data_12033 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 12033 _Entry.Title ; c-MYC 353-437 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-02-27 _Entry.Accession_date 2019-03-13 _Entry.Last_release_date 2019-03-13 _Entry.Original_release_date 2019-03-13 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _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 Giovanna Zinzalla . . . . 12033 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 12033 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 175 12033 '15N chemical shifts' 54 12033 '1H chemical shifts' 54 12033 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 . . 2019-07-23 . original BMRB . 12033 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 12033 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1021/acs.biochem.9b00296 _Citation.PubMed_ID 31260268 _Citation.Full_citation . _Citation.Title ; Crystal Structures and Nuclear Magnetic Resonance Studies of the Apo Form of the c-MYC:MAX bHLHZip Complex Reveal a Helical Basic Region in the Absence of DNA. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-4995 _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 2019 _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 Susan Sammak . S . . 12033 1 2 Najoua Hamdani . N . . 12033 1 3 Fabrice Gorrec . F . . 12033 1 4 'Mark D' Allen . MD . . 12033 1 5 'Stefan M V' Freund . SMV . . 12033 1 6 Mark Bycroft . M . . 12033 1 7 Giovanna Zinzalla . G . . 12033 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 12033 _Assembly.ID 1 _Assembly.Name c-MYC _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 12546 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 c-MYC 1 $c-MYC A . yes 'intrinsically disordered' no no . . . 12033 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_c-MYC _Entity.Sf_category entity _Entity.Sf_framecode c-MYC _Entity.Entry_ID 12033 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name c-MYC _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 ; MGSSHHHHHHSSGLVPRGSH MNVKRRTHNVLERQRRNELK RSFFALRDQIPELENNEKAP KVVILKKATAYILSVQAEEQ KLISEEDLLRKRREQLKHKL EQLRNS ; _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 106 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 12033 1 2 2 GLY . 12033 1 3 3 SER . 12033 1 4 4 SER . 12033 1 5 5 HIS . 12033 1 6 6 HIS . 12033 1 7 7 HIS . 12033 1 8 8 HIS . 12033 1 9 9 HIS . 12033 1 10 10 HIS . 12033 1 11 11 SER . 12033 1 12 12 SER . 12033 1 13 13 GLY . 12033 1 14 14 LEU . 12033 1 15 15 VAL . 12033 1 16 16 PRO . 12033 1 17 17 ARG . 12033 1 18 18 GLY . 12033 1 19 19 SER . 12033 1 20 20 HIS . 12033 1 21 21 MET . 12033 1 22 22 ASN . 12033 1 23 23 VAL . 12033 1 24 24 LYS . 12033 1 25 25 ARG . 12033 1 26 26 ARG . 12033 1 27 27 THR . 12033 1 28 28 HIS . 12033 1 29 29 ASN . 12033 1 30 30 VAL . 12033 1 31 31 LEU . 12033 1 32 32 GLU . 12033 1 33 33 ARG . 