data_50873 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50873 _Entry.Title ; Structural description of DNA target search by a disordered transcription factor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-04-07 _Entry.Accession_date 2021-04-07 _Entry.Last_release_date 2021-04-07 _Entry.Original_release_date 2021-04-07 _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 'CREB 285-339 with CRE DNA' _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 50873 2 Christina Redfield . . . 0000-0001-7297-7708 50873 3 Sarah Shammas . . . . 50873 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50873 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 197 50873 '15N chemical shifts' 57 50873 '1H chemical shifts' 231 50873 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 . 50873 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' 50873 BMRB 50874 'CREB 285-339 nCRE 35C' 50873 BMRB 50875 'CREB 285-339 non-CRE 25C' 50873 BMRB 50876 'CREB 277-339 apo' 50873 BMRB 50877 'CREB 277-339 with CRE DNA' 50873 BMRB 50878 'CREB 277-339 with non-CRE DNA non-symmetric' 50873 BMRB 50879 'CREB 277-339 nonCRE symmetric (p1)' 50873 BMRB 50880 'CREB 285-315 apo' 50873 BMRB 50881 'CREB 285-315 with CRE DNA 35C' 50873 BMRB 50882 'CREB 285-315 with nonCRE DNA' 50873 BMRB 50884 'CREB 277-315 apo' 50873 BMRB 50885 'CREB 277-315 with nCRE' 50873 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50873 _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. . . 50873 1 2 Mikhail Kuravsky . . . . 50873 1 3 Christina Redfield . . . . 50873 1 4 Sarah Shammas . . . . 50873 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CREB 50873 1 DNA 50873 1 bzip 50873 1 'leucine zipper' 50873 1 transcription 50873 1 'transcription factor' 50873 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50873 _Assembly.ID 1 _Assembly.Name 'CREB 285-339 dimer with CRE DNA' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 1 _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 24000 _Assembly.Enzyme_commission_number . _Assembly.Details ; CREB 285-339 exists in solution as a dimer composed of two identical chains with residues 285-339, associated to the symmetric CRE DNA. ; _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 285-339, chain 1' 1 $entity_1 . . yes native no no . . . 50873 1 2 'CREB 285-339, chain 2' 1 $entity_1 . . yes native no no . . . 50873 1 3 'CRE DNA' 2 $entity_2 . . no native no no . . . 50873 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50873 _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 KKEYVKSLENRVAVLENQNK TLIEELKALKDLYSHK ; _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 56 _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 . 50873 1 2 285 LYS . 50873 1 3 286 ARG . 50873 1 4 287 GLU . 50873 1 5 288 VAL . 50873 1 6 289 ARG . 50873 1 7 290 LEU . 50873 1 8 291 MET . 50873 1 9 292 LYS . 50873 1 10 293 ASN . 50873 1 11 294 ARG . 50873 1 12 295 GLU . 50873 1 13 296 ALA . 50873 1 14 297 ALA . 50873 1 15 298 ARG . 50873 1 16 299 GLU . 50873 1 17 300 SER . 50873 1 18 301 ARG . 50873 1 19 302 ARG . 50873 1 20 303 LYS . 50873 1 21 304 LYS . 50873 1 22 305 LYS . 50873 1 23 306 GLU . 50873 1 24 307 TYR . 50873 1 25 308 VAL . 50873 1 26 309 LYS . 50873 1 27 310 SER . 50873 1 28 311 LEU . 50873 1 29 312 GLU . 50873 1 30 313 ASN . 50873 1 31 314 ARG . 50873 1 32 315 VAL . 50873 1 33 316 ALA . 50873 1 34 317 VAL . 50873 1 35 318 LEU . 50873 1 36 319 GLU . 50873 1 37 320 ASN . 50873 1 38 321 GLN . 50873 1 39 322 ASN . 50873 1 40 323 LYS . 50873 1 41 324 THR . 50873 1 42 325 LEU . 50873 1 43 326 ILE . 50873 1 44 327 GLU . 50873 1 45 328 GLU . 50873 1 46 329 LEU . 50873 1 47 330 LYS . 50873 1 48 331 ALA . 50873 1 49 332 LEU . 50873 1 50 333 LYS . 50873 1 51 334 ASP . 50873 1 52 335 LEU . 50873 1 53 336 TYR . 50873 1 54 337 SER . 50873 1 55 338 HIS . 50873 1 56 339 LYS . 50873 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 50873 1 . LYS 2 2 50873 1 . ARG 3 3 50873 1 . GLU 4 4 50873 1 . VAL 5 5 50873 1 . ARG 6 6 50873 1 . LEU 7 7 50873 1 . MET 8 8 50873 1 . LYS 9 9 50873 1 . ASN 10 10 50873 1 . ARG 11 11 50873 1 . GLU 12 12 50873 1 . ALA 13 13 50873 1 . ALA 14 14 50873 1 . ARG 15 15 50873 1 . GLU 16 16 50873 1 . SER 17 17 50873 1 . ARG 18 18 50873 1 . ARG 19 19 50873 1 . LYS 20 20 50873 1 . LYS 21 21 50873 1 . LYS 22 22 50873 1 . GLU 23 23 50873 1 . TYR 24 24 50873 1 . VAL 25 25 50873 1 . LYS 26 26 50873 1 . SER 27 27 50873 1 . LEU 28 28 50873 1 . GLU 29 29 50873 1 . ASN 30 30 50873 1 . ARG 31 31 50873 1 . VAL 32 32 50873 1 . ALA 33 33 50873 1 . VAL 34 34 50873 1 . LEU 35 35 50873 1 . GLU 36 36 50873 1 . ASN 37 37 50873 1 . GLN 38 38 50873 1 . ASN 39 39 50873 1 . LYS 40 40 50873 1 . THR 41 41 50873 1 . LEU 42 42 50873 1 . ILE 43 43 50873 1 . GLU 44 44 50873 1 . GLU 45 45 50873 1 . LEU 46 46 50873 1 . LYS 47 47 50873 1 . ALA 48 48 50873 1 . LEU 49 49 50873 1 . LYS 50 50 50873 1 . ASP 51 51 50873 1 . LEU 52 52 50873 1 . TYR 53 53 50873 1 . SER 54 54 50873 1 . HIS 55 55 50873 1 . LYS 56 56 50873 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 50873 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AGATGACGTCATCT ; _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 14 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . DA . 50873 2 2 . DG . 50873 2 3 . DA . 50873 2 4 . DT . 50873 2 5 . DG . 50873 2 6 . DA . 50873 2 7 . DC . 50873 2 8 . DG . 50873 2 9 . DT . 50873 2 10 . DC . 50873 2 11 . DA . 50873 2 12 . DT . 50873 2 13 . DC . 50873 2 14 . DT . 50873 2 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 . DA 1 1 50873 2 . DG 2 2 50873 2 . DA 3 3 50873 2 . DT 4 4 50873 2 . DG 5 5 50873 2 . DA 6 6 50873 2 . DC 7 7 50873 2 . DG 8 8 50873 2 . DT 9 9 50873 2 . DC 10 10 50873 2 . DA 11 11 50873 2 . DT 12 12 50873 2 . DC 13 13 50873 2 . DT 14 14 50873 2 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 50873 _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 . . . . . . . . . . . . . 