22 . 34111 1 526 . 1 1 51 51 LEU HD23 H 1 0.802 0.006 . 2 . . . A 230 LEU HD23 . 34111 1 527 . 1 1 51 51 LEU CA C 13 54.178 0.04 . 1 . . . A 230 LEU CA . 34111 1 528 . 1 1 51 51 LEU CB C 13 43.64 0.072 . 1 . . . A 230 LEU CB . 34111 1 529 . 1 1 51 51 LEU CG C 13 26.107 0.03 . 1 . . . A 230 LEU CG . 34111 1 530 . 1 1 51 51 LEU CD1 C 13 23.688 0.037 . 2 . . . A 230 LEU CD1 . 34111 1 531 . 1 1 51 51 LEU CD2 C 13 25.917 0.104 . 2 . . . A 230 LEU CD2 . 34111 1 532 . 1 1 51 51 LEU N N 15 118.692 0.061 . 1 . . . A 230 LEU N . 34111 1 533 . 1 1 52 52 VAL H H 1 8.654 0.004 . 1 . . . A 231 VAL H . 34111 1 534 . 1 1 52 52 VAL HA H 1 4.31 0.013 . 1 . . . A 231 VAL HA . 34111 1 535 . 1 1 52 52 VAL HB H 1 1.905 0.009 . 1 . . . A 231 VAL HB . 34111 1 536 . 1 1 52 52 VAL HG11 H 1 0.845 0.019 . 2 . . . A 231 VAL HG11 . 34111 1 537 . 1 1 52 52 VAL HG12 H 1 0.845 0.019 . 2 . . . A 231 VAL HG12 . 34111 1 538 . 1 1 52 52 VAL HG13 H 1 0.845 0.019 . 2 . . . A 231 VAL HG13 . 34111 1 539 . 1 1 52 52 VAL HG21 H 1 0.733 0.008 . 2 . . . A 231 VAL HG21 . 34111 1 540 . 1 1 52 52 VAL HG22 H 1 0.733 0.008 . 2 . . . A 231 VAL HG22 . 34111 1 541 . 1 1 52 52 VAL HG23 H 1 0.733 0.008 . 2 . . . A 231 VAL HG23 . 34111 1 542 . 1 1 52 52 VAL CA C 13 61.331 0.039 . 1 . . . A 231 VAL CA . 34111 1 543 . 1 1 52 52 VAL CB C 13 33.988 0.094 . 1 . . . A 231 VAL CB . 34111 1 544 . 1 1 52 52 VAL CG1 C 13 20.977 0.024 . 2 . . . A 231 VAL CG1 . 34111 1 545 . 1 1 52 52 VAL CG2 C 13 20.268 0.013 . 2 . . . A 231 VAL CG2 . 34111 1 546 . 1 1 52 52 VAL N N 15 120.718 0.062 . 1 . . . A 231 VAL N . 34111 1 547 . 1 1 53 53 PHE H H 1 8.082 0.008 . 1 . . . A 232 PHE H . 34111 1 548 . 1 1 53 53 PHE HA H 1 4.56 0.005 . 1 . . . A 232 PHE HA . 34111 1 549 . 1 1 53 53 PHE HB2 H 1 2.991 0.009 . 2 . . . A 232 PHE HB2 . 34111 1 550 . 1 1 53 53 PHE HB3 H 1 3.225 0.006 . 2 . . . A 232 PHE HB3 . 34111 1 551 . 1 1 53 53 PHE HD1 H 1 7.165 0.013 . 1 . . . A 232 PHE HD1 . 34111 1 552 . 1 1 53 53 PHE HD2 H 1 7.165 0.013 . 1 . . . A 232 PHE HD2 . 34111 1 553 . 1 1 53 53 PHE HE1 H 1 7.256 0 . 1 . . . A 232 PHE HE1 . 34111 1 554 . 1 1 53 53 PHE HE2 H 1 7.256 0 . 1 . . . A 232 PHE HE2 . 34111 1 555 . 1 1 53 53 PHE CA C 13 58.906 0.044 . 1 . . . A 232 PHE CA . 34111 1 556 . 1 1 53 53 PHE CB C 13 40.059 0.068 . 1 . . . A 232 PHE CB . 34111 1 557 . 1 1 53 53 PHE CD1 C 13 132.026 0.082 . 1 . . . A 232 PHE CD1 . 34111 1 558 . 1 1 53 53 PHE CD2 C 13 132.026 0.082 . 1 . . . A 232 PHE CD2 . 34111 1 559 . 1 1 53 53 PHE N N 15 128.085 0.045 . 1 . . . A 232 PHE N . 34111 1 stop_ save_