12033 1 34 34 GLN . 12033 1 35 35 ARG . 12033 1 36 36 ARG . 12033 1 37 37 ASN . 12033 1 38 38 GLU . 12033 1 39 39 LEU . 12033 1 40 40 LYS . 12033 1 41 41 ARG . 12033 1 42 42 SER . 12033 1 43 43 PHE . 12033 1 44 44 PHE . 12033 1 45 45 ALA . 12033 1 46 46 LEU . 12033 1 47 47 ARG . 12033 1 48 48 ASP . 12033 1 49 49 GLN . 12033 1 50 50 ILE . 12033 1 51 51 PRO . 12033 1 52 52 GLU . 12033 1 53 53 LEU . 12033 1 54 54 GLU . 12033 1 55 55 ASN . 12033 1 56 56 ASN . 12033 1 57 57 GLU . 12033 1 58 58 LYS . 12033 1 59 59 ALA . 12033 1 60 60 PRO . 12033 1 61 61 LYS . 12033 1 62 62 VAL . 12033 1 63 63 VAL . 12033 1 64 64 ILE . 12033 1 65 65 LEU . 12033 1 66 66 LYS . 12033 1 67 67 LYS . 12033 1 68 68 ALA . 12033 1 69 69 THR . 12033 1 70 70 ALA . 12033 1 71 71 TYR . 12033 1 72 72 ILE . 12033 1 73 73 LEU . 12033 1 74 74 SER . 12033 1 75 75 VAL . 12033 1 76 76 GLN . 12033 1 77 77 ALA . 12033 1 78 78 GLU . 12033 1 79 79 GLU . 12033 1 80 80 GLN . 12033 1 81 81 LYS . 12033 1 82 82 LEU . 12033 1 83 83 ILE . 12033 1 84 84 SER . 12033 1 85 85 GLU . 12033 1 86 86 GLU . 12033 1 87 87 ASP . 12033 1 88 88 LEU . 12033 1 89 89 LEU . 12033 1 90 90 ARG . 12033 1 91 91 LYS . 12033 1 92 92 ARG . 12033 1 93 93 ARG . 12033 1 94 94 GLU . 12033 1 95 95 GLN . 12033 1 96 96 LEU . 12033 1 97 97 LYS . 12033 1 98 98 HIS . 12033 1 99 99 LYS . 12033 1 100 100 LEU . 12033 1 101 101 GLU . 12033 1 102 102 GLN . 12033 1 103 103 LEU . 12033 1 104 104 ARG . 12033 1 105 105 ASN . 12033 1 106 106 SER . 12033 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 12033 1 . GLY 2 2 12033 1 . SER 3 3 12033 1 . SER 4 4 12033 1 . HIS 5 5 12033 1 . HIS 6 6 12033 1 . HIS 7 7 12033 1 . HIS 8 8 12033 1 . HIS 9 9 12033 1 . HIS 10 10 12033 1 . SER 11 11 12033 1 . SER 12 12 12033 1 . GLY 13 13 12033 1 . LEU 14 14 12033 1 . VAL 15 15 12033 1 . PRO 16 16 12033 1 . ARG 17 17 12033 1 . GLY 18 18 12033 1 . SER 19 19 12033 1 . HIS 20 20 12033 1 . MET 21 21 12033 1 . ASN 22 22 12033 1 . VAL 23 23 12033 1 . LYS 24 24 12033 1 . ARG 25 25 12033 1 . ARG 26 26 12033 1 . THR 27 27 12033 1 . HIS 28 28 12033 1 . ASN 29 29 12033 1 . VAL 30 30 12033 1 . LEU 31 31 12033 1 . GLU 32 32 12033 1 . ARG 33 33 12033 1 . GLN 34 34 12033 1 . ARG 35 35 12033 1 . ARG 36 36 12033 1 . ASN 37 37 12033 1 . GLU 38 38 12033 1 . LEU 39 39 12033 1 . LYS 40 40 12033 1 . ARG 41 41 12033 1 . SER 42 42 12033 1 . PHE 43 43 12033 1 . PHE 44 44 12033 1 . ALA 45 45 12033 1 . LEU 46 46 12033 1 . ARG 47 47 12033 1 . ASP 48 48 12033 1 . GLN 49 49 12033 1 . ILE 50 50 12033 1 . PRO 51 51 12033 1 . GLU 52 52 12033 1 . LEU 53 53 12033 1 . GLU 54 54 12033 1 . ASN 55 55 12033 1 . ASN 56 56 12033 1 . GLU 57 57 12033 1 . LYS 58 58 12033 1 . ALA 59 59 12033 1 . PRO 60 60 12033 1 . LYS 61 61 12033 1 . VAL 62 62 12033 1 . VAL 63 63 12033 1 . ILE 64 64 12033 1 . LEU 65 65 12033 1 . LYS 66 66 12033 1 . LYS 67 67 12033 1 . ALA 68 68 12033 1 . THR 69 69 12033 1 . ALA 70 70 12033 1 . TYR 71 71 12033 1 . ILE 72 72 12033 1 . LEU 73 73 12033 1 . SER 74 74 12033 1 . VAL 75 75 12033 1 . GLN 76 76 12033 1 . ALA 77 77 12033 1 . GLU 78 78 12033 1 . GLU 79 79 12033 1 . GLN 80 80 12033 1 . LYS 81 81 12033 1 . LEU 82 82 12033 1 . ILE 83 83 12033 1 . SER 84 84 12033 1 . GLU 85 85 12033 1 . GLU 86 86 12033 1 . ASP 87 87 12033 1 . LEU 88 88 12033 1 . LEU 89 89 12033 1 . ARG 90 90 12033 1 . LYS 91 91 12033 1 . ARG 92 92 12033 1 . ARG 93 93 12033 1 . GLU 94 94 12033 1 . GLN 95 95 12033 1 . LEU 96 96 12033 1 . LYS 97 97 12033 1 . HIS 98 98 12033 1 . LYS 99 99 12033 1 . LEU 100 100 12033 1 . GLU 101 101 12033 1 . GLN 102 102 12033 1 . LEU 103 103 12033 1 . ARG 104 104 12033 1 . ASN 105 105 12033 1 . SER 106 106 12033 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 12033 _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 $c-MYC . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 12033 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 12033 _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 $c-MYC . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . pRSETA . . . 12033 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 12033 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 c-MYC '[U-99% 13C; U-99% 15N]' 1 $assembly 1 $c-MYC . protein 80 . . uM . . . . 12033 1 2 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 12033 1 3 D2O [U-2H] . . . . . solvent 10 . . % . . . . 12033 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 12033 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 12033 1 pH 7.0 . pH 12033 1 pressure 1 . atm 12033 1 temperature 278 . K 12033 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 12033 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 12033 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 12033 1 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 12033 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model ARX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 12033 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker ARX . 800 . . . 12033 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 12033 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12033 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12033 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12033 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12033 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12033 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 12033 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 na indirect 0.251449530 . . . . . 12033 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . 12033 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 12033 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 12033 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 12033 1 2 '3D HNCO' 1 $sample_1 isotropic 12033 1 3 '3D CBCA(CO)NH' 1 $sample_1 isotropic 12033 1 4 '3D HNCACB' 1 $sample_1 isotropic 12033 1 5 '3D HNCA' 1 $sample_1 isotropic 12033 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 3 3 SER CA C 13 58.595 . . 1 . . . . . 3 S CA . 12033 1 2 . 1 1 3 3 SER CB C 13 64.135 . . 1 . . . . . 3 S CB . 12033 1 3 . 1 1 4 4 SER H H 1 8.454 . . 1 . . . . . 4 S HN . 12033 1 4 . 1 1 4 4 SER CA C 13 58.805 . . 1 . . . . . 4 S CA . 12033 1 5 . 1 1 4 4 SER CB C 13 63.965 . . 1 . . . . . 4 S CB . 12033 1 6 . 1 1 4 4 SER N N 15 117.538 . . 1 . . . . . 4 S N . 12033 1 7 . 1 1 11 11 SER C C 13 175.043 . . 1 . . . . . 11 S CO . 12033 1 8 . 1 1 11 11 SER CA C 13 58.741 . . 1 . . . . . 11 S CA . 12033 1 9 . 1 1 11 11 SER CB C 13 64.001 . . 1 . . . . . 11 S CB . 12033 1 10 . 1 1 12 12 SER H H 1 8.396 . . 1 . . . . . 12 S HN . 12033 1 11 . 1 1 12 12 SER C C 13 175.333 . . 1 . . . . . 12 S CO . 12033 1 12 . 1 1 12 12 SER CA C 13 59.053 . . 1 . . . . . 12 S CA . 12033 1 13 . 1 1 12 12 SER CB C 13 64.053 . . 1 . . . . . 12 S CB . 12033 1 14 . 1 1 12 12 SER N N 15 117.94 . . 1 . . . . . 12 S N . 12033 1 15 . 1 1 13 13 GLY H H 1 8.257 . . 1 . . . . . 13 G HN . 12033 1 16 . 1 1 13 13 GLY C C 13 174.166 . . 1 . . . . . 13 G CO . 12033 1 17 . 1 1 13 13 GLY CA C 13 45.489 . . 1 . . . . . 13 G CA . 12033 1 18 . 1 1 13 13 GLY N N 15 110.254 . . 1 . . . . . 13 G N . 12033 1 19 . 1 1 14 14 LEU H H 1 7.924 . . 1 . . . . . 14 L HN . 12033 1 20 . 1 1 14 14 LEU C C 13 177.586 . . 1 . . . . . 14 L CO . 12033 1 21 . 1 1 14 14 LEU CA C 13 55.33 . . 1 . . . . . 14 L CA . 12033 1 22 . 1 1 14 14 LEU CB C 13 42.555 . . 1 . . . . . 14 L CB . 12033 1 23 . 1 1 14 14 LEU N N 15 121.015 . . 1 . . . . . 14 L N . 12033 1 24 . 1 1 15 15 VAL H H 1 8.033 . . 1 . . . . . 15 V HN . 12033 1 25 . 1 1 15 15 VAL CA C 13 60.139 . . 1 . . . . . 15 V CA . 12033 1 26 . 1 1 15 15 VAL CB C 13 32.842 . . 1 . . . . . 15 V CB . 12033 1 27 . 1 1 15 15 VAL N N 15 122.799 . . 1 . . . . . 15 V N . 12033 1 28 . 1 1 16 16 PRO C C 13 177.213 . . 1 . . . . . 16 P CO . 12033 1 29 . 1 1 16 16 PRO CA C 13 63.331 . . 1 . . . . . 16 P CA . 12033 1 30 . 1 1 16 16 PRO CB C 13 32.404 . . 1 . . . . . 16 P CB . 12033 1 31 . 1 1 17 17 ARG H H 1 8.418 . . 1 . . . . . 17 R HN . 12033 1 32 . 1 1 17 17 ARG C C 13 177.407 . . 1 . . . . . 17 R CO . 12033 1 33 . 1 1 17 17 ARG CA C 13 56.739 . . 1 . . . . . 17 R CA . 12033 1 34 . 1 1 17 17 ARG CB C 13 31.106 . . 1 . . . . . 17 R CB . 12033 1 35 . 1 1 17 17 ARG N N 15 121.924 . . 1 . . . . . 17 R N . 12033 1 36 . 1 1 18 18 GLY H H 1 8.401 . . 1 . . . . . 18 G HN . 12033 1 37 . 1 1 18 18 GLY C C 13 174.578 . . 1 . . . . . 18 G CO . 12033 1 38 . 1 1 18 18 GLY CA C 13 45.513 . . 1 . . . . . 18 G CA . 12033 1 39 . 1 1 18 18 GLY N N 15 110.1 . . 1 . . . . . 18 G N . 12033 1 40 . 1 1 19 19 SER H H 1 8.129 . . 1 . . . . . 