50873 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 50873 _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 . . . 50873 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50873 _Sample.ID 1 _Sample.Name '13C/15N CREB dimer with CRE DNA' _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 285-339 dimer' '[U-98% 15N]' . . 1 $entity_1 . . 500 . . uM . . . . 50873 1 2 'Magnesium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 50873 1 3 DSS 'natural abundance' . . . . . . 10 . . uM . . . . 50873 1 4 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 50873 1 5 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 50873 1 6 TRIS [U-2H] . . . . . . 10 . . mM . . . . 50873 1 7 'CRE DNA' 'natural abundance' . . 2 $entity_2 . . 1000 . . mM . . . . 50873 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 50873 _Sample_condition_list.ID 1 _Sample_condition_list.Name '308K 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 . M 50873 1 pH 6.5 . pH 50873 1 pressure 1 . atm 50873 1 temperature 308 . K 50873 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50873 _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 . 50873 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50873 _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' . 50873 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50873 _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' . 50873 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 50873 _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 . 50873 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 50873 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 750' _NMR_spectrometer.Details 'equipped with TCI CryoProbe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 50873 _Experiment_list.ID 1 _Experiment_list.Details '3D HNCA is from the BEST TROSY version.' 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-13C HMQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50873 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50873 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50873 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50873 1 5 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50873 1 6 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50873 1 7 '3D HBHA(CBCACO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50873 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50873 1 9 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50873 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 50873 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'CREB 285-339 CRE DNA' _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 . . . . . 50873 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 50873 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 50873 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 50873 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'CREB 285-339 dimer with CRE DNA' _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-13C HMQC' . . . 50873 1 2 '2D 1H-15N HSQC' . . . 50873 1 3 '3D CBCA(CO)NH' . . . 50873 1 4 '3D HNCO' . . . 50873 1 5 '3D HNCA' . . . 50873 1 6 '3D HN(CA)CO' . . . 50873 1 7 '3D HBHA(CBCACO)NH' . . . 50873 1 8 '3D HCCH-TOCSY' . . . 50873 1 9 '3D HNCA' . . . 50873 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 . . 50873 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 C C 13 178.556 0.000 . 1 . . . . . 285 LYS C . 50873 1 2 . 1 . 1 2 2 LYS CA C 13 59.295 0.000 . 1 . . . . . 285 LYS CA . 50873 1 3 . 1 . 1 2 2 LYS CB C 13 32.750 0.000 . 1 . . . . . 285 LYS CB . 50873 1 4 . 1 . 1 3 3 ARG H H 1 8.853 0.019 . 1 . . . . . 286 ARG H . 50873 1 5 . 1 . 1 3 3 ARG HA H 1 3.776 0.000 . 1 . . . . . 286 ARG HA . 50873 1 6 . 1 . 1 3 3 ARG HB2 H 1 2.156 0.000 . 1 . . . . . 286 ARG HB2 . 50873 1 7 . 1 . 1 3 3 ARG HG2 H 1 1.791 0.000 . 1 . . . . . 286 ARG HG2 . 50873 1 8 . 1 . 1 3 3 ARG HD2 H 1 3.488 0.000 . 1 . . . . . 286 ARG HD2 . 50873 1 9 . 1 . 1 3 3 ARG C C 13 177.499 0.000 . 1 . . . . . 286 ARG C . 50873 1 10 . 1 . 1 3 3 ARG CA C 13 59.283 0.001 . 1 . . . . . 286 ARG CA . 50873 1 11 . 1 . 1 3 3 ARG CB C 13 29.917 0.017 . 1 . . . . . 286 ARG CB . 50873 1 12 . 1 . 1 3 3 ARG CG C 13 27.216 0.000 . 1 . . . . . 286 ARG CG . 50873 1 13 . 1 . 1 3 3 ARG CD C 13 43.776 0.000 . 1 . . . . . 286 ARG CD . 50873 1 14 . 1 . 1 3 3 ARG N N 15 121.365 0.021 . 1 . . . . . 286 ARG N . 50873 1 15 . 1 . 1 4 4 GLU H H 1 8.418 0.007 . 1 . . . . . 287 GLU H . 50873 1 16 . 1 . 1 4 4 GLU HA H 1 3.967 0.000 . 1 . . . . . 287 GLU HA . 50873 1 17 . 1 . 1 4 4 GLU HB2 H 1 1.838 0.000 . 2 . . . . . 287 GLU HB2 . 50873 1 18 . 1 . 1 4 4 GLU HB3 H 1 1.876 0.000 . 2 . . . . . 287 GLU HB3 . 50873 1 19 . 1 . 1 4 4 GLU C C 13 179.240 0.000 . 1 . . . . . 287 GLU C . 50873 1 20 . 1 . 1 4 4 GLU CA C 13 61.100 0.028 . 1 . . . . . 287 GLU CA . 50873 1 21 . 1 . 1 4 4 GLU CB C 13 28.732 0.000 . 1 . . . . . 287 GLU CB . 50873 1 22 . 1 . 1 4 4 GLU N N 15 118.543 0.067 . 1 . . . . . 287 GLU N . 50873 1 23 . 1 . 1 5 5 VAL H H 1 7.903 0.005 . 1 . . . . . 288 VAL H . 50873 1 24 . 1 . 1 5 5 VAL HA H 1 3.847 0.040 . 1 . . . . . 288 VAL HA . 50873 1 25 . 1 . 1 5 5 VAL HB H 1 2.133 0.004 . 1 . . . . . 288 VAL HB . 50873 1 26 . 1 . 1 5 5 VAL HG11 H 1 1.137 0.043 . 2 . . . . . 288 VAL HG11 . 50873 1 27 . 1 . 1 5 5 VAL HG12 H 1 1.137 0.043 . 2 . . . . . 288 VAL HG12 . 50873 1 28 . 1 . 1 5 5 VAL HG13 H 1 1.137 0.043 . 2 . . . . . 288 VAL HG13 . 50873 1 29 . 1 . 1 5 5 VAL HG21 H 1 1.060 0.043 . 2 . . . . . 288 VAL HG21 . 50873 1 30 . 1 . 1 5 5 VAL HG22 H 1 1.060 0.043 . 2 . . . . . 288 VAL HG22 . 50873 1 31 . 1 . 1 5 5 VAL HG23 H 1 1.060 0.043 . 2 . . . . . 288 VAL HG23 . 50873 1 32 . 1 . 1 5 5 VAL C C 13 177.661 0.000 . 1 . . . . . 288 VAL C . 50873 1 33 . 1 . 1 5 5 VAL CA C 13 66.373 0.059 . 1 . . . . . 288 VAL CA . 50873 1 34 . 1 . 1 5 5 VAL CB C 13 31.892 0.029 . 1 . . . . . 288 VAL CB . 50873 1 35 . 1 . 1 5 5 VAL CG1 C 13 22.491 0.016 . 2 . . . . . 288 VAL CG1 . 50873 1 36 . 1 . 1 5 5 VAL CG2 C 13 21.173 0.004 . 2 . . . . . 288 VAL CG2 . 50873 1 37 . 1 . 1 5 5 VAL N N 15 120.618 0.035 . 1 . . . . . 288 VAL N . 50873 1 38 . 1 . 1 6 6 ARG H H 1 7.934 0.022 . 1 . . . . . 289 ARG H . 50873 1 39 . 1 . 1 6 6 ARG HB2 H 1 2.010 0.000 . 1 . . . . . 289 ARG HB2 . 50873 1 40 . 1 . 1 6 6 ARG C C 13 179.135 0.000 . 1 . . . . . 289 ARG C . 50873 1 41 . 1 . 1 6 6 ARG CA C 13 59.456 0.005 . 1 . . . . . 289 ARG CA . 50873 1 42 . 1 . 1 6 6 ARG CB C 13 29.784 0.102 . 1 . . . . . 289 ARG CB . 50873 1 43 . 1 . 1 6 6 ARG N N 15 121.100 0.053 . 1 . . . . . 289 ARG N . 50873 1 44 . 1 . 1 7 7 LEU H H 1 8.466 0.005 . 1 . . . . . 290 LEU H . 50873 1 45 . 1 . 1 7 7 LEU HA H 1 4.338 0.000 . 1 . . . . . 290 LEU HA . 50873 1 46 . 1 . 1 7 7 LEU HB2 H 1 2.004 0.000 . 2 . . . . . 290 LEU HB2 . 50873 1 47 . 1 . 1 7 7 LEU HB3 H 1 1.915 0.047 . 2 . . . . . 290 LEU HB3 . 50873 1 48 . 1 . 1 7 7 LEU HD11 H 1 1.093 0.043 . 2 . . . . . 290 LEU HD11 . 50873 1 49 . 1 . 1 7 7 LEU HD12 H 1 1.093 0.043 . 2 . . . . . 290 LEU HD12 . 50873 1 50 . 1 . 1 7 7 LEU HD13 H 1 1.093 0.043 . 2 . . . . . 290 LEU HD13 . 50873 1 51 . 1 . 1 7 7 LEU HD21 H 1 1.013 0.045 . 2 . . . . . 290 LEU HD21 . 50873 1 52 . 1 . 1 7 7 LEU HD22 H 1 1.013 0.045 . 2 . . . . . 290 LEU HD22 . 50873 1 53 . 1 . 1 7 7 LEU HD23 H 1 1.013 0.045 . 2 . . . . . 290 LEU HD23 . 50873 1 54 . 1 . 1 7 7 LEU C C 13 174.243 0.000 . 1 . . . . . 290 LEU C . 50873 1 55 . 1 . 1 7 7 LEU CA C 13 58.318 0.010 . 1 . . . . . 290 LEU CA . 50873 1 56 . 1 . 1 7 7 LEU CB C 13 42.021 0.071 . 1 . . . . . 290 LEU CB . 50873 1 57 . 1 . 1 7 7 LEU CD1 C 13 23.317 0.035 . 2 . . . . . 290 LEU CD1 . 50873 1 58 . 1 . 1 7 7 LEU CD2 C 13 25.533 0.014 . 2 . . . . . 290 LEU CD2 . 50873 1 59 . 1 . 1 7 7 LEU N N 15 119.420 0.040 . 1 . . . . . 290 LEU N . 50873 1 60 . 1 . 1 8 8 MET H H 1 8.079 0.020 . 1 . . . . . 291 MET H . 50873 1 61 . 1 . 1 8 8 MET C C 13 178.426 0.000 . 1 . . . . . 291 MET C . 50873 1 62 . 1 . 1 8 8 MET CA C 13 59.029 0.000 . 1 . . . . . 291 MET CA . 50873 1 63 . 1 . 1 8 8 MET CB C 13 32.287 0.000 . 1 . . . . . 291 MET CB . 50873 1 64 . 1 . 1 8 8 MET N N 15 120.802 0.023 . 1 . . . . . 291 MET N . 50873 1 65 . 1 . 1 9 9 LYS H H 1 8.542 0.011 . 1 . . . . . 292 LYS H . 50873 1 66 . 1 . 1 9 9 LYS C C 13 180.332 0.000 . 1 . . . . . 292 LYS C . 50873 1 67 . 1 . 1 9 9 LYS CA C 13 59.251 0.063 . 1 . . . . . 292 LYS CA . 50873 1 68 . 1 . 1 9 9 LYS CB C 13 31.842 0.000 . 1 . . . . . 292 LYS CB . 50873 1 69 . 1 . 1 9 9 LYS N N 15 119.499 0.070 . 1 . . . . . 292 LYS N . 50873 1 70 . 1 . 1 10 10 ASN H H 1 8.741 0.006 . 1 . . . . . 293 ASN H . 50873 1 71 . 1 . 1 10 10 ASN HA H 1 4.112 0.000 . 1 . . . . . 293 ASN HA . 50873 1 72 . 1 . 1 10 10 ASN C C 13 176.933 0.000 . 1 . . . . . 293 ASN C . 50873 1 73 . 1 . 1 10 10 ASN CA C 13 57.274 0.033 . 1 . . . . . 293 ASN CA . 50873 1 74 . 1 . 1 10 10 ASN CB C 13 39.495 0.000 . 1 . . . . . 293 ASN CB . 50873 1 75 . 1 . 1 10 10 ASN N N 15 118.822 0.052 . 1 . . . . . 293 ASN N . 50873 1 76 . 1 . 1 11 11 ARG H H 1 8.340 0.021 . 1 . . . . . 294 ARG H . 50873 1 77 . 1 . 1 11 11 ARG HG2 H 1 1.830 0.045 . 1 . . . . . 294 ARG HG2 . 50873 1 78 . 1 . 1 11 11 ARG HD2 H 1 3.439 0.000 . 1 . . . . . 294 ARG HD2 . 50873 1 79 . 1 . 1 11 11 ARG C C 13 179.795 0.000 . 1 . . . . . 294 ARG C . 50873 1 80 . 1 . 1 11 11 ARG CA C 13 59.573 0.000 . 1 . . . . . 294 ARG CA . 50873 1 81 . 1 . 1 11 11 ARG CB C 13 30.083 0.000 . 1 . . . . . 294 ARG CB . 50873 1 82 . 1 . 1 11 11 ARG CG C 13 27.129 0.016 . 1 . . . . . 294 ARG CG . 50873 1 83 . 1 . 1 11 11 ARG CD C 13 43.493 0.000 . 1 . . . . . 294 ARG CD . 50873 1 84 . 1 . 1 11 11 ARG N N 15 119.724 0.056 . 1 . . . . . 294 ARG N . 50873 1 85 . 1 . 1 12 12 GLU H H 1 7.716 0.021 . 1 . . . . . 295 GLU H . 50873 1 86 . 1 . 1 12 12 GLU HA H 1 4.169 0.000 . 1 . . . . . 295 GLU HA . 50873 1 87 . 1 . 1 12 12 GLU HB2 H 1 2.199 0.000 . 1 . . . . . 295 GLU HB2 . 50873 1 88 . 1 . 1 12 12 GLU C C 13 178.823 0.000 . 1 . . . . . 295 GLU C . 50873 1 89 . 1 . 1 12 12 GLU CA C 13 59.168 0.000 . 1 . . . . . 295 GLU CA . 50873 1 90 . 1 . 1 12 12 GLU CB C 13 29.218 0.000 . 1 . . . . . 295 GLU CB . 50873 1 91 . 1 . 1 12 12 GLU N N 15 120.885 0.034 . 1 . . . . . 295 GLU N . 50873 1 92 . 1 . 1 13 13 ALA H H 1 8.363 0.018 . 1 . . . . . 296 ALA H . 50873 1 93 . 1 . 1 13 13 ALA HA H 1 4.330 0.042 . 1 . . . . . 296 ALA HA . 50873 1 94 . 1 . 1 13 13 ALA HB1 H 1 1.648 0.044 . 1 . . . . . 296 ALA HB1 . 50873 1 95 . 1 . 1 13 13 ALA HB2 H 1 1.648 0.044 . 1 . . . . . 296 ALA HB2 . 50873 1 96 . 1 . 1 13 13 ALA HB3 H 1 1.648 0.044 . 1 . . . . . 296 ALA HB3 . 50873 1 97 . 1 . 1 13 13 ALA C C 13 180.745 0.000 . 1 . . . . . 296 ALA C . 50873 1 98 . 1 . 1 13 13 ALA CA C 13 55.039 0.037 . 1 . . . . . 296 ALA CA . 50873 1 99 . 1 . 1 13 13 ALA CB C 13 18.582 0.051 . 1 . . . . . 296 ALA CB . 50873 1 100 . 1 . 1 13 13 ALA N N 15 123.675 0.052 . 1 . . . . . 296 ALA N . 50873 1 101 . 1 . 1 14 14 ALA H H 1 8.734 0.023 . 1 . . . . . 297 ALA H . 50873 1 102 . 1 . 1 14 14 ALA C C 13 179.689 0.000 . 1 . . . . . 297 ALA C . 50873 1 103 . 1 . 1 14 14 ALA CA C 13 55.470 0.014 . 1 . . . . . 297 ALA CA . 50873 1 104 . 1 . 1 14 14 ALA CB C 13 19.562 0.031 . 1 . . . . . 297 ALA CB . 50873 1 105 . 1 . 1 14 14 ALA N N 15 122.506 0.058 . 1 . . . . . 297 ALA N . 50873 1 106 . 1 . 1 15 15 ARG H H 1 7.499 0.024 . 1 . . . . . 298 ARG H . 50873 1 107 . 1 . 1 15 15 ARG HA H 1 4.340 0.000 . 1 . . . . . 298 ARG HA . 50873 1 108 . 1 . 1 15 15 ARG HB2 H 1 2.355 0.040 . 1 . . . . . 298 ARG HB2 . 50873 1 109 . 1 . 1 15 15 ARG HG2 H 1 1.976 0.000 . 1 . . . . . 298 ARG HG2 . 50873 1 110 . 1 . 1 15 15 ARG HD2 H 1 3.517 0.000 . 1 . . . . . 298 ARG HD2 . 50873 1 111 . 1 . 1 15 15 ARG C C 13 179.778 0.000 . 1 . . . . . 298 ARG C . 50873 1 112 . 1 . 1 15 15 ARG CA C 13 60.200 0.000 . 1 . . . . . 298 ARG CA . 50873 1 113 . 1 . 1 15 15 ARG CB C 13 30.205 0.035 . 1 . . . . . 298 ARG CB . 50873 1 114 . 1 . 1 15 15 ARG CG C 13 27.211 0.000 . 1 . . . . . 298 ARG CG . 50873 1 115 . 1 . 1 15 15 ARG CD C 13 44.387 0.000 . 1 . . . . . 298 ARG CD . 50873 1 116 . 1 . 1 15 15 ARG N N 15 118.396 0.057 . 1 . . . . . 298 ARG N . 50873 1 117 . 1 . 1 16 16 GLU H H 1 7.951 0.016 . 1 . . . . . 299 GLU H . 50873 1 118 . 1 . 1 16 16 GLU C C 13 178.675 0.000 . 1 . . . . . 299 GLU C . 50873 1 119 . 1 . 1 16 16 GLU CA C 13 58.684 0.057 . 1 . . . . . 299 GLU CA . 50873 1 120 . 1 . 1 16 16 GLU CB C 13 28.985 0.000 . 1 . . . . . 299 GLU CB . 50873 1 121 . 1 . 1 16 16 GLU N N 15 120.391 0.031 . 1 . . . . . 299 GLU N . 50873 1 122 . 1 . 1 17 17 SER H H 1 8.837 0.021 . 1 . . . . . 300 SER H . 50873 1 123 . 1 . 1 17 17 SER HA H 1 4.579 0.000 . 1 . . . . . 300 SER HA . 50873 1 124 . 1 . 1 17 17 SER HB2 H 1 4.069 0.000 . 1 . . . . . 300 SER HB2 . 50873 1 125 . 1 . 1 17 17 SER C C 13 178.242 0.000 . 1 . . . . . 300 SER C . 50873 1 126 . 1 . 1 17 17 SER CA C 13 62.658 0.000 . 1 . . . . . 300 SER CA . 50873 1 127 . 1 . 1 17 17 SER CB C 13 63.535 0.000 . 1 . . . . . 300 SER CB . 50873 1 128 . 1 . 1 17 17 SER N N 15 117.597 0.054 . 1 . . . . . 300 SER N . 50873 1 129 . 1 . 1 18 18 ARG H H 1 8.401 0.019 . 1 . . . . . 301 ARG H . 50873 1 130 . 1 . 1 18 18 ARG HG2 H 1 2.143 0.000 . 1 . . . . . 301 ARG HG2 . 50873 1 131 . 1 . 1 18 18 ARG C C 13 179.737 0.000 . 1 . . . . . 301 ARG C . 50873 1 132 . 1 . 1 18 18 ARG CA C 13 60.602 0.000 . 1 . . . . . 301 ARG CA . 50873 1 133 . 1 . 1 18 18 ARG CG C 13 27.427 0.000 . 1 . . . . . 301 ARG CG . 50873 1 134 . 1 . 1 18 18 ARG N N 15 120.008 0.056 . 1 . . . . . 301 ARG N . 50873 1 135 . 1 . 1 19 19 ARG H H 1 7.942 0.017 . 1 . . . . . 302 ARG H . 50873 1 136 . 1 . 1 19 19 ARG C C 13 178.927 0.000 . 1 . . . . . 302 ARG C . 50873 1 137 . 1 . 1 19 19 ARG CA C 13 59.989 0.000 . 1 . . . . . 302 ARG CA . 50873 1 138 . 1 . 1 19 19 ARG CB C 13 29.809 0.000 . 1 . . . . . 302 ARG CB . 50873 1 139 . 1 . 1 19 19 ARG N N 15 122.304 0.035 . 1 . . . . . 302 ARG N . 50873 1 140 . 1 . 1 20 20 LYS H H 1 8.607 0.005 . 1 . . . . . 303 LYS H . 50873 1 141 . 1 . 1 20 20 LYS HA H 1 4.034 0.000 . 1 . . . . . 303 LYS HA . 50873 1 142 . 1 . 1 20 20 LYS HB2 H 1 2.029 0.000 . 1 . . . . . 303 LYS HB2 . 50873 1 143 . 1 . 1 20 20 LYS HD2 H 1 1.533 0.043 . 1 . . . . . 303 LYS HD2 . 50873 1 144 . 1 . 1 20 20 LYS C C 13 179.989 0.000 . 1 . . . . . 303 LYS C . 50873 1 145 . 1 . 1 20 20 LYS CA C 13 60.033 0.009 . 1 . . . . . 303 LYS CA . 50873 1 146 . 1 . 1 20 20 LYS CB C 13 32.602 0.000 . 1 . . . . . 303 LYS CB . 50873 1 147 . 1 . 1 20 20 LYS CD C 13 27.757 0.066 . 1 . . . . . 303 LYS CD . 50873 1 148 . 1 . 1 20 20 LYS N N 15 120.262 0.054 . 1 . . . . . 303 LYS N . 50873 1 149 . 1 . 1 21 21 LYS H H 1 8.305 0.021 . 1 . . . . . 304 LYS H . 50873 1 150 . 1 . 1 21 21 LYS HA H 1 3.934 0.000 . 1 . . . . . 304 LYS HA . 50873 1 151 . 1 . 1 21 21 LYS HB2 H 1 1.486 0.000 . 1 . . . . . 304 LYS HB2 . 50873 1 152 . 1 . 1 21 21 LYS C C 13 178.555 0.000 . 1 . . . . . 304 LYS C . 50873 1 153 . 1 . 1 21 21 LYS CA C 13 58.776 0.008 . 1 . . . . . 304 LYS CA . 50873 1 154 . 1 . 1 21 21 LYS CB C 13 31.406 0.000 . 1 . . . . . 304 LYS CB . 50873 1 155 . 1 . 1 21 21 LYS N N 15 121.397 0.031 . 1 . . . . . 304 LYS N . 50873 1 156 . 1 . 1 22 22 LYS H H 1 8.020 0.022 . 1 . . . . . 305 LYS H . 50873 1 157 . 1 . 1 22 22 LYS HA H 1 4.125 0.000 . 1 . . . . . 305 LYS HA . 50873 1 158 . 1 . 1 22 22 LYS HB2 H 1 2.092 0.000 . 1 . . . . . 305 LYS HB2 . 50873 1 159 . 1 . 1 22 22 LYS C C 13 179.942 0.000 . 1 . . . . . 305 LYS C . 50873 1 160 . 1 . 1 22 22 LYS CA C 13 60.090 0.000 . 1 . . . . . 305 LYS CA . 50873 1 161 . 1 . 1 22 22 LYS N N 15 120.057 0.030 . 1 . . . . . 305 LYS N . 50873 1 162 . 1 . 1 23 23 GLU H H 1 8.179 0.020 . 1 . . . . . 306 GLU H . 50873 1 163 . 1 . 1 23 23 GLU HB2 H 1 2.209 0.000 . 1 . . . . . 306 GLU HB2 . 50873 1 164 . 1 . 1 23 23 GLU C C 13 179.124 0.000 . 1 . . . . . 306 GLU C . 50873 1 165 . 1 . 1 23 23 GLU CA C 13 59.140 0.011 . 1 . . . . . 306 GLU CA . 50873 1 166 . 1 . 1 23 23 GLU CB C 13 29.306 0.000 . 1 . . . . . 306 GLU CB . 50873 1 167 . 1 . 1 23 23 GLU N N 15 118.687 0.000 . 1 . . . . . 306 GLU N . 50873 1 168 . 1 . 1 24 24 TYR H H 1 8.537 0.008 . 1 . . . . . 307 TYR H . 50873 1 169 . 1 . 1 24 24 TYR HA H 1 4.291 0.000 . 1 . . . . . 307 TYR HA . 50873 1 170 . 1 . 1 24 24 TYR C C 13 178.110 0.000 . 1 . . . . . 307 TYR C . 50873 1 171 . 1 . 1 24 24 TYR CA C 13 60.903 0.000 . 1 . . . . . 307 TYR CA . 50873 1 172 . 1 . 1 24 24 TYR CB C 13 38.258 0.000 . 1 . . . . . 307 TYR CB . 50873 1 173 . 1 . 1 24 24 TYR N N 15 123.252 0.054 . 1 . . . . . 307 TYR N . 50873 1 174 . 1 . 1 25 25 VAL H H 1 8.490 0.008 . 1 . . . . . 308 VAL H . 50873 1 175 . 1 . 1 25 25 VAL HA H 1 3.967 0.000 . 1 . . . . . 308 VAL HA . 50873 1 176 . 1 . 1 25 25 VAL HB H 1 2.172 0.000 . 1 . . . . . 308 VAL HB . 50873 1 177 . 1 . 1 25 25 VAL HG11 H 1 1.338 0.047 . 2 . . . . . 308 VAL HG11 . 50873 1 178 . 1 . 1 25 25 VAL HG12 H 1 1.338 0.047 . 2 . . . . . 308 VAL HG12 . 50873 1 179 . 1 . 1 25 25 VAL HG13 H 1 1.338 0.047 . 2 . . . . . 308 VAL HG13 . 50873 1 180 . 1 . 1 25 25 VAL HG21 H 1 1.109 0.045 . 2 . . . . . 308 VAL HG21 . 50873 1 181 . 1 . 1 25 25 VAL HG22 H 1 1.109 0.045 . 2 . . . . . 308 VAL HG22 . 50873 1 182 . 1 . 1 25 25 VAL HG23 H 1 1.109 0.045 . 2 . . . . . 308 VAL HG23 . 50873 1 183 . 1 . 1 25 25 VAL C C 13 177.801 0.000 . 1 . . . . . 308 VAL C . 50873 1 184 . 1 . 1 25 25 VAL CA C 13 67.787 0.053 . 1 . . . . . 308 VAL CA . 50873 1 185 . 1 . 1 25 25 VAL CB C 13 31.518 0.000 . 1 . . . . . 308 VAL CB . 50873 1 186 . 1 . 1 25 25 VAL CG1 C 13 24.198 0.025 . 2 . . . . . 308 VAL CG1 . 50873 1 187 . 1 . 1 25 25 VAL CG2 C 13 21.718 0.007 . 2 . . . . . 308 VAL CG2 . 50873 1 188 . 1 . 1 25 25 VAL N N 15 120.618 0.052 . 1 . . . . . 308 VAL N . 50873 1 189 . 1 . 1 26 26 LYS H H 1 7.878 0.022 . 1 . . . . . 309 LYS H . 50873 1 190 . 1 . 1 26 26 LYS HA H 1 4.214 0.000 . 1 . . . . . 309 LYS HA . 50873 1 191 . 1 . 1 26 26 LYS HB2 H 1 1.937 0.000 . 1 . . . . . 309 LYS HB2 . 50873 1 192 . 1 . 1 26 26 LYS C C 13 179.390 0.000 . 1 . . . . . 309 LYS C . 50873 1 193 . 1 . 1 26 26 LYS CA C 13 58.983 0.000 . 1 . . . . . 309 LYS CA . 50873 1 194 . 1 . 1 26 26 LYS CB C 13 31.861 0.000 . 1 . . . . . 309 LYS CB . 50873 1 195 . 1 . 1 26 26 LYS N N 15 118.711 0.023 . 1 . . . . . 309 LYS N . 50873 1 196 . 1 . 1 27 27 SER H H 1 8.409 0.025 . 1 . . . . . 310 SER H . 50873 1 197 . 1 . 1 27 27 SER HA H 1 4.181 0.000 . 1 . . . . . 310 SER HA . 50873 1 198 . 1 . 1 27 27 SER HB2 H 1 3.505 0.000 . 2 . . . . . 310 SER HB2 . 50873 1 199 . 1 . 1 27 27 SER HB3 H 1 3.679 0.000 . 2 . . . . . 310 SER HB3 . 50873 1 200 . 1 . 1 27 27 SER C C 13 177.454 0.000 . 1 . . . . . 310 SER C . 50873 1 201 . 1 . 1 27 27 SER CA C 13 61.743 0.000 . 1 . . . . . 310 SER CA . 50873 1 202 . 1 . 1 27 27 SER CB C 13 62.492 0.000 . 1 . . . . . 310 SER CB . 50873 1 203 . 1 . 1 27 27 SER N N 15 116.114 0.017 . 1 . . . . . 310 SER N . 50873 1 204 . 1 . 1 28 28 LEU H H 1 7.983 0.021 . 1 . . . . . 311 LEU H . 50873 1 205 . 1 . 1 28 28 LEU HA H 1 4.117 0.000 . 1 . . . . . 311 LEU HA . 50873 1 206 . 1 . 1 28 28 LEU HB2 H 1 1.464 0.043 . 2 . . . . . 311 LEU HB2 . 50873 1 207 . 1 . 1 28 28 LEU HB3 H 1 1.657 0.000 . 2 . . . . . 311 LEU HB3 . 50873 1 208 . 1 . 1 28 28 LEU HG H 1 1.351 0.000 . 1 . . . . . 311 LEU HG . 50873 1 209 . 1 . 1 28 28 LEU HD11 H 1 0.737 0.000 . 2 . . . . . 311 LEU HD11 . 50873 1 210 . 1 . 1 28 28 LEU HD12 H 1 0.737 0.000 . 2 . . . . . 311 LEU HD12 . 50873 1 211 . 1 . 1 28 28 LEU HD13 H 1 0.737 0.000 . 2 . . . . . 311 LEU HD13 . 50873 1 212 . 1 . 1 28 28 LEU HD21 H 1 0.834 0.000 . 2 . . . . . 311 LEU HD21 . 50873 1 213 . 1 . 1 28 28 LEU HD22 H 1 0.834 0.000 . 2 . . . . . 311 LEU HD22 . 50873 1 214 . 1 . 1 28 28 LEU HD23 H 1 0.834 0.000 . 2 . . . . . 311 LEU HD23 . 50873 1 215 . 1 . 1 28 28 LEU C C 13 178.700 0.000 . 1 . . . . . 311 LEU C . 50873 1 216 . 1 . 1 28 28 LEU CA C 13 57.812 0.094 . 1 . . . . . 311 LEU CA . 50873 1 217 . 1 . 1 28 28 LEU CB C 13 43.498 0.000 . 1 . . . . . 311 LEU CB . 50873 1 218 . 1 . 1 28 28 LEU CG C 13 26.586 0.000 . 1 . . . . . 311 LEU CG . 50873 1 219 . 1 . 1 28 28 LEU CD1 C 13 26.802 0.000 . 2 . . . . . 311 LEU CD1 . 50873 1 220 . 1 . 1 28 28 LEU CD2 C 13 23.143 0.000 . 2 . . . . . 311 LEU CD2 . 50873 1 221 . 1 . 1 28 28 LEU N N 15 125.176 0.063 . 1 . . . . . 311 LEU N . 50873 1 222 . 1 . 1 29 29 GLU H H 1 8.399 0.021 . 1 . . . . . 312 GLU H . 50873 1 223 . 1 . 1 29 29 GLU C C 13 180.473 0.000 . 1 . . . . . 312 GLU C . 50873 1 224 . 1 . 1 29 29 GLU CA C 13 59.752 0.006 . 1 . . . . . 312 GLU CA . 50873 1 225 . 1 . 1 29 29 GLU CB C 13 29.503 0.000 . 1 . . . . . 312 GLU CB . 50873 1 226 . 1 . 1 29 29 GLU N N 15 118.552 0.006 . 1 . . . . . 312 GLU N . 50873 1 227 . 1 . 1 30 30 ASN H H 1 8.418 0.026 . 1 . . . . . 313 ASN H . 50873 1 228 . 1 . 1 30 30 ASN HA H 1 4.006 0.000 . 1 . . . . . 313 ASN HA . 50873 1 229 . 1 . 1 30 30 ASN HD21 H 1 6.956 0.000 . 1 . . . . . 313 ASN HD21 . 50873 1 230 . 1 . 1 30 30 ASN HD22 H 1 7.737 0.000 . 1 . . . . . 313 ASN HD22 . 50873 1 231 . 1 . 1 30 30 ASN C C 13 176.725 0.000 . 1 . . . . . 313 ASN C . 50873 1 232 . 1 . 1 30 30 ASN CA C 13 56.253 0.036 . 1 . . . . . 313 ASN CA . 50873 1 233 . 1 . 1 30 30 ASN CB C 13 38.710 0.037 . 1 . . . . . 313 ASN CB . 50873 1 234 . 1 . 1 30 30 ASN CG C 13 174.753 0.000 . 1 . . . . . 313 ASN CG . 50873 1 235 . 1 . 1 30 30 ASN N N 15 118.004 0.043 . 1 . . . . . 313 ASN N . 50873 1 236 . 1 . 1 30 30 ASN ND2 N 15 112.429 0.018 . 1 . . . . . 313 ASN ND2 . 50873 1 237 . 1 . 1 31 31 ARG H H 1 8.333 0.020 . 1 . . . . . 314 ARG H . 50873 1 238 . 1 . 1 31 31 ARG HB2 H 1 2.153 0.000 . 1 . . . . . 314 ARG HB2 . 50873 1 239 . 1 . 1 31 31 ARG C C 13 178.559 0.000 . 1 . . . . . 314 ARG C . 50873 1 240 . 1 . 1 31 31 ARG CA C 13 58.926 0.000 . 1 . . . . . 314 ARG CA . 50873 1 241 . 1 . 1 31 31 ARG CB C 13 29.926 0.004 . 1 . . . . . 314 ARG CB . 50873 1 242 . 1 . 1 31 31 ARG N N 15 121.652 0.018 . 1 . . . . . 314 ARG N . 50873 1 243 . 1 . 1 32 32 VAL H H 1 8.459 0.022 . 1 . . . . . 315 VAL H . 50873 1 244 . 1 . 1 32 32 VAL HA H 1 3.570 0.000 . 1 . . . . . 315 VAL HA . 50873 1 245 . 1 . 1 32 32 VAL HG11 H 1 0.935 0.044 . 1 . . . . . 315 VAL HG11 . 50873 1 246 . 1 . 1 32 32 VAL HG12 H 1 0.935 0.044 . 1 . . . . . 315 VAL HG12 . 50873 1 247 . 1 . 1 32 32 VAL HG13 H 1 0.935 0.044 . 1 . . . . . 315 VAL HG13 . 50873 1 248 . 1 . 1 32 32 VAL C C 13 176.800 0.000 . 1 . . . . . 315 VAL C . 50873 1 249 . 1 . 1 32 32 VAL CA C 13 67.393 0.053 . 1 . . . . . 315 VAL CA . 50873 1 250 . 1 . 1 32 32 VAL CB C 13 31.600 0.000 . 1 . . . . . 315 VAL CB . 50873 1 251 . 1 . 1 32 32 VAL CG1 C 13 21.624 0.003 . 1 . . . . . 315 VAL CG1 . 50873 1 252 . 1 . 1 32 32 VAL N N 15 118.430 0.080 . 1 . . . . . 315 VAL N . 50873 1 253 . 1 . 1 33 33 ALA H H 1 7.324 0.022 . 1 . . . . . 316 ALA H . 50873 1 254 . 1 . 1 33 33 ALA HA H 1 4.228 0.050 . 1 . . . . . 316 ALA HA . 50873 1 255 . 1 . 1 33 33 ALA HB1 H 1 1.609 0.042 . 1 . . . . . 316 ALA HB1 . 50873 1 256 . 1 . 1 33 33 ALA HB2 H 1 1.609 0.042 . 1 . . . . . 316 ALA HB2 . 50873 1 257 . 1 . 1 33 33 ALA HB3 H 1 1.609 0.042 . 1 . . . . . 316 ALA HB3 . 50873 1 258 . 1 . 1 33 33 ALA C C 13 181.293 0.000 . 1 . . . . . 316 ALA C . 50873 1 259 . 1 . 1 33 33 ALA CA C 13 55.417 0.052 . 1 . . . . . 316 ALA CA . 50873 1 260 . 1 . 1 33 33 ALA CB C 13 18.027 0.023 . 1 . . . . . 316 ALA CB . 50873 1 261 . 1 . 1 33 33 ALA N N 15 120.655 0.069 . 1 . . . . . 316 ALA N . 50873 1 262 . 1 . 1 34 34 VAL H H 1 8.258 0.017 . 1 . . . . . 317 VAL H . 50873 1 263 . 1 . 1 34 34 VAL HA H 1 3.806 0.057 . 1 . . . . . 317 VAL HA . 50873 1 264 . 1 . 1 34 34 VAL HB H 1 2.152 0.000 . 1 . . . . . 317 VAL HB . 50873 1 265 . 1 . 1 34 34 VAL HG11 H 1 1.164 0.044 . 2 . . . . . 317 VAL HG11 . 50873 1 266 . 1 . 1 34 34 VAL HG12 H 1 1.164 0.044 . 2 . . . . . 317 VAL HG12 . 50873 1 267 . 1 . 1 34 34 VAL HG13 H 1 1.164 0.044 . 2 . . . . . 317 VAL HG13 . 50873 1 268 . 1 . 1 34 34 VAL HG21 H 1 1.071 0.044 . 2 . . . . . 317 VAL HG21 . 50873 1 269 . 1 . 1 34 34 VAL HG22 H 1 1.071 0.044 . 2 . . . . . 317 VAL HG22 . 50873 1 270 . 1 . 1 34 34 VAL HG23 H 1 1.071 0.044 . 2 . . . . . 317 VAL HG23 . 50873 1 271 . 1 . 1 34 34 VAL C C 13 176.800 0.000 . 1 . . . . . 317 VAL C . 50873 1 272 . 1 . 1 34 34 VAL CA C 13 66.466 0.019 . 1 . . . . . 317 VAL CA . 50873 1 273 . 1 . 1 34 34 VAL CB C 13 29.674 0.000 . 1 . . . . . 317 VAL CB . 50873 1 274 . 1 . 1 34 34 VAL CG1 C 13 22.741 0.021 . 1 . . . . . 317 VAL CG1 . 50873 1 275 . 1 . 1 34 34 VAL CG2 C 13 22.741 0.021 . 1 . . . . . 317 VAL CG2 . 50873 1 276 . 1 . 1 34 34 VAL N N 15 119.245 0.055 . 1 . . . . . 317 VAL N . 50873 1 277 . 1 . 1 35 35 LEU H H 1 8.631 0.004 . 1 . . . . . 318 LEU H . 50873 1 278 . 1 . 1 35 35 LEU HA H 1 3.933 0.000 . 1 . . . . . 318 LEU HA . 50873 1 279 . 1 . 1 35 35 LEU HB2 H 1 1.897 0.000 . 1 . . . . . 318 LEU HB2 . 50873 1 280 . 1 . 1 35 35 LEU HD11 H 1 0.934 0.044 . 2 . . . . . 318 LEU HD11 . 50873 1 281 . 1 . 1 35 35 LEU HD12 H 1 0.934 0.044 . 2 . . . . . 318 LEU HD12 . 50873 1 282 . 1 . 1 35 35 LEU HD13 H 1 0.934 0.044 . 2 . . . . . 318 LEU HD13 . 50873 1 283 . 1 . 1 35 35 LEU HD21 H 1 1.030 0.044 . 2 . . . . . 318 LEU HD21 . 50873 1 284 . 1 . 1 35 35 LEU HD22 H 1 1.030 0.044 . 2 . . . . . 318 LEU HD22 . 50873 1 285 . 1 . 1 35 35 LEU HD23 H 1 1.030 0.044 . 2 . . . . . 318 LEU HD23 . 50873 1 286 . 1 . 1 35 35 LEU C C 13 179.911 0.000 . 1 . . . . . 318 LEU C . 50873 1 287 . 1 . 1 35 35 LEU CA C 13 58.047 0.084 . 1 . . . . . 318 LEU CA . 50873 1 288 . 1 . 1 35 35 LEU CB C 13 43.990 0.000 . 1 . . . . . 318 LEU CB . 50873 1 289 . 1 . 1 35 35 LEU CD1 C 13 22.931 0.008 . 2 . . . . . 318 LEU CD1 . 50873 1 290 . 1 . 1 35 35 LEU CD2 C 13 28.162 0.009 . 2 . . . . . 318 LEU CD2 . 50873 1 291 . 1 . 1 35 35 LEU N N 15 121.312 0.021 . 1 . . . . . 318 LEU N . 50873 1 292 . 1 . 1 36 36 GLU H H 1 9.137 0.022 . 1 . . . . . 319 GLU H . 50873 1 293 . 1 . 1 36 36 GLU HA H 1 4.011 0.000 . 1 . . . . . 319 GLU HA . 50873 1 294 . 1 . 1 36 36 GLU C C 13 179.824 0.000 . 1 . . . . . 319 GLU C . 50873 1 295 . 1 . 1 36 36 GLU CA C 13 60.220 0.053 . 1 . . . . . 319 GLU CA . 50873 1 296 . 1 . 1 36 36 GLU CB C 13 29.427 0.000 . 1 . . . . . 319 GLU CB . 50873 1 297 . 1 . 1 36 36 GLU N N 15 120.600 0.053 . 1 . . . . . 319 GLU N . 50873 1 298 . 1 . 1 37 37 ASN H H 1 7.784 0.023 . 1 . . . . . 320 ASN H . 50873 1 299 . 1 . 1 37 37 ASN HA H 1 4.306 0.000 . 1 . . . . . 320 ASN HA . 50873 1 300 . 1 . 1 37 37 ASN HD21 H 1 7.043 0.000 . 1 . . . . . 320 ASN HD21 . 50873 1 301 . 1 . 1 37 37 ASN HD22 H 1 7.772 0.000 . 1 . . . . . 320 ASN HD22 . 50873 1 302 . 1 . 1 37 37 ASN C C 13 177.952 0.000 . 1 . . . . . 320 ASN C . 50873 1 303 . 1 . 1 37 37 ASN CA C 13 56.796 0.013 . 1 . . . . . 320 ASN CA . 50873 1 304 . 1 . 1 37 37 ASN CB C 13 38.822 0.002 . 1 . . . . . 320 ASN CB . 50873 1 305 . 1 . 1 37 37 ASN CG C 13 173.871 0.000 . 1 . . . . . 320 ASN CG . 50873 1 306 . 1 . 1 37 37 ASN N N 15 118.277 0.071 . 1 . . . . . 320 ASN N . 50873 1 307 . 1 . 1 37 37 ASN ND2 N 15 113.592 0.001 . 1 . . . . . 320 ASN ND2 . 50873 1 308 . 1 . 1 38 38 GLN H H 1 8.696 0.021 . 1 . . . . . 321 GLN H . 50873 1 309 . 1 . 1 38 38 GLN HE21 H 1 6.833 0.019 . 1 . . . . . 321 GLN HE21 . 50873 1 310 . 1 . 1 38 38 GLN HE22 H 1 7.432 0.000 . 1 . . . . . 321 GLN HE22 . 50873 1 311 . 1 . 1 38 38 GLN C C 13 178.081 0.018 . 1 . . . . . 321 GLN C . 50873 1 312 . 1 . 1 38 38 GLN CA C 13 59.245 0.046 . 1 . . . . . 321 GLN CA . 50873 1 313 . 1 . 1 38 38 GLN CB C 13 28.582 0.000 . 1 . . . . . 321 GLN CB . 50873 1 314 . 1 . 1 38 38 GLN CD C 13 179.605 0.000 . 1 . . . . . 321 GLN CD . 50873 1 315 . 1 . 1 38 38 GLN N N 15 121.176 0.037 . 1 . . . . . 321 GLN N . 50873 1 316 . 1 . 1 38 38 GLN NE2 N 15 110.236 0.001 . 1 . . . . . 321 GLN NE2 . 50873 1 317 . 1 . 1 39 39 ASN H H 1 8.873 0.022 . 1 . . . . . 322 ASN H . 50873 1 318 . 1 . 1 39 39 ASN HA H 1 4.003 0.000 . 1 . . . . . 322 ASN HA . 50873 1 319 . 1 . 1 39 39 ASN C C 13 176.507 0.000 . 1 . . . . . 322 ASN C . 50873 1 320 . 1 . 1 39 39 ASN CA C 13 57.312 0.000 . 1 . . . . . 322 ASN CA . 50873 1 321 . 1 . 1 39 39 ASN CB C 13 38.725 0.000 . 1 . . . . . 322 ASN CB . 50873 1 322 . 1 . 1 39 39 ASN N N 15 119.733 0.044 . 1 . . . . . 322 ASN N . 50873 1 323 . 1 . 1 40 40 LYS H H 1 7.800 0.023 . 1 . . . . . 323 LYS H . 50873 1 324 . 1 . 1 40 40 LYS HA H 1 4.538 0.000 . 1 . . . . . 323 LYS HA . 50873 1 325 . 1 . 1 40 40 LYS HB2 H 1 2.028 0.000 . 2 . . . . . 323 LYS HB2 . 50873 1 326 . 1 . 1 40 40 LYS HB3 H 1 1.983 0.000 . 2 . . . . . 323 LYS HB3 . 50873 1 327 . 1 . 1 40 40 LYS C C 13 178.990 0.000 . 1 . . . . . 323 LYS C . 50873 1 328 . 1 . 1 40 40 LYS CA C 13 60.018 0.030 . 1 . . . . . 323 LYS CA . 50873 1 329 . 1 . 1 40 40 LYS CB C 13 32.363 0.000 . 1 . . . . . 323 LYS CB . 50873 1 330 . 1 . 1 40 40 LYS N N 15 118.486 0.058 . 1 . . . . . 323 LYS N . 50873 1 331 . 1 . 1 41 41 THR H H 1 7.882 0.012 . 1 . . . . . 324 THR H . 50873 1 332 . 1 . 1 41 41 THR HA H 1 4.041 0.043 . 1 . . . . . 324 THR HA . 50873 1 333 . 1 . 1 41 41 THR HB H 1 4.378 0.043 . 1 . . . . . 324 THR HB . 50873 1 334 . 1 . 1 41 41 THR HG21 H 1 1.410 0.000 . 1 . . . . . 324 THR HG21 . 50873 1 335 . 1 . 1 41 41 THR HG22 H 1 1.410 0.000 . 1 . . . . . 324 THR HG22 . 50873 1 336 . 1 . 1 41 41 THR HG23 H 1 1.410 0.000 . 1 . . . . . 324 THR HG23 . 50873 1 337 . 1 . 1 41 41 THR C C 13 176.925 0.000 . 1 . . . . . 324 THR C . 50873 1 338 . 1 . 1 41 41 THR CA C 13 66.603 0.040 . 1 . . . . . 324 THR CA . 50873 1 339 . 1 . 1 41 41 THR CB C 13 68.998 0.042 . 1 . . . . . 324 THR CB . 50873 1 340 . 1 . 1 41 41 THR CG2 C 13 21.796 0.000 . 1 . . . . . 324 THR CG2 . 50873 1 341 . 1 . 1 41 41 THR N N 15 115.643 0.052 . 1 . . . . . 324 THR N . 50873 1 342 . 1 . 1 42 42 LEU H H 1 8.351 0.022 . 1 . . . . . 325 LEU H . 50873 1 343 . 1 . 1 42 42 LEU HA H 1 4.096 0.000 . 1 . . . . . 325 LEU HA . 50873 1 344 . 1 . 1 42 42 LEU HD11 H 1 0.945 0.000 . 2 . . . . . 325 LEU HD11 . 50873 1 345 . 1 . 1 42 42 LEU HD12 H 1 0.945 0.000 . 2 . . . . . 325 LEU HD12 . 50873 1 346 . 1 . 1 42 42 LEU HD13 H 1 0.945 0.000 . 2 . . . . . 325 LEU HD13 . 50873 1 347 . 1 . 1 42 42 LEU HD21 H 1 1.040 0.000 . 2 . . . . . 325 LEU HD21 . 50873 1 348 . 1 . 1 42 42 LEU HD22 H 1 1.040 0.000 . 2 . . . . . 325 LEU HD22 . 50873 1 349 . 1 . 1 42 42 LEU HD23 H 1 1.040 0.000 . 2 . . . . . 325 LEU HD23 . 50873 1 350 . 1 . 1 42 42 LEU C C 13 178.750 0.000 . 1 . . . . . 325 LEU C . 50873 1 351 . 1 . 1 42 42 LEU CA C 13 58.583 0.000 . 1 . . . . . 325 LEU CA . 50873 1 352 . 1 . 1 42 42 LEU CB C 13 43.291 0.050 . 1 . . . . . 325 LEU CB . 50873 1 353 . 1 . 1 42 42 LEU CD1 C 13 23.345 0.000 . 2 . . . . . 325 LEU CD1 . 50873 1 354 . 1 . 1 42 42 LEU CD2 C 13 26.720 0.000 . 2 . . . . . 325 LEU CD2 . 50873 1 355 . 1 . 1 42 42 LEU N N 15 123.726 0.039 . 1 . . . . . 325 LEU N . 50873 1 356 . 1 . 1 43 43 ILE H H 1 8.385 0.021 . 1 . . . . . 326 ILE H . 50873 1 357 . 1 . 1 43 43 ILE HA H 1 3.970 0.000 . 1 . . . . . 326 ILE HA . 50873 1 358 . 1 . 1 43 43 ILE HB H 1 2.013 0.042 . 1 . . . . . 326 ILE HB . 50873 1 359 . 1 . 1 43 43 ILE HG21 H 1 0.982 0.042 . 1 . . . . . 326 ILE HG21 . 50873 1 360 . 1 . 1 43 43 ILE HG22 H 1 0.982 0.042 . 1 . . . . . 326 ILE HG22 . 50873 1 361 . 1 . 1 43 43 ILE HG23 H 1 0.982 0.042 . 1 . . . . . 326 ILE HG23 . 50873 1 362 . 1 . 1 43 43 ILE HD11 H 1 0.863 0.043 . 1 . . . . . 326 ILE HD11 . 50873 1 363 . 1 . 1 43 43 ILE HD12 H 1 0.863 0.043 . 1 . . . . . 326 ILE HD12 . 50873 1 364 . 1 . 1 43 43 ILE HD13 H 1 0.863 0.043 . 1 . . . . . 326 ILE HD13 . 50873 1 365 . 1 . 1 43 43 ILE C C 13 179.186 0.000 . 1 . . . . . 326 ILE C . 50873 1 366 . 1 . 1 43 43 ILE CA C 13 65.662 0.000 . 1 . . . . . 326 ILE CA . 50873 1 367 . 1 . 1 43 43 ILE CB C 13 38.039 0.025 . 1 . . . . . 326 ILE CB . 50873 1 368 . 1 . 1 43 43 ILE CG2 C 13 17.183 0.038 . 1 . . . . . 326 ILE CG2 . 50873 1 369 . 1 . 1 43 43 ILE CD1 C 13 13.298 0.028 . 1 . . . . . 326 ILE CD1 . 50873 1 370 . 1 . 1 43 43 ILE N N 15 119.721 0.073 . 1 . . . . . 326 ILE N . 50873 1 371 . 1 . 1 44 44 GLU H H 1 7.905 0.020 . 1 . . . . . 327 GLU H . 50873 1 372 . 1 . 1 44 44 GLU HA H 1 4.016 0.000 . 1 . . . . . 327 GLU HA . 50873 1 373 . 1 . 1 44 44 GLU HB2 H 1 2.168 0.000 . 1 . . . . . 327 GLU HB2 . 50873 1 374 . 1 . 1 44 44 GLU C C 13 179.542 0.013 . 1 . . . . . 327 GLU C . 50873 1 375 . 1 . 1 44 44 GLU CA C 13 59.350 0.000 . 1 . . . . . 327 GLU CA . 50873 1 376 . 1 . 1 44 44 GLU CB C 13 29.190 0.000 . 1 . . . . . 327 GLU CB . 50873 1 377 . 1 . 1 44 44 GLU N N 15 119.405 0.027 . 1 . . . . . 327 GLU N . 50873 1 378 . 1 . 1 45 45 GLU H H 1 8.365 0.020 . 1 . . . . . 328 GLU H . 50873 1 379 . 1 . 1 45 45 GLU HA H 1 4.063 0.000 . 1 . . . . . 328 GLU HA . 50873 1 380 . 1 . 1 45 45 GLU HB2 H 1 2.199 0.000 . 1 . . . . . 328 GLU HB2 . 50873 1 381 . 1 . 1 45 45 GLU C C 13 179.619 0.000 . 1 . . . . . 328 GLU C . 50873 1 382 . 1 . 1 45 45 GLU CA C 13 59.707 0.014 . 1 . . . . . 328 GLU CA . 50873 1 383 . 1 . 1 45 45 GLU CB C 13 29.544 0.000 . 1 . . . . . 328 GLU CB . 50873 1 384 . 1 . 1 45 45 GLU N N 15 122.660 0.076 . 1 . . . . . 328 GLU N . 50873 1 385 . 1 . 1 46 46 LEU H H 1 8.638 0.022 . 1 . . . . . 329 LEU H . 50873 1 386 . 1 . 1 46 46 LEU HA H 1 4.067 0.000 . 1 . . . . . 329 LEU HA . 50873 1 387 . 1 . 1 46 46 LEU HB2 H 1 1.756 0.000 . 1 . . . . . 329 LEU HB2 . 50873 1 388 . 1 . 1 46 46 LEU HD11 H 1 1.003 0.000 . 2 . . . . . 329 LEU HD11 . 50873 1 389 . 1 . 1 46 46 LEU HD12 H 1 1.003 0.000 . 2 . . . . . 329 LEU HD12 . 50873 1 390 . 1 . 1 46 46 LEU HD13 H 1 1.003 0.000 . 2 . . . . . 329 LEU HD13 . 50873 1 391 . 1 . 1 46 46 LEU HD21 H 1 1.043 0.000 . 2 . . . . . 329 LEU HD21 . 50873 1 392 . 1 . 1 46 46 LEU HD22 H 1 1.043 0.000 . 2 . . . . . 329 LEU HD22 . 50873 1 393 . 1 . 1 46 46 LEU HD23 H 1 1.043 0.000 . 2 . . . . . 329 LEU HD23 . 50873 1 394 . 1 . 1 46 46 LEU C C 13 178.435 0.000 . 1 . . . . . 329 LEU C . 50873 1 395 . 1 . 1 46 46 LEU CA C 13 58.471 0.053 . 1 . . . . . 329 LEU CA . 50873 1 396 . 1 . 1 46 46 LEU CB C 13 42.463 0.095 . 1 . . . . . 329 LEU CB . 50873 1 397 . 1 . 1 46 46 LEU CD1 C 13 25.650 0.000 . 2 . . . . . 329 LEU CD1 . 50873 1 398 . 1 . 1 46 46 LEU CD2 C 13 25.058 0.000 . 2 . . . . . 329 LEU CD2 . 50873 1 399 . 1 . 1 46 46 LEU N N 15 121.282 0.061 . 1 . . . . . 329 LEU N . 50873 1 400 . 1 . 1 47 47 LYS H H 1 8.170 0.005 . 1 . . . . . 330 LYS H . 50873 1 401 . 1 . 1 47 47 LYS HB2 H 1 2.132 0.000 . 1 . . . . . 330 LYS HB2 . 50873 1 402 . 1 . 1 47 47 LYS C C 13 178.820 0.000 . 1 . . . . . 330 LYS C . 50873 1 403 . 1 . 1 47 47 LYS CA C 13 59.820 0.086 . 1 . . . . . 330 LYS CA . 50873 1 404 . 1 . 1 47 47 LYS CB C 13 32.447 0.000 . 1 . . . . . 330 LYS CB . 50873 1 405 . 1 . 1 47 47 LYS N N 15 118.828 0.046 . 1 . . . . . 330 LYS N . 50873 1 406 . 1 . 1 48 48 ALA H H 1 7.919 0.015 . 1 . . . . . 331 ALA H . 50873 1 407 . 1 . 1 48 48 ALA HA H 1 4.232 0.037 . 1 . . . . . 331 ALA HA . 50873 1 408 . 1 . 1 48 48 ALA HB1 H 1 1.556 0.043 . 1 . . . . . 331 ALA HB1 . 50873 1 409 . 1 . 1 48 48 ALA HB2 H 1 1.556 0.043 . 1 . . . . . 331 ALA HB2 . 50873 1 410 . 1 . 1 48 48 ALA HB3 H 1 1.556 0.043 . 1 . . . . . 331 ALA HB3 . 50873 1 411 . 1 . 1 48 48 ALA C C 13 180.757 0.000 . 1 . . . . . 331 ALA C . 50873 1 412 . 1 . 1 48 48 ALA CA C 13 54.898 0.035 . 1 . . . . . 331 ALA CA . 50873 1 413 . 1 . 1 48 48 ALA CB C 13 18.063 0.056 . 1 . . . . . 331 ALA CB . 50873 1 414 . 1 . 1 48 48 ALA N N 15 120.363 0.111 . 1 . . . . . 331 ALA N . 50873 1 415 . 1 . 1 49 49 LEU H H 1 8.126 0.020 . 1 . . . . . 332 LEU H . 50873 1 416 . 1 . 1 49 49 LEU HA H 1 4.126 0.071 . 1 . . . . . 332 LEU HA . 50873 1 417 . 1 . 1 49 49 LEU HB2 H 1 1.908 0.000 . 2 . . . . . 332 LEU HB2 . 50873 1 418 . 1 . 1 49 49 LEU HB3 H 1 1.778 0.038 . 2 . . . . . 332 LEU HB3 . 50873 1 419 . 1 . 1 49 49 LEU HD11 H 1 0.972 0.000 . 2 . . . . . 332 LEU HD11 . 50873 1 420 . 1 . 1 49 49 LEU HD12 H 1 0.972 0.000 . 2 . . . . . 332 LEU HD12 . 50873 1 421 . 1 . 1 49 49 LEU HD13 H 1 0.972 0.000 . 2 . . . . . 332 LEU HD13 . 50873 1 422 . 1 . 1 49 49 LEU HD21 H 1 1.022 0.000 . 2 . . . . . 332 LEU HD21 . 50873 1 423 . 1 . 1 49 49 LEU HD22 H 1 1.022 0.000 . 2 . . . . . 332 LEU HD22 . 50873 1 424 . 1 . 1 49 49 LEU HD23 H 1 1.022 0.000 . 2 . . . . . 332 LEU HD23 . 50873 1 425 . 1 . 1 49 49 LEU C C 13 178.694 0.000 . 1 . . . . . 332 LEU C . 50873 1 426 . 1 . 1 49 49 LEU CA C 13 57.658 0.045 . 1 . . . . . 332 LEU CA . 50873 1 427 . 1 . 1 49 49 LEU CB C 13 42.330 0.050 . 1 . . . . . 332 LEU CB . 50873 1 428 . 1 . 1 49 49 LEU CD1 C 13 25.096 0.000 . 2 . . . . . 332 LEU CD1 . 50873 1 429 . 1 . 1 49 49 LEU CD2 C 13 25.514 0.000 . 2 . . . . . 332 LEU CD2 . 50873 1 430 . 1 . 1 49 49 LEU N N 15 120.212 0.069 . 1 . . . . . 332 LEU N . 50873 1 431 . 1 . 1 50 50 LYS H H 1 8.414 0.019 . 1 . . . . . 333 LYS H . 50873 1 432 . 1 . 1 50 50 LYS C C 13 179.822 0.054 . 1 . . . . . 333 LYS C . 50873 1 433 . 1 . 1 50 50 LYS CA C 13 60.320 0.000 . 1 . . . . . 333 LYS CA . 50873 1 434 . 1 . 1 50 50 LYS CB C 13 32.211 0.000 . 1 . . . . . 333 LYS CB . 50873 1 435 . 1 . 1 50 50 LYS N N 15 118.633 0.022 . 1 . . . . . 333 LYS N . 50873 1 436 . 1 . 1 51 51 ASP H H 1 8.082 0.019 . 1 . . . . . 334 ASP H . 50873 1 437 . 1 . 1 51 51 ASP HA H 1 4.398 0.000 . 1 . . . . . 334 ASP HA . 50873 1 438 . 1 . 1 51 51 ASP HB2 H 1 2.711 0.000 . 2 . . . . . 334 ASP HB2 . 50873 1 439 . 1 . 1 51 51 ASP HB3 H 1 2.631 0.000 . 2 . . . . . 334 ASP HB3 . 50873 1 440 . 1 . 1 51 51 ASP C C 13 178.461 0.029 . 1 . . . . . 334 ASP C . 50873 1 441 . 1 . 1 51 51 ASP CA C 13 56.960 0.016 . 1 . . . . . 334 ASP CA . 50873 1 442 . 1 . 1 51 51 ASP CB C 13 40.733 0.000 . 1 . . . . . 334 ASP CB . 50873 1 443 . 1 . 1 51 51 ASP N N 15 118.955 0.040 . 1 . . . . . 334 ASP N . 50873 1 444 . 1 . 1 52 52 LEU H H 1 7.764 0.002 . 1 . . . . . 335 LEU H . 50873 1 445 . 1 . 1 52 52 LEU HA H 1 3.987 0.000 . 1 . . . . . 335 LEU HA . 50873 1 446 . 1 . 1 52 52 LEU HB2 H 1 1.412 0.000 . 2 . . . . . 335 LEU HB2 . 50873 1 447 . 1 . 1 52 52 LEU HB3 H 1 1.524 0.000 . 2 . . . . . 335 LEU HB3 . 50873 1 448 . 1 . 1 52 52 LEU HD11 H 1 0.735 0.044 . 2 . . . . . 335 LEU HD11 . 50873 1 449 . 1 . 1 52 52 LEU HD12 H 1 0.735 0.044 . 2 . . . . . 335 LEU HD12 . 50873 1 450 . 1 . 1 52 52 LEU HD13 H 1 0.735 0.044 . 2 . . . . . 335 LEU HD13 . 50873 1 451 . 1 . 1 52 52 LEU HD21 H 1 0.837 0.044 . 2 . . . . . 335 LEU HD21 . 50873 1 452 . 1 . 1 52 52 LEU HD22 H 1 0.837 0.044 . 2 . . . . . 335 LEU HD22 . 50873 1 453 . 1 . 1 52 52 LEU HD23 H 1 0.837 0.044 . 2 . . . . . 335 LEU HD23 . 50873 1 454 . 1 . 1 52 52 LEU C C 13 179.038 0.000 . 1 . . . . . 335 LEU C . 50873 1 455 . 1 . 1 52 52 LEU CA C 13 57.653 0.055 . 1 . . . . . 335 LEU CA . 50873 1 456 . 1 . 1 52 52 LEU CB C 13 42.268 0.000 . 1 . . . . . 335 LEU CB . 50873 1 457 . 1 . 1 52 52 LEU CD1 C 13 24.503 0.010 . 2 . . . . . 335 LEU CD1 . 50873 1 458 . 1 . 1 52 52 LEU CD2 C 13 23.990 0.024 . 2 . . . . . 335 LEU CD2 . 50873 1 459 . 1 . 1 52 52 LEU N N 15 121.415 0.022 . 1 . . . . . 335 LEU N . 50873 1 460 . 1 . 1 53 53 TYR H H 1 7.876 0.018 . 1 . . . . . 336 TYR H . 50873 1 461 . 1 . 1 53 53 TYR HA H 1 4.428 0.000 . 1 . . . . . 336 TYR HA . 50873 1 462 . 1 . 1 53 53 TYR HB2 H 1 2.784 0.000 . 2 . . . . . 336 TYR HB2 . 50873 1 463 . 1 . 1 53 53 TYR HB3 H 1 2.429 0.000 . 2 . . . . . 336 TYR HB3 . 50873 1 464 . 1 . 1 53 53 TYR CA C 13 58.452 0.011 . 1 . . . . . 336 TYR CA . 50873 1 465 . 1 . 1 53 53 TYR CB C 13 38.093 0.000 . 1 . . . . . 336 TYR CB . 50873 1 466 . 1 . 1 53 53 TYR N N 15 116.068 0.029 . 1 . . . . . 336 TYR N . 50873 1 467 . 1 . 1 54 54 SER H H 1 7.801 0.003 . 1 . . . . . 337 SER H . 50873 1 468 . 1 . 1 54 54 SER HA H 1 4.194 0.000 . 1 . . . . . 337 SER HA . 50873 1 469 . 1 . 1 54 54 SER HB2 H 1 3.933 0.000 . 1 . . . . . 337 SER HB2 . 50873 1 470 . 1 . 1 54 54 SER C C 13 174.251 0.000 . 1 . . . . . 337 SER C . 50873 1 471 . 1 . 1 54 54 SER CA C 13 59.218 0.010 . 1 . . . . . 337 SER CA . 50873 1 472 . 1 . 1 54 54 SER CB C 13 63.627 0.000 . 1 . . . . . 337 SER CB . 50873 1 473 . 1 . 1 54 54 SER N N 15 114.751 0.032 . 1 . . . . . 337 SER N . 50873 1 474 . 1 . 1 55 55 HIS H H 1 8.054 0.019 . 1 . . . . . 338 HIS H . 50873 1 475 . 1 . 1 55 55 HIS HA H 1 4.690 0.013 . 1 . . . . . 338 HIS HA . 50873 1 476 . 1 . 1 55 55 HIS HB2 H 1 3.350 0.058 . 2 . . . . . 338 HIS HB2 . 50873 1 477 . 1 . 1 55 55 HIS HB3 H 1 3.209 0.059 . 2 . . . . . 338 HIS HB3 . 50873 1 478 . 1 . 1 55 55 HIS C C 13 173.782 0.000 . 1 . . . . . 338 HIS C . 50873 1 479 . 1 . 1 55 55 HIS CA C 13 55.686 0.010 . 1 . . . . . 338 HIS CA . 50873 1 480 . 1 . 1 55 55 HIS CB C 13 29.443 0.015 . 1 . . . . . 338 HIS CB . 50873 1 481 . 1 . 1 55 55 HIS N N 15 119.762 0.078 . 1 . . . . . 338 HIS N . 50873 1 482 . 1 . 1 56 56 LYS H H 1 7.921 0.023 . 1 . . . . . 339 LYS H . 50873 1 483 . 1 . 1 56 56 LYS C C 13 181.661 0.000 . 1 . . . . . 339 LYS C . 50873 1 484 . 1 . 1 56 56 LYS CA C 13 57.890 0.000 . 1 . . . . . 339 LYS CA . 50873 1 485 . 1 . 1 56 56 LYS N N 15 128.069 0.065 . 1 . . . . . 339 LYS N . 50873 1 stop_ save_