data_50880 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50880 _Entry.Title ; CREB 285 to 315 apo ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-04-08 _Entry.Accession_date 2021-04-08 _Entry.Last_release_date 2021-04-08 _Entry.Original_release_date 2021-04-08 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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 'Conor Francis' Kelly . F. . 0000-0002-0606-1125 50880 2 Christina Redfield . . . 0000-0001-7297-7708 50880 3 Sarah Shammas . . . . 50880 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50880 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 139 50880 '15N chemical shifts' 30 50880 '1H chemical shifts' 230 50880 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 . . 2024-08-28 . original BMRB . 50880 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50872 'CREB 285-339 apo-state dimer' 50880 BMRB 50873 'CREB 285-339 with CRE DNA' 50880 BMRB 50874 'CREB 285-339 nCRE 35C' 50880 BMRB 50875 'CREB 285-339 non-CRE 25C' 50880 BMRB 50876 'CREB 277-339 apo' 50880 BMRB 50877 'CREB 277-339 with CRE DNA' 50880 BMRB 50878 'CREB 277-339 with non-CRE DNA non-symmetric' 50880 BMRB 50879 'CREB 277-339 nonCRE symmetric (p1)' 50880 BMRB 50881 'CREB 285-315 with CRE DNA 35C' 50880 BMRB 50882 'CREB 285-315 with nonCRE DNA' 50880 BMRB 50884 'CREB 277-315 apo' 50880 BMRB 50885 'CREB 277-315 with nCRE' 50880 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50880 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The transition state for coupled folding and binding of a disordered DNA binding domain resembles the unbound state ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic Acids Research' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 'Conor Francis' Kelly . F. . . 50880 1 2 Mikhail Kuravsky . . . . 50880 1 3 Christina Redfield . . . . 50880 1 4 Sarah Shammas . . . . 50880 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CREB 50880 1 DNA 50880 1 bzip 50880 1 'leucine zipper' 50880 1 transcription 50880 1 'transcription factor' 50880 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50880 _Assembly.ID 1 _Assembly.Name 'CREB 285-315' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'CREB 285-315 exists in solution as a monomer.' _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 'CREB 285-315' 1 $entity_1 . . yes native no no . . . 50880 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50880 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GKREVRLMKNREAARESRRK KKEYVKSLENRV ; _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 32 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 1 284 GLY . 50880 1 2 285 LYS . 50880 1 3 286 ARG . 50880 1 4 287 GLU . 50880 1 5 288 VAL . 50880 1 6 289 ARG . 50880 1 7 290 LEU . 50880 1 8 291 MET . 50880 1 9 292 LYS . 50880 1 10 293 ASN . 50880 1 11 294 ARG . 50880 1 12 295 GLU . 50880 1 13 296 ALA . 50880 1 14 297 ALA . 50880 1 15 298 ARG . 50880 1 16 299 GLU . 50880 1 17 300 SER . 50880 1 18 301 ARG . 50880 1 19 302 ARG . 50880 1 20 303 LYS . 50880 1 21 304 LYS . 50880 1 22 305 LYS . 50880 1 23 306 GLU . 50880 1 24 307 TYR . 50880 1 25 308 VAL . 50880 1 26 309 LYS . 50880 1 27 310 SER . 50880 1 28 311 LEU . 50880 1 29 312 GLU . 50880 1 30 313 ASN . 50880 1 31 314 ARG . 50880 1 32 315 VAL . 50880 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 50880 1 . LYS 2 2 50880 1 . ARG 3 3 50880 1 . GLU 4 4 50880 1 . VAL 5 5 50880 1 . ARG 6 6 50880 1 . LEU 7 7 50880 1 . MET 8 8 50880 1 . LYS 9 9 50880 1 . ASN 10 10 50880 1 . ARG 11 11 50880 1 . GLU 12 12 50880 1 . ALA 13 13 50880 1 . ALA 14 14 50880 1 . ARG 15 15 50880 1 . GLU 16 16 50880 1 . SER 17 17 50880 1 . ARG 18 18 50880 1 . ARG 19 19 50880 1 . LYS 20 20 50880 1 . LYS 21 21 50880 1 . LYS 22 22 50880 1 . GLU 23 23 50880 1 . TYR 24 24 50880 1 . VAL 25 25 50880 1 . LYS 26 26 50880 1 . SER 27 27 50880 1 . LEU 28 28 50880 1 . GLU 29 29 50880 1 . ASN 30 30 50880 1 . ARG 31 31 50880 1 . VAL 32 32 50880 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50880 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50880 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50880 _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' . . . Escherichia coli . . . plasmid . . pHSG299 . . . 50880 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50880 _Sample.ID 1 _Sample.Name '15N 13C CREB 285-315' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 'CREB 285-315' '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 400 . . uM . . . . 50880 1 2 'Magnesium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 50880 1 3 DSS 'natural abundance' . . . . . . 10 . . uM . . . . 50880 1 4 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 50880 1 5 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 50880 1 6 TRIS [U-2H] . . . . . . 10 . . mM . . . . 50880 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 50880 _Sample_condition_list.ID 1 _Sample_condition_list.Name '298K collection' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.185 . mM 50880 1 pH 6.5 . pH 50880 1 pressure 1 . atm 50880 1 temperature 298 . K 50880 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50880 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50880 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50880 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version 9.8 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50880 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50880 _Software.ID 3 _Software.Type . _Software.Name ANALYSIS _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50880 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 50880 _Software.ID 4 _Software.Type . _Software.Name istHMS _Software.Version v211_64b _Software.DOI . _Software.Details 'software for NUS reconstruction' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50880 4 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 50880 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 600' _NMR_spectrometer.Details 'equipped with TCI CryoProbe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50880 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _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 . . . . . . . . . . . . . . . . . 50880 1 2 '2D 1H-13C HMQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50880 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50880 1 4 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50880 1 5 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50880 1 6 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50880 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50880 1 8 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50880 1 9 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50880 1 10 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50880 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 50880 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'CREB 285-315 apo' _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 carbons' . . . . ppm 0 internal direct 1 . . . . . 50880 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 50880 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 50880 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 50880 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'CREB 285-315 apo' _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50880 1 2 '2D 1H-13C HMQC' . . . 50880 1 3 '3D CBCA(CO)NH' . . . 50880 1 4 '3D HBHA(CO)NH' . . . 50880 1 5 '3D HNCO' . . . 50880 1 6 '3D HN(CA)CO' . . . 50880 1 7 '3D HCCH-TOCSY' . . . 50880 1 8 '3D HNCA' . . . 50880 1 9 '3D C(CO)NH' . . . 50880 1 10 '3D H(CCO)NH' . . . 50880 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 50880 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 LYS HA H 1 4.303 0.000 . 1 . . . . . 285 LYS HA . 50880 1 2 . 1 . 1 2 2 LYS HB2 H 1 1.801 0.000 . 1 . . . . . 285 LYS HB2 . 50880 1 3 . 1 . 1 2 2 LYS HB3 H 1 1.801 0.000 . 1 . . . . . 285 LYS HB3 . 50880 1 4 . 1 . 1 2 2 LYS HG2 H 1 1.440 0.000 . 1 . . . . . 285 LYS HG2 . 50880 1 5 . 1 . 1 2 2 LYS HG3 H 1 1.440 0.000 . 1 . . . . . 285 LYS HG3 . 50880 1 6 . 1 . 1 2 2 LYS HD2 H 1 1.690 0.000 . 1 . . . . . 285 LYS HD2 . 50880 1 7 . 1 . 1 2 2 LYS HD3 H 1 1.690 0.000 . 1 . . . . . 285 LYS HD3 . 50880 1 8 . 1 . 1 2 2 LYS HE2 H 1 2.997 0.000 . 1 . . . . . 285 LYS HE2 . 50880 1 9 . 1 . 1 2 2 LYS HE3 H 1 2.997 0.000 . 1 . . . . . 285 LYS HE3 . 50880 1 10 . 1 . 1 2 2 LYS C C 13 176.769 0.000 . 1 . . . . . 285 LYS C . 50880 1 11 . 1 . 1 2 2 LYS CA C 13 56.873 0.000 . 1 . . . . . 285 LYS CA . 50880 1 12 . 1 . 1 2 2 LYS CB C 13 33.205 0.000 . 1 . . . . . 285 LYS CB . 50880 1 13 . 1 . 1 2 2 LYS CG C 13 24.635 0.000 . 1 . . . . . 285 LYS CG . 50880 1 14 . 1 . 1 2 2 LYS CD C 13 29.069 0.000 . 1 . . . . . 285 LYS CD . 50880 1 15 . 1 . 1 3 3 ARG H H 1 8.545 0.002 . 1 . . . . . 286 ARG H . 50880 1 16 . 1 . 1 3 3 ARG HA H 1 4.290 0.000 . 1 . . . . . 286 ARG HA . 50880 1 17 . 1 . 1 3 3 ARG HB2 H 1 1.804 0.000 . 1 . . . . . 286 ARG HB2 . 50880 1 18 . 1 . 1 3 3 ARG HB3 H 1 1.804 0.000 . 1 . . . . . 286 ARG HB3 . 50880 1 19 . 1 . 1 3 3 ARG HG2 H 1 1.587 0.000 . 2 . . . . . 286 ARG HG2 . 50880 1 20 . 1 . 1 3 3 ARG HG3 H 1 1.666 0.000 . 2 . . . . . 286 ARG HG3 . 50880 1 21 . 1 . 1 3 3 ARG HD2 H 1 3.211 0.000 . 1 . . . . . 286 ARG HD2 . 50880 1 22 . 1 . 1 3 3 ARG HD3 H 1 3.211 0.000 . 1 . . . . . 286 ARG HD3 . 50880 1 23 . 1 . 1 3 3 ARG C C 13 176.261 0.000 . 1 . . . . . 286 ARG C . 50880 1 24 . 1 . 1 3 3 ARG CA C 13 56.629 0.000 . 1 . . . . . 286 ARG CA . 50880 1 25 . 1 . 1 3 3 ARG CB C 13 30.626 0.000 . 1 . . . . . 286 ARG CB . 50880 1 26 . 1 . 1 3 3 ARG CG C 13 27.039 0.000 . 1 . . . . . 286 ARG CG . 50880 1 27 . 1 . 1 3 3 ARG CD C 13 43.250 0.000 . 1 . . . . . 286 ARG CD . 50880 1 28 . 1 . 1 3 3 ARG N N 15 122.939 0.097 . 1 . . . . . 286 ARG N . 50880 1 29 . 1 . 1 4 4 GLU H H 1 8.484 0.001 . 1 . . . . . 287 GLU H . 50880 1 30 . 1 . 1 4 4 GLU HA H 1 4.291 0.000 . 1 . . . . . 287 GLU HA . 50880 1 31 . 1 . 1 4 4 GLU HB2 H 1 1.979 0.013 . 1 . . . . . 287 GLU HB2 . 50880 1 32 . 1 . 1 4 4 GLU HB3 H 1 1.979 0.013 . 1 . . . . . 287 GLU HB3 . 50880 1 33 . 1 . 1 4 4 GLU HG2 H 1 2.257 0.006 . 1 . . . . . 287 GLU HG2 . 50880 1 34 . 1 . 1 4 4 GLU HG3 H 1 2.257 0.006 . 1 . . . . . 287 GLU HG3 . 50880 1 35 . 1 . 1 4 4 GLU C C 13 176.591 0.006 . 1 . . . . . 287 GLU C . 50880 1 36 . 1 . 1 4 4 GLU CA C 13 56.803 0.040 . 1 . . . . . 287 GLU CA . 50880 1 37 . 1 . 1 4 4 GLU CB C 13 30.178 0.000 . 1 . . . . . 287 GLU CB . 50880 1 38 . 1 . 1 4 4 GLU CG C 13 36.336 0.025 . 1 . . . . . 287 GLU CG . 50880 1 39 . 1 . 1 4 4 GLU N N 15 123.046 0.046 . 1 . . . . . 287 GLU N . 50880 1 40 . 1 . 1 5 5 VAL H H 1 8.234 0.003 . 1 . . . . . 288 VAL H . 50880 1 41 . 1 . 1 5 5 VAL HA H 1 4.043 0.000 . 1 . . . . . 288 VAL HA . 50880 1 42 . 1 . 1 5 5 VAL HB H 1 2.066 0.000 . 1 . . . . . 288 VAL HB . 50880 1 43 . 1 . 1 5 5 VAL HG11 H 1 0.948 0.008 . 1 . . . . . 288 VAL HG11 . 50880 1 44 . 1 . 1 5 5 VAL HG12 H 1 0.948 0.008 . 1 . . . . . 288 VAL HG12 . 50880 1 45 . 1 . 1 5 5 VAL HG13 H 1 0.948 0.008 . 1 . . . . . 288 VAL HG13 . 50880 1 46 . 1 . 1 5 5 VAL HG21 H 1 0.948 0.008 . 1 . . . . . 288 VAL HG21 . 50880 1 47 . 1 . 1 5 5 VAL HG22 H 1 0.948 0.008 . 1 . . . . . 288 VAL HG22 . 50880 1 48 . 1 . 1 5 5 VAL HG23 H 1 0.948 0.008 . 1 . . . . . 288 VAL HG23 . 50880 1 49 . 1 . 1 5 5 VAL C C 13 176.299 0.005 . 1 . . . . . 288 VAL C . 50880 1 50 . 1 . 1 5 5 VAL CA C 13 62.943 0.003 . 1 . . . . . 288 VAL CA . 50880 1 51 . 1 . 1 5 5 VAL CB C 13 32.562 0.000 . 1 . . . . . 288 VAL CB . 50880 1 52 . 1 . 1 5 5 VAL CG1 C 13 20.871 0.022 . 1 . . . . . 288 VAL CG1 . 50880 1 53 . 1 . 1 5 5 VAL CG2 C 13 20.871 0.022 . 1 . . . . . 288 VAL CG2 . 50880 1 54 . 1 . 1 5 5 VAL N N 15 122.461 0.037 . 1 . . . . . 288 VAL N . 50880 1 55 . 1 . 1 6 6 ARG H H 1 8.377 0.001 . 1 . . . . . 289 ARG H . 50880 1 56 . 1 . 1 6 6 ARG HA H 1 4.324 0.000 . 1 . . . . . 289 ARG HA . 50880 1 57 . 1 . 1 6 6 ARG HB2 H 1 1.809 0.000 . 1 . . . . . 289 ARG HB2 . 50880 1 58 . 1 . 1 6 6 ARG HB3 H 1 1.809 0.000 . 1 . . . . . 289 ARG HB3 . 50880 1 59 . 1 . 1 6 6 ARG HG2 H 1 1.617 0.000 . 1 . . . . . 289 ARG HG2 . 50880 1 60 . 1 . 1 6 6 ARG HG3 H 1 1.617 0.000 . 1 . . . . . 289 ARG HG3 . 50880 1 61 . 1 . 1 6 6 ARG HD2 H 1 3.202 0.003 . 1 . . . . . 289 ARG HD2 . 50880 1 62 . 1 . 1 6 6 ARG HD3 H 1 3.202 0.003 . 1 . . . . . 289 ARG HD3 . 50880 1 63 . 1 . 1 6 6 ARG C C 13 176.216 0.005 . 1 . . . . . 289 ARG C . 50880 1 64 . 1 . 1 6 6 ARG CA C 13 56.380 0.002 . 1 . . . . . 289 ARG CA . 50880 1 65 . 1 . 1 6 6 ARG CB C 13 30.671 0.000 . 1 . . . . . 289 ARG CB . 50880 1 66 . 1 . 1 6 6 ARG CG C 13 27.046 0.000 . 1 . . . . . 289 ARG CG . 50880 1 67 . 1 . 1 6 6 ARG CD C 13 43.401 0.070 . 1 . . . . . 289 ARG CD . 50880 1 68 . 1 . 1 6 6 ARG N N 15 124.714 0.071 . 1 . . . . . 289 ARG N . 50880 1 69 . 1 . 1 7 7 LEU H H 1 8.253 0.001 . 1 . . . . . 290 LEU H . 50880 1 70 . 1 . 1 7 7 LEU HA H 1 4.332 0.000 . 1 . . . . . 290 LEU HA . 50880 1 71 . 1 . 1 7 7 LEU HB2 H 1 1.664 0.000 . 2 . . . . . 290 LEU HB2 . 50880 1 72 . 1 . 1 7 7 LEU HB3 H 1 1.591 0.020 . 2 . . . . . 290 LEU HB3 . 50880 1 73 . 1 . 1 7 7 LEU HG H 1 1.571 0.000 . 1 . . . . . 290 LEU HG . 50880 1 74 . 1 . 1 7 7 LEU HD11 H 1 0.860 0.007 . 2 . . . . . 290 LEU HD11 . 50880 1 75 . 1 . 1 7 7 LEU HD12 H 1 0.860 0.007 . 2 . . . . . 290 LEU HD12 . 50880 1 76 . 1 . 1 7 7 LEU HD13 H 1 0.860 0.007 . 2 . . . . . 290 LEU HD13 . 50880 1 77 . 1 . 1 7 7 LEU HD21 H 1 0.924 0.000 . 2 . . . . . 290 LEU HD21 . 50880 1 78 . 1 . 1 7 7 LEU HD22 H 1 0.924 0.000 . 2 . . . . . 290 LEU HD22 . 50880 1 79 . 1 . 1 7 7 LEU HD23 H 1 0.924 0.000 . 2 . . . . . 290 LEU HD23 . 50880 1 80 . 1 . 1 7 7 LEU C C 13 177.481 0.004 . 1 . . . . . 290 LEU C . 50880 1 81 . 1 . 1 7 7 LEU CA C 13 55.322 0.064 . 1 . . . . . 290 LEU CA . 50880 1 82 . 1 . 1 7 7 LEU CB C 13 42.264 0.023 . 1 . . . . . 290 LEU CB . 50880 1 83 . 1 . 1 7 7 LEU CG C 13 26.932 0.000 . 1 . . . . . 290 LEU CG . 50880 1 84 . 1 . 1 7 7 LEU CD1 C 13 23.402 0.035 . 2 . . . . . 290 LEU CD1 . 50880 1 85 . 1 . 1 7 7 LEU CD2 C 13 24.753 0.000 . 2 . . . . . 290 LEU CD2 . 50880 1 86 . 1 . 1 7 7 LEU N N 15 123.382 0.029 . 1 . . . . . 290 LEU N . 50880 1 87 . 1 . 1 8 8 MET H H 1 8.323 0.002 . 1 . . . . . 291 MET H . 50880 1 88 . 1 . 1 8 8 MET HA H 1 4.439 0.004 . 1 . . . . . 291 MET HA . 50880 1 89 . 1 . 1 8 8 MET HB2 H 1 2.064 0.006 . 1 . . . . . 291 MET HB2 . 50880 1 90 . 1 . 1 8 8 MET HB3 H 1 2.064 0.006 . 1 . . . . . 291 MET HB3 . 50880 1 91 . 1 . 1 8 8 MET HG2 H 1 2.548 0.000 . 2 . . . . . 291 MET HG2 . 50880 1 92 . 1 . 1 8 8 MET HG3 H 1 2.631 0.000 . 2 . . . . . 291 MET HG3 . 50880 1 93 . 1 . 1 8 8 MET HE1 H 1 2.070 0.000 . 1 . . . . . 291 MET HE1 . 50880 1 94 . 1 . 1 8 8 MET HE2 H 1 2.070 0.000 . 1 . . . . . 291 MET HE2 . 50880 1 95 . 1 . 1 8 8 MET HE3 H 1 2.070 0.000 . 1 . . . . . 291 MET HE3 . 50880 1 96 . 1 . 1 8 8 MET C C 13 176.530 0.059 . 1 . . . . . 291 MET C . 50880 1 97 . 1 . 1 8 8 MET CA C 13 55.738 0.025 . 1 . . . . . 291 MET CA . 50880 1 98 . 1 . 1 8 8 MET CB C 13 32.904 0.096 . 1 . . . . . 291 MET CB . 50880 1 99 . 1 . 1 8 8 MET CG C 13 31.967 0.000 . 1 . . . . . 291 MET CG . 50880 1 100 . 1 . 1 8 8 MET N N 15 121.542 0.050 . 1 . . . . . 291 MET N . 50880 1 101 . 1 . 1 9 9 LYS H H 1 8.313 0.003 . 1 . . . . . 292 LYS H . 50880 1 102 . 1 . 1 9 9 LYS HA H 1 4.262 0.000 . 1 . . . . . 292 LYS HA . 50880 1 103 . 1 . 1 9 9 LYS HB2 H 1 1.807 0.000 . 1 . . . . . 292 LYS HB2 . 50880 1 104 . 1 . 1 9 9 LYS HB3 H 1 1.807 0.000 . 1 . . . . . 292 LYS HB3 . 50880 1 105 . 1 . 1 9 9 LYS HG2 H 1 1.418 0.000 . 2 . . . . . 292 LYS HG2 . 50880 1 106 . 1 . 1 9 9 LYS HG3 H 1 1.448 0.000 . 2 . . . . . 292 LYS HG3 . 50880 1 107 . 1 . 1 9 9 LYS HD2 H 1 1.683 0.000 . 1 . . . . . 292 LYS HD2 . 50880 1 108 . 1 . 1 9 9 LYS HD3 H 1 1.683 0.000 . 1 . . . . . 292 LYS HD3 . 50880 1 109 . 1 . 1 9 9 LYS HE2 H 1 2.991 0.000 . 1 . . . . . 292 LYS HE2 . 50880 1 110 . 1 . 1 9 9 LYS HE3 H 1 2.991 0.000 . 1 . . . . . 292 LYS HE3 . 50880 1 111 . 1 . 1 9 9 LYS C C 13 176.636 0.000 . 1 . . . . . 292 LYS C . 50880 1 112 . 1 . 1 9 9 LYS CA C 13 56.816 0.003 . 1 . . . . . 292 LYS CA . 50880 1 113 . 1 . 1 9 9 LYS CB C 13 32.850 0.000 . 1 . . . . . 292 LYS CB . 50880 1 114 . 1 . 1 9 9 LYS CG C 13 24.661 0.000 . 1 . . . . . 292 LYS CG . 50880 1 115 . 1 . 1 9 9 LYS CD C 13 28.882 0.000 . 1 . . . . . 292 LYS CD . 50880 1 116 . 1 . 1 9 9 LYS N N 15 122.325 0.069 . 1 . . . . . 292 LYS N . 50880 1 117 . 1 . 1 10 10 ASN H H 1 8.423 0.002 . 1 . . . . . 293 ASN H . 50880 1 118 . 1 . 1 10 10 ASN HA H 1 4.654 0.002 . 1 . . . . . 293 ASN HA . 50880 1 119 . 1 . 1 10 10 ASN HB2 H 1 2.838 0.000 . 1 . . . . . 293 ASN HB2 . 50880 1 120 . 1 . 1 10 10 ASN HB3 H 1 2.838 0.000 . 1 . . . . . 293 ASN HB3 . 50880 1 121 . 1 . 1 10 10 ASN HD21 H 1 6.955 0.000 . 1 . . . . . 293 ASN HD21 . 50880 1 122 . 1 . 1 10 10 ASN HD22 H 1 7.644 0.002 . 1 . . . . . 293 ASN HD22 . 50880 1 123 . 1 . 1 10 10 ASN C C 13 175.639 0.004 . 1 . . . . . 293 ASN C . 50880 1 124 . 1 . 1 10 10 ASN CA C 13 53.627 0.038 . 1 . . . . . 293 ASN CA . 50880 1 125 . 1 . 1 10 10 ASN CB C 13 38.613 0.016 . 1 . . . . . 293 ASN CB . 50880 1 126 . 1 . 1 10 10 ASN CG C 13 177.031 0.000 . 1 . . . . . 293 ASN CG . 50880 1 127 . 1 . 1 10 10 ASN N N 15 116.628 3.313 . 1 . . . . . 293 ASN N . 50880 1 128 . 1 . 1 11 11 ARG H H 1 8.341 0.004 . 1 . . . . . 294 ARG H . 50880 1 129 . 1 . 1 11 11 ARG HA H 1 4.261 0.000 . 1 . . . . . 294 ARG HA . 50880 1 130 . 1 . 1 11 11 ARG HB2 H 1 1.874 0.000 . 2 . . . . . 294 ARG HB2 . 50880 1 131 . 1 . 1 11 11 ARG HB3 H 1 1.884 0.010 . 2 . . . . . 294 ARG HB3 . 50880 1 132 . 1 . 1 11 11 ARG HG2 H 1 1.630 0.000 . 2 . . . . . 294 ARG HG2 . 50880 1 133 . 1 . 1 11 11 ARG HG3 H 1 1.672 0.000 . 2 . . . . . 294 ARG HG3 . 50880 1 134 . 1 . 1 11 11 ARG HD2 H 1 3.219 0.000 . 1 . . . . . 294 ARG HD2 . 50880 1 135 . 1 . 1 11 11 ARG HD3 H 1 3.219 0.000 . 1 . . . . . 294 ARG HD3 . 50880 1 136 . 1 . 1 11 11 ARG C C 13 176.856 0.009 . 1 . . . . . 294 ARG C . 50880 1 137 . 1 . 1 11 11 ARG CA C 13 56.983 0.000 . 1 . . . . . 294 ARG CA . 50880 1 138 . 1 . 1 11 11 ARG CB C 13 30.519 0.000 . 1 . . . . . 294 ARG CB . 50880 1 139 . 1 . 1 11 11 ARG CG C 13 26.960 0.000 . 1 . . . . . 294 ARG CG . 50880 1 140 . 1 . 1 11 11 ARG CD C 13 43.262 0.000 . 1 . . . . . 294 ARG CD . 50880 1 141 . 1 . 1 11 11 ARG N N 15 121.657 0.039 . 1 . . . . . 294 ARG N . 50880 1 142 . 1 . 1 12 12 GLU H H 1 8.400 0.002 . 1 . . . . . 295 GLU H . 50880 1 143 . 1 . 1 12 12 GLU HA H 1 4.221 0.000 . 1 . . . . . 295 GLU HA . 50880 1 144 . 1 . 1 12 12 GLU HB2 H 1 2.056 0.003 . 2 . . . . . 295 GLU HB2 . 50880 1 145 . 1 . 1 12 12 GLU HB3 H 1 1.998 0.001 . 2 . . . . . 295 GLU HB3 . 50880 1 146 . 1 . 1 12 12 GLU HG2 H 1 2.288 0.000 . 1 . . . . . 295 GLU HG2 . 50880 1 147 . 1 . 1 12 12 GLU HG3 H 1 2.288 0.000 . 1 . . . . . 295 GLU HG3 . 50880 1 148 . 1 . 1 12 12 GLU C C 13 176.811 0.009 . 1 . . . . . 295 GLU C . 50880 1 149 . 1 . 1 12 12 GLU CA C 13 57.181 0.000 . 1 . . . . . 295 GLU CA . 50880 1 150 . 1 . 1 12 12 GLU CB C 13 29.910 0.000 . 1 . . . . . 295 GLU CB . 50880 1 151 . 1 . 1 12 12 GLU CG C 13 36.334 0.098 . 1 . . . . . 295 GLU CG . 50880 1 152 . 1 . 1 12 12 GLU N N 15 121.630 0.015 . 1 . . . . . 295 GLU N . 50880 1 153 . 1 . 1 13 13 ALA H H 1 8.248 0.001 . 1 . . . . . 296 ALA H . 50880 1 154 . 1 . 1 13 13 ALA HA H 1 4.251 0.002 . 1 . . . . . 296 ALA HA . 50880 1 155 . 1 . 1 13 13 ALA HB1 H 1 1.411 0.000 . 1 . . . . . 296 ALA HB1 . 50880 1 156 . 1 . 1 13 13 ALA HB2 H 1 1.411 0.000 . 1 . . . . . 296 ALA HB2 . 50880 1 157 . 1 . 1 13 13 ALA HB3 H 1 1.411 0.000 . 1 . . . . . 296 ALA HB3 . 50880 1 158 . 1 . 1 13 13 ALA C C 13 178.219 0.001 . 1 . . . . . 296 ALA C . 50880 1 159 . 1 . 1 13 13 ALA CA C 13 53.083 0.013 . 1 . . . . . 296 ALA CA . 50880 1 160 . 1 . 1 13 13 ALA CB C 13 18.895 0.014 . 1 . . . . . 296 ALA CB . 50880 1 161 . 1 . 1 13 13 ALA N N 15 124.692 0.089 . 1 . . . . . 296 ALA N . 50880 1 162 . 1 . 1 14 14 ALA H H 1 8.187 0.002 . 1 . . . . . 297 ALA H . 50880 1 163 . 1 . 1 14 14 ALA HA H 1 4.254 0.007 . 1 . . . . . 297 ALA HA . 50880 1 164 . 1 . 1 14 14 ALA HB1 H 1 1.418 0.000 . 1 . . . . . 297 ALA HB1 . 50880 1 165 . 1 . 1 14 14 ALA HB2 H 1 1.418 0.000 . 1 . . . . . 297 ALA HB2 . 50880 1 166 . 1 . 1 14 14 ALA HB3 H 1 1.418 0.000 . 1 . . . . . 297 ALA HB3 . 50880 1 167 . 1 . 1 14 14 ALA C C 13 178.394 0.019 . 1 . . . . . 297 ALA C . 50880 1 168 . 1 . 1 14 14 ALA CA C 13 53.077 0.016 . 1 . . . . . 297 ALA CA . 50880 1 169 . 1 . 1 14 14 ALA CB C 13 18.855 0.054 . 1 . . . . . 297 ALA CB . 50880 1 170 . 1 . 1 14 14 ALA N N 15 122.686 0.111 . 1 . . . . . 297 ALA N . 50880 1 171 . 1 . 1 15 15 ARG H H 1 8.176 0.002 . 1 . . . . . 298 ARG H . 50880 1 172 . 1 . 1 15 15 ARG HA H 1 4.228 0.000 . 1 . . . . . 298 ARG HA . 50880 1 173 . 1 . 1 15 15 ARG HB2 H 1 1.862 0.000 . 1 . . . . . 298 ARG HB2 . 50880 1 174 . 1 . 1 15 15 ARG HB3 H 1 1.862 0.000 . 1 . . . . . 298 ARG HB3 . 50880 1 175 . 1 . 1 15 15 ARG HG2 H 1 1.631 0.000 . 2 . . . . . 298 ARG HG2 . 50880 1 176 . 1 . 1 15 15 ARG HG3 H 1 1.706 0.000 . 2 . . . . . 298 ARG HG3 . 50880 1 177 . 1 . 1 15 15 ARG HD2 H 1 3.208 0.009 . 1 . . . . . 298 ARG HD2 . 50880 1 178 . 1 . 1 15 15 ARG HD3 H 1 3.208 0.009 . 1 . . . . . 298 ARG HD3 . 50880 1 179 . 1 . 1 15 15 ARG C C 13 177.113 0.007 . 1 . . . . . 298 ARG C . 50880 1 180 . 1 . 1 15 15 ARG CA C 13 57.032 0.022 . 1 . . . . . 298 ARG CA . 50880 1 181 . 1 . 1 15 15 ARG CB C 13 30.615 0.000 . 1 . . . . . 298 ARG CB . 50880 1 182 . 1 . 1 15 15 ARG CG C 13 26.938 0.000 . 1 . . . . . 298 ARG CG . 50880 1 183 . 1 . 1 15 15 ARG CD C 13 43.431 0.041 . 1 . . . . . 298 ARG CD . 50880 1 184 . 1 . 1 15 15 ARG N N 15 119.959 0.072 . 1 . . . . . 298 ARG N . 50880 1 185 . 1 . 1 16 16 GLU H H 1 8.370 0.002 . 1 . . . . . 299 GLU H . 50880 1 186 . 1 . 1 16 16 GLU HA H 1 4.265 0.000 . 1 . . . . . 299 GLU HA . 50880 1 187 . 1 . 1 16 16 GLU HB2 H 1 2.038 0.000 . 1 . . . . . 299 GLU HB2 . 50880 1 188 . 1 . 1 16 16 GLU HB3 H 1 2.038 0.000 . 1 . . . . . 299 GLU HB3 . 50880 1 189 . 1 . 1 16 16 GLU HG2 H 1 2.284 0.004 . 1 . . . . . 299 GLU HG2 . 50880 1 190 . 1 . 1 16 16 GLU HG3 H 1 2.284 0.004 . 1 . . . . . 299 GLU HG3 . 50880 1 191 . 1 . 1 16 16 GLU C C 13 177.026 0.008 . 1 . . . . . 299 GLU C . 50880 1 192 . 1 . 1 16 16 GLU CA C 13 57.138 0.008 . 1 . . . . . 299 GLU CA . 50880 1 193 . 1 . 1 16 16 GLU CB C 13 30.009 0.031 . 1 . . . . . 299 GLU CB . 50880 1 194 . 1 . 1 16 16 GLU CG C 13 36.069 0.000 . 1 . . . . . 299 GLU CG . 50880 1 195 . 1 . 1 16 16 GLU N N 15 121.294 0.076 . 1 . . . . . 299 GLU N . 50880 1 196 . 1 . 1 17 17 SER H H 1 8.304 0.003 . 1 . . . . . 300 SER H . 50880 1 197 . 1 . 1 17 17 SER HA H 1 4.389 0.006 . 1 . . . . . 300 SER HA . 50880 1 198 . 1 . 1 17 17 SER HB2 H 1 3.911 0.013 . 1 . . . . . 300 SER HB2 . 50880 1 199 . 1 . 1 17 17 SER HB3 H 1 3.911 0.013 . 1 . . . . . 300 SER HB3 . 50880 1 200 . 1 . 1 17 17 SER C C 13 175.104 0.000 . 1 . . . . . 300 SER C . 50880 1 201 . 1 . 1 17 17 SER CA C 13 59.095 0.004 . 1 . . . . . 300 SER CA . 50880 1 202 . 1 . 1 17 17 SER CB C 13 63.658 0.066 . 1 . . . . . 300 SER CB . 50880 1 203 . 1 . 1 17 17 SER N N 15 116.718 0.090 . 1 . . . . . 300 SER N . 50880 1 204 . 1 . 1 18 18 ARG H H 1 8.215 0.009 . 1 . . . . . 301 ARG H . 50880 1 205 . 1 . 1 18 18 ARG HA H 1 4.288 0.000 . 1 . . . . . 301 ARG HA . 50880 1 206 . 1 . 1 18 18 ARG HB2 H 1 1.843 0.000 . 2 . . . . . 301 ARG HB2 . 50880 1 207 . 1 . 1 18 18 ARG HB3 H 1 1.789 0.000 . 2 . . . . . 301 ARG HB3 . 50880 1 208 . 1 . 1 18 18 ARG HG2 H 1 1.632 0.000 . 1 . . . . . 301 ARG HG2 . 50880 1 209 . 1 . 1 18 18 ARG HG3 H 1 1.632 0.000 . 1 . . . . . 301 ARG HG3 . 50880 1 210 . 1 . 1 18 18 ARG HD2 H 1 3.203 0.000 . 1 . . . . . 301 ARG HD2 . 50880 1 211 . 1 . 1 18 18 ARG HD3 H 1 3.203 0.000 . 1 . . . . . 301 ARG HD3 . 50880 1 212 . 1 . 1 18 18 ARG C C 13 176.521 0.000 . 1 . . . . . 301 ARG C . 50880 1 213 . 1 . 1 18 18 ARG CA C 13 56.720 0.000 . 1 . . . . . 301 ARG CA . 50880 1 214 . 1 . 1 18 18 ARG CB C 13 30.763 0.000 . 1 . . . . . 301 ARG CB . 50880 1 215 . 1 . 1 18 18 ARG CG C 13 27.001 0.000 . 1 . . . . . 301 ARG CG . 50880 1 216 . 1 . 1 18 18 ARG CD C 13 43.243 0.000 . 1 . . . . . 301 ARG CD . 50880 1 217 . 1 . 1 18 18 ARG N N 15 122.510 0.078 . 1 . . . . . 301 ARG N . 50880 1 218 . 1 . 1 19 19 ARG H H 1 8.265 0.001 . 1 . . . . . 302 ARG H . 50880 1 219 . 1 . 1 19 19 ARG HA H 1 4.306 0.000 . 1 . . . . . 302 ARG HA . 50880 1 220 . 1 . 1 19 19 ARG HB2 H 1 1.890 0.000 . 2 . . . . . 302 ARG HB2 . 50880 1 221 . 1 . 1 19 19 ARG HB3 H 1 1.811 0.000 . 2 . . . . . 302 ARG HB3 . 50880 1 222 . 1 . 1 19 19 ARG HG2 H 1 1.636 0.000 . 2 . . . . . 302 ARG HG2 . 50880 1 223 . 1 . 1 19 19 ARG HG3 H 1 1.674 0.000 . 2 . . . . . 302 ARG HG3 . 50880 1 224 . 1 . 1 19 19 ARG HD2 H 1 3.209 0.000 . 1 . . . . . 302 ARG HD2 . 50880 1 225 . 1 . 1 19 19 ARG HD3 H 1 3.209 0.000 . 1 . . . . . 302 ARG HD3 . 50880 1 226 . 1 . 1 19 19 ARG C C 13 176.638 0.000 . 1 . . . . . 302 ARG C . 50880 1 227 . 1 . 1 19 19 ARG CA C 13 56.603 0.000 . 1 . . . . . 302 ARG CA . 50880 1 228 . 1 . 1 19 19 ARG CB C 13 30.493 0.000 . 1 . . . . . 302 ARG CB . 50880 1 229 . 1 . 1 19 19 ARG CG C 13 27.057 0.000 . 1 . . . . . 302 ARG CG . 50880 1 230 . 1 . 1 19 19 ARG CD C 13 43.258 0.000 . 1 . . . . . 302 ARG CD . 50880 1 231 . 1 . 1 19 19 ARG N N 15 122.441 0.000 . 1 . . . . . 302 ARG N . 50880 1 232 . 1 . 1 20 20 LYS H H 1 8.143 0.001 . 1 . . . . . 303 LYS H . 50880 1 233 . 1 . 1 20 20 LYS HA H 1 4.264 0.000 . 1 . . . . . 303 LYS HA . 50880 1 234 . 1 . 1 20 20 LYS HB2 H 1 1.846 0.000 . 2 . . . . . 303 LYS HB2 . 50880 1 235 . 1 . 1 20 20 LYS HB3 H 1 1.775 0.000 . 2 . . . . . 303 LYS HB3 . 50880 1 236 . 1 . 1 20 20 LYS HG2 H 1 1.469 0.000 . 2 . . . . . 303 LYS HG2 . 50880 1 237 . 1 . 1 20 20 LYS HG3 H 1 1.412 0.000 . 2 . . . . . 303 LYS HG3 . 50880 1 238 . 1 . 1 20 20 LYS HD2 H 1 1.682 0.000 . 1 . . . . . 303 LYS HD2 . 50880 1 239 . 1 . 1 20 20 LYS HD3 H 1 1.682 0.000 . 1 . . . . . 303 LYS HD3 . 50880 1 240 . 1 . 1 20 20 LYS HE2 H 1 2.988 0.011 . 1 . . . . . 303 LYS HE2 . 50880 1 241 . 1 . 1 20 20 LYS HE3 H 1 2.988 0.011 . 1 . . . . . 303 LYS HE3 . 50880 1 242 . 1 . 1 20 20 LYS C C 13 176.715 0.002 . 1 . . . . . 303 LYS C . 50880 1 243 . 1 . 1 20 20 LYS CA C 13 56.562 0.065 . 1 . . . . . 303 LYS CA . 50880 1 244 . 1 . 1 20 20 LYS CB C 13 33.013 0.000 . 1 . . . . . 303 LYS CB . 50880 1 245 . 1 . 1 20 20 LYS CG C 13 24.759 0.000 . 1 . . . . . 303 LYS CG . 50880 1 246 . 1 . 1 20 20 LYS CD C 13 28.927 0.000 . 1 . . . . . 303 LYS CD . 50880 1 247 . 1 . 1 20 20 LYS CE C 13 42.200 0.002 . 1 . . . . . 303 LYS CE . 50880 1 248 . 1 . 1 20 20 LYS N N 15 121.500 0.005 . 1 . . . . . 303 LYS N . 50880 1 249 . 1 . 1 21 21 LYS H H 1 8.251 0.002 . 1 . . . . . 304 LYS H . 50880 1 250 . 1 . 1 21 21 LYS HA H 1 4.261 0.000 . 1 . . . . . 304 LYS HA . 50880 1 251 . 1 . 1 21 21 LYS HB2 H 1 1.818 0.011 . 2 . . . . . 304 LYS HB2 . 50880 1 252 . 1 . 1 21 21 LYS HB3 H 1 1.800 0.017 . 2 . . . . . 304 LYS HB3 . 50880 1 253 . 1 . 1 21 21 LYS HG2 H 1 1.413 0.000 . 2 . . . . . 304 LYS HG2 . 50880 1 254 . 1 . 1 21 21 LYS HG3 H 1 1.459 0.000 . 2 . . . . . 304 LYS HG3 . 50880 1 255 . 1 . 1 21 21 LYS HD2 H 1 1.688 0.000 . 1 . . . . . 304 LYS HD2 . 50880 1 256 . 1 . 1 21 21 LYS HD3 H 1 1.688 0.000 . 1 . . . . . 304 LYS HD3 . 50880 1 257 . 1 . 1 21 21 LYS HE2 H 1 2.994 0.000 . 1 . . . . . 304 LYS HE2 . 50880 1 258 . 1 . 1 21 21 LYS HE3 H 1 2.994 0.000 . 1 . . . . . 304 LYS HE3 . 50880 1 259 . 1 . 1 21 21 LYS C C 13 176.607 0.007 . 1 . . . . . 304 LYS C . 50880 1 260 . 1 . 1 21 21 LYS CA C 13 56.655 0.021 . 1 . . . . . 304 LYS CA . 50880 1 261 . 1 . 1 21 21 LYS CB C 13 33.054 0.016 . 1 . . . . . 304 LYS CB . 50880 1 262 . 1 . 1 21 21 LYS CG C 13 24.693 0.000 . 1 . . . . . 304 LYS CG . 50880 1 263 . 1 . 1 21 21 LYS CD C 13 28.974 0.000 . 1 . . . . . 304 LYS CD . 50880 1 264 . 1 . 1 21 21 LYS N N 15 122.882 0.044 . 1 . . . . . 304 LYS N . 50880 1 265 . 1 . 1 22 22 LYS H H 1 8.319 0.001 . 1 . . . . . 305 LYS H . 50880 1 266 . 1 . 1 22 22 LYS HA H 1 4.223 0.000 . 1 . . . . . 305 LYS HA . 50880 1 267 . 1 . 1 22 22 LYS HB2 H 1 1.744 0.000 . 1 . . . . . 305 LYS HB2 . 50880 1 268 . 1 . 1 22 22 LYS HB3 H 1 1.744 0.000 . 1 . . . . . 305 LYS HB3 . 50880 1 269 . 1 . 1 22 22 LYS HG2 H 1 1.377 0.000 . 2 . . . . . 305 LYS HG2 . 50880 1 270 . 1 . 1 22 22 LYS HG3 H 1 1.405 0.000 . 2 . . . . . 305 LYS HG3 . 50880 1 271 . 1 . 1 22 22 LYS HD2 H 1 1.685 0.000 . 1 . . . . . 305 LYS HD2 . 50880 1 272 . 1 . 1 22 22 LYS HD3 H 1 1.685 0.000 . 1 . . . . . 305 LYS HD3 . 50880 1 273 . 1 . 1 22 22 LYS HE2 H 1 2.978 0.002 . 1 . . . . . 305 LYS HE2 . 50880 1 274 . 1 . 1 22 22 LYS HE3 H 1 2.978 0.002 . 1 . . . . . 305 LYS HE3 . 50880 1 275 . 1 . 1 22 22 LYS C C 13 176.432 0.018 . 1 . . . . . 305 LYS C . 50880 1 276 . 1 . 1 22 22 LYS CA C 13 56.739 0.017 . 1 . . . . . 305 LYS CA . 50880 1 277 . 1 . 1 22 22 LYS CB C 13 32.842 0.000 . 1 . . . . . 305 LYS CB . 50880 1 278 . 1 . 1 22 22 LYS CG C 13 24.663 0.000 . 1 . . . . . 305 LYS CG . 50880 1 279 . 1 . 1 22 22 LYS CD C 13 28.913 0.000 . 1 . . . . . 305 LYS CD . 50880 1 280 . 1 . 1 22 22 LYS CE C 13 42.116 0.086 . 1 . . . . . 305 LYS CE . 50880 1 281 . 1 . 1 22 22 LYS N N 15 122.888 0.021 . 1 . . . . . 305 LYS N . 50880 1 282 . 1 . 1 23 23 GLU H H 1 8.367 0.001 . 1 . . . . . 306 GLU H . 50880 1 283 . 1 . 1 23 23 GLU HA H 1 4.260 0.000 . 1 . . . . . 306 GLU HA . 50880 1 284 . 1 . 1 23 23 GLU HB2 H 1 1.965 0.000 . 2 . . . . . 306 GLU HB2 . 50880 1 285 . 1 . 1 23 23 GLU HB3 H 1 1.882 0.000 . 2 . . . . . 306 GLU HB3 . 50880 1 286 . 1 . 1 23 23 GLU HG2 H 1 2.194 0.017 . 1 . . . . . 306 GLU HG2 . 50880 1 287 . 1 . 1 23 23 GLU HG3 H 1 2.194 0.017 . 1 . . . . . 306 GLU HG3 . 50880 1 288 . 1 . 1 23 23 GLU C C 13 176.053 0.000 . 1 . . . . . 306 GLU C . 50880 1 289 . 1 . 1 23 23 GLU CA C 13 56.539 0.003 . 1 . . . . . 306 GLU CA . 50880 1 290 . 1 . 1 23 23 GLU CB C 13 30.488 0.040 . 1 . . . . . 306 GLU CB . 50880 1 291 . 1 . 1 23 23 GLU CG C 13 36.092 0.000 . 1 . . . . . 306 GLU CG . 50880 1 292 . 1 . 1 23 23 GLU N N 15 122.049 0.039 . 1 . . . . . 306 GLU N . 50880 1 293 . 1 . 1 24 24 TYR H H 1 8.266 0.002 . 1 . . . . . 307 TYR H . 50880 1 294 . 1 . 1 24 24 TYR HA H 1 4.555 0.008 . 1 . . . . . 307 TYR HA . 50880 1 295 . 1 . 1 24 24 TYR HB2 H 1 2.999 0.003 . 2 . . . . . 307 TYR HB2 . 50880 1 296 . 1 . 1 24 24 TYR HB3 H 1 3.001 0.004 . 2 . . . . . 307 TYR HB3 . 50880 1 297 . 1 . 1 24 24 TYR C C 13 175.617 0.013 . 1 . . . . . 307 TYR C . 50880 1 298 . 1 . 1 24 24 TYR CA C 13 58.128 0.019 . 1 . . . . . 307 TYR CA . 50880 1 299 . 1 . 1 24 24 TYR CB C 13 38.716 0.087 . 1 . . . . . 307 TYR CB . 50880 1 300 . 1 . 1 24 24 TYR N N 15 121.961 0.052 . 1 . . . . . 307 TYR N . 50880 1 301 . 1 . 1 25 25 VAL H H 1 7.994 0.003 . 1 . . . . . 308 VAL H . 50880 1 302 . 1 . 1 25 25 VAL HA H 1 3.981 0.003 . 1 . . . . . 308 VAL HA . 50880 1 303 . 1 . 1 25 25 VAL HB H 1 1.995 0.000 . 1 . . . . . 308 VAL HB . 50880 1 304 . 1 . 1 25 25 VAL HG11 H 1 0.924 0.024 . 1 . . . . . 308 VAL HG11 . 50880 1 305 . 1 . 1 25 25 VAL HG12 H 1 0.924 0.024 . 1 . . . . . 308 VAL HG12 . 50880 1 306 . 1 . 1 25 25 VAL HG13 H 1 0.924 0.024 . 1 . . . . . 308 VAL HG13 . 50880 1 307 . 1 . 1 25 25 VAL HG21 H 1 0.924 0.024 . 1 . . . . . 308 VAL HG21 . 50880 1 308 . 1 . 1 25 25 VAL HG22 H 1 0.924 0.024 . 1 . . . . . 308 VAL HG22 . 50880 1 309 . 1 . 1 25 25 VAL HG23 H 1 0.924 0.024 . 1 . . . . . 308 VAL HG23 . 50880 1 310 . 1 . 1 25 25 VAL C C 13 175.821 0.006 . 1 . . . . . 308 VAL C . 50880 1 311 . 1 . 1 25 25 VAL CA C 13 62.370 0.014 . 1 . . . . . 308 VAL CA . 50880 1 312 . 1 . 1 25 25 VAL CB C 13 32.848 0.000 . 1 . . . . . 308 VAL CB . 50880 1 313 . 1 . 1 25 25 VAL CG1 C 13 20.948 0.098 . 1 . . . . . 308 VAL CG1 . 50880 1 314 . 1 . 1 25 25 VAL CG2 C 13 20.948 0.098 . 1 . . . . . 308 VAL CG2 . 50880 1 315 . 1 . 1 25 25 VAL N N 15 123.196 0.118 . 1 . . . . . 308 VAL N . 50880 1 316 . 1 . 1 26 26 LYS H H 1 8.302 0.002 . 1 . . . . . 309 LYS H . 50880 1 317 . 1 . 1 26 26 LYS HA H 1 4.224 0.000 . 1 . . . . . 309 LYS HA . 50880 1 318 . 1 . 1 26 26 LYS HB2 H 1 1.791 0.000 . 1 . . . . . 309 LYS HB2 . 50880 1 319 . 1 . 1 26 26 LYS HB3 H 1 1.791 0.000 . 1 . . . . . 309 LYS HB3 . 50880 1 320 . 1 . 1 26 26 LYS HG2 H 1 1.449 0.000 . 1 . . . . . 309 LYS HG2 . 50880 1 321 . 1 . 1 26 26 LYS HG3 H 1 1.449 0.000 . 1 . . . . . 309 LYS HG3 . 50880 1 322 . 1 . 1 26 26 LYS HD2 H 1 1.769 0.000 . 1 . . . . . 309 LYS HD2 . 50880 1 323 . 1 . 1 26 26 LYS HD3 H 1 1.769 0.000 . 1 . . . . . 309 LYS HD3 . 50880 1 324 . 1 . 1 26 26 LYS HE2 H 1 3.002 0.000 . 1 . . . . . 309 LYS HE2 . 50880 1 325 . 1 . 1 26 26 LYS HE3 H 1 3.002 0.000 . 1 . . . . . 309 LYS HE3 . 50880 1 326 . 1 . 1 26 26 LYS C C 13 176.650 0.005 . 1 . . . . . 309 LYS C . 50880 1 327 . 1 . 1 26 26 LYS CA C 13 56.778 0.005 . 1 . . . . . 309 LYS CA . 50880 1 328 . 1 . 1 26 26 LYS CB C 13 32.882 0.000 . 1 . . . . . 309 LYS CB . 50880 1 329 . 1 . 1 26 26 LYS CG C 13 24.670 0.000 . 1 . . . . . 309 LYS CG . 50880 1 330 . 1 . 1 26 26 LYS CD C 13 28.942 0.000 . 1 . . . . . 309 LYS CD . 50880 1 331 . 1 . 1 26 26 LYS CE C 13 41.948 0.000 . 1 . . . . . 309 LYS CE . 50880 1 332 . 1 . 1 26 26 LYS N N 15 125.513 0.058 . 1 . . . . . 309 LYS N . 50880 1 333 . 1 . 1 27 27 SER H H 1 8.273 0.002 . 1 . . . . . 310 SER H . 50880 1 334 . 1 . 1 27 27 SER HA H 1 4.405 0.005 . 1 . . . . . 310 SER HA . 50880 1 335 . 1 . 1 27 27 SER HB2 H 1 3.888 0.004 . 1 . . . . . 310 SER HB2 . 50880 1 336 . 1 . 1 27 27 SER HB3 H 1 3.888 0.004 . 1 . . . . . 310 SER HB3 . 50880 1 337 . 1 . 1 27 27 SER C C 13 174.668 0.000 . 1 . . . . . 310 SER C . 50880 1 338 . 1 . 1 27 27 SER CA C 13 58.439 0.015 . 1 . . . . . 310 SER CA . 50880 1 339 . 1 . 1 27 27 SER CB C 13 63.734 0.010 . 1 . . . . . 310 SER CB . 50880 1 340 . 1 . 1 27 27 SER N N 15 117.275 0.021 . 1 . . . . . 310 SER N . 50880 1 341 . 1 . 1 28 28 LEU H H 1 8.279 0.002 . 1 . . . . . 311 LEU H . 50880 1 342 . 1 . 1 28 28 LEU HA H 1 4.323 0.008 . 1 . . . . . 311 LEU HA . 50880 1 343 . 1 . 1 28 28 LEU HB2 H 1 1.652 0.022 . 1 . . . . . 311 LEU HB2 . 50880 1 344 . 1 . 1 28 28 LEU HB3 H 1 1.652 0.022 . 1 . . . . . 311 LEU HB3 . 50880 1 345 . 1 . 1 28 28 LEU HG H 1 1.622 0.000 . 1 . . . . . 311 LEU HG . 50880 1 346 . 1 . 1 28 28 LEU HD11 H 1 0.855 0.002 . 2 . . . . . 311 LEU HD11 . 50880 1 347 . 1 . 1 28 28 LEU HD12 H 1 0.855 0.002 . 2 . . . . . 311 LEU HD12 . 50880 1 348 . 1 . 1 28 28 LEU HD13 H 1 0.855 0.002 . 2 . . . . . 311 LEU HD13 . 50880 1 349 . 1 . 1 28 28 LEU HD21 H 1 0.913 0.000 . 2 . . . . . 311 LEU HD21 . 50880 1 350 . 1 . 1 28 28 LEU HD22 H 1 0.913 0.000 . 2 . . . . . 311 LEU HD22 . 50880 1 351 . 1 . 1 28 28 LEU HD23 H 1 0.913 0.000 . 2 . . . . . 311 LEU HD23 . 50880 1 352 . 1 . 1 28 28 LEU C C 13 177.513 0.001 . 1 . . . . . 311 LEU C . 50880 1 353 . 1 . 1 28 28 LEU CA C 13 55.529 0.020 . 1 . . . . . 311 LEU CA . 50880 1 354 . 1 . 1 28 28 LEU CB C 13 42.151 0.022 . 1 . . . . . 311 LEU CB . 50880 1 355 . 1 . 1 28 28 LEU CG C 13 26.828 0.000 . 1 . . . . . 311 LEU CG . 50880 1 356 . 1 . 1 28 28 LEU CD1 C 13 23.372 0.065 . 2 . . . . . 311 LEU CD1 . 50880 1 357 . 1 . 1 28 28 LEU CD2 C 13 24.756 0.000 . 2 . . . . . 311 LEU CD2 . 50880 1 358 . 1 . 1 28 28 LEU N N 15 124.206 0.033 . 1 . . . . . 311 LEU N . 50880 1 359 . 1 . 1 29 29 GLU H H 1 8.276 0.002 . 1 . . . . . 312 GLU H . 50880 1 360 . 1 . 1 29 29 GLU HA H 1 4.226 0.000 . 1 . . . . . 312 GLU HA . 50880 1 361 . 1 . 1 29 29 GLU HB2 H 1 1.922 0.000 . 2 . . . . . 312 GLU HB2 . 50880 1 362 . 1 . 1 29 29 GLU HB3 H 1 2.030 0.000 . 2 . . . . . 312 GLU HB3 . 50880 1 363 . 1 . 1 29 29 GLU HG2 H 1 2.248 0.000 . 1 . . . . . 312 GLU HG2 . 50880 1 364 . 1 . 1 29 29 GLU HG3 H 1 2.248 0.000 . 1 . . . . . 312 GLU HG3 . 50880 1 365 . 1 . 1 29 29 GLU C C 13 176.107 0.001 . 1 . . . . . 312 GLU C . 50880 1 366 . 1 . 1 29 29 GLU CA C 13 56.769 0.004 . 1 . . . . . 312 GLU CA . 50880 1 367 . 1 . 1 29 29 GLU CB C 13 30.195 0.005 . 1 . . . . . 312 GLU CB . 50880 1 368 . 1 . 1 29 29 GLU CG C 13 36.120 0.000 . 1 . . . . . 312 GLU CG . 50880 1 369 . 1 . 1 29 29 GLU N N 15 120.492 0.075 . 1 . . . . . 312 GLU N . 50880 1 370 . 1 . 1 30 30 ASN H H 1 8.358 0.002 . 1 . . . . . 313 ASN H . 50880 1 371 . 1 . 1 30 30 ASN HA H 1 4.699 0.003 . 1 . . . . . 313 ASN HA . 50880 1 372 . 1 . 1 30 30 ASN HB2 H 1 2.819 0.009 . 2 . . . . . 313 ASN HB2 . 50880 1 373 . 1 . 1 30 30 ASN HB3 H 1 2.728 0.003 . 2 . . . . . 313 ASN HB3 . 50880 1 374 . 1 . 1 30 30 ASN HD21 H 1 7.595 0.001 . 1 . . . . . 313 ASN HD21 . 50880 1 375 . 1 . 1 30 30 ASN HD22 H 1 6.893 0.006 . 1 . . . . . 313 ASN HD22 . 50880 1 376 . 1 . 1 30 30 ASN C C 13 174.711 0.001 . 1 . . . . . 313 ASN C . 50880 1 377 . 1 . 1 30 30 ASN CA C 13 53.224 0.025 . 1 . . . . . 313 ASN CA . 50880 1 378 . 1 . 1 30 30 ASN CB C 13 38.831 0.050 . 1 . . . . . 313 ASN CB . 50880 1 379 . 1 . 1 30 30 ASN CG C 13 176.808 0.000 . 1 . . . . . 313 ASN CG . 50880 1 380 . 1 . 1 30 30 ASN N N 15 116.452 3.250 . 1 . . . . . 313 ASN N . 50880 1 381 . 1 . 1 31 31 ARG H H 1 8.222 0.003 . 1 . . . . . 314 ARG H . 50880 1 382 . 1 . 1 31 31 ARG HA H 1 4.392 0.007 . 1 . . . . . 314 ARG HA . 50880 1 383 . 1 . 1 31 31 ARG HB2 H 1 1.882 0.000 . 2 . . . . . 314 ARG HB2 . 50880 1 384 . 1 . 1 31 31 ARG HB3 H 1 1.768 0.000 . 2 . . . . . 314 ARG HB3 . 50880 1 385 . 1 . 1 31 31 ARG HG2 H 1 1.621 0.000 . 1 . . . . . 314 ARG HG2 . 50880 1 386 . 1 . 1 31 31 ARG HG3 H 1 1.621 0.000 . 1 . . . . . 314 ARG HG3 . 50880 1 387 . 1 . 1 31 31 ARG HD2 H 1 3.198 0.001 . 1 . . . . . 314 ARG HD2 . 50880 1 388 . 1 . 1 31 31 ARG HD3 H 1 3.198 0.001 . 1 . . . . . 314 ARG HD3 . 50880 1 389 . 1 . 1 31 31 ARG C C 13 175.342 0.008 . 1 . . . . . 314 ARG C . 50880 1 390 . 1 . 1 31 31 ARG CA C 13 56.245 0.007 . 1 . . . . . 314 ARG CA . 50880 1 391 . 1 . 1 31 31 ARG CB C 13 30.840 0.000 . 1 . . . . . 314 ARG CB . 50880 1 392 . 1 . 1 31 31 ARG CG C 13 26.914 0.000 . 1 . . . . . 314 ARG CG . 50880 1 393 . 1 . 1 31 31 ARG CD C 13 43.380 0.092 . 1 . . . . . 314 ARG CD . 50880 1 394 . 1 . 1 31 31 ARG N N 15 122.098 0.034 . 1 . . . . . 314 ARG N . 50880 1 395 . 1 . 1 32 32 VAL H H 1 7.755 0.007 . 1 . . . . . 315 VAL H . 50880 1 396 . 1 . 1 32 32 VAL HA H 1 4.032 0.000 . 1 . . . . . 315 VAL HA . 50880 1 397 . 1 . 1 32 32 VAL C C 13 181.030 0.000 . 1 . . . . . 315 VAL C . 50880 1 398 . 1 . 1 32 32 VAL CA C 13 63.638 0.046 . 1 . . . . . 315 VAL CA . 50880 1 399 . 1 . 1 32 32 VAL N N 15 125.283 0.078 . 1 . . . . . 315 VAL N . 50880 1 stop_ save_