19 S HN . 12033 1 41 . 1 1 19 19 SER CA C 13 58.901 . . 1 . . . . . 19 S CA . 12033 1 42 . 1 1 19 19 SER CB C 13 64.044 . . 1 . . . . . 19 S CB . 12033 1 43 . 1 1 19 19 SER N N 15 115.309 . . 1 . . . . . 19 S N . 12033 1 44 . 1 1 20 20 HIS C C 13 175.67 . . 1 . . . . . 20 H CO . 12033 1 45 . 1 1 20 20 HIS CA C 13 56.678 . . 1 . . . . . 20 H CA . 12033 1 46 . 1 1 20 20 HIS CB C 13 30.53 . . 1 . . . . . 20 H CB . 12033 1 47 . 1 1 21 21 MET H H 1 8.053 . . 1 . . . . . 21 M HN . 12033 1 48 . 1 1 21 21 MET CA C 13 55.825 . . 1 . . . . . 21 M CA . 12033 1 49 . 1 1 21 21 MET CB C 13 32.825 . . 1 . . . . . 21 M CB . 12033 1 50 . 1 1 21 21 MET N N 15 120.476 . . 1 . . . . . 21 M N . 12033 1 51 . 1 1 22 22 ASN H H 1 8.364 . . 1 . . . . . 22 N HN . 12033 1 52 . 1 1 22 22 ASN C C 13 175.497 . . 1 . . . . . 22 N CO . 12033 1 53 . 1 1 22 22 ASN CA C 13 53.54 . . 1 . . . . . 22 N CA . 12033 1 54 . 1 1 22 22 ASN CB C 13 38.911 . . 1 . . . . . 22 N CB . 12033 1 55 . 1 1 22 22 ASN N N 15 119.823 . . 1 . . . . . 22 N N . 12033 1 56 . 1 1 23 23 VAL H H 1 7.927 . . 1 . . . . . 23 V HN . 12033 1 57 . 1 1 23 23 VAL C C 13 176.559 . . 1 . . . . . 23 V CO . 12033 1 58 . 1 1 23 23 VAL CA C 13 62.929 . . 1 . . . . . 23 V CA . 12033 1 59 . 1 1 23 23 VAL CB C 13 32.945 . . 1 . . . . . 23 V CB . 12033 1 60 . 1 1 23 23 VAL N N 15 120.385 . . 1 . . . . . 23 V N . 12033 1 61 . 1 1 24 24 LYS H H 1 8.247 . . 1 . . . . . 24 K HN . 12033 1 62 . 1 1 24 24 LYS C C 13 176.935 . . 1 . . . . . 24 K CO . 12033 1 63 . 1 1 24 24 LYS CA C 13 56.796 . . 1 . . . . . 24 K CA . 12033 1 64 . 1 1 24 24 LYS CB C 13 33.04 . . 1 . . . . . 24 K CB . 12033 1 65 . 1 1 24 24 LYS N N 15 124.8 . . 1 . . . . . 24 K N . 12033 1 66 . 1 1 25 25 ARG H H 1 8.21 . . 1 . . . . . 25 R HN . 12033 1 67 . 1 1 25 25 ARG C C 13 176.643 . . 1 . . . . . 25 R CO . 12033 1 68 . 1 1 25 25 ARG CA C 13 56.425 . . 1 . . . . . 25 R CA . 12033 1 69 . 1 1 25 25 ARG CB C 13 31.071 . . 1 . . . . . 25 R CB . 12033 1 70 . 1 1 25 25 ARG N N 15 122.515 . . 1 . . . . . 25 R N . 12033 1 71 . 1 1 26 26 ARG H H 1 8.351 . . 1 . . . . . 26 R HN . 12033 1 72 . 1 1 26 26 ARG C C 13 176.87 . . 1 . . . . . 26 R CO . 12033 1 73 . 1 1 26 26 ARG CA C 13 56.596 . . 1 . . . . . 26 R CA . 12033 1 74 . 1 1 26 26 ARG CB C 13 31.08 . . 1 . . . . . 26 R CB . 12033 1 75 . 1 1 26 26 ARG N N 15 122.66 . . 1 . . . . . 26 R N . 12033 1 76 . 1 1 27 27 THR H H 1 8.106 . . 1 . . . . . 27 T HN . 12033 1 77 . 1 1 27 27 THR C C 13 176.709 . . 1 . . . . . 27 T CO . 12033 1 78 . 1 1 27 27 THR CA C 13 62.3 . . 1 . . . . . 27 T CA . 12033 1 79 . 1 1 27 27 THR CB C 13 70.13 . . 1 . . . . . 27 T CB . 12033 1 80 . 1 1 27 27 THR N N 15 115.135 . . 1 . . . . . 27 T N . 12033 1 81 . 1 1 28 28 HIS H H 1 8.266 . . 1 . . . . . 28 H HN . 12033 1 82 . 1 1 28 28 HIS C C 13 175.318 . . 1 . . . . . 28 H CO . 12033 1 83 . 1 1 28 28 HIS CA C 13 56.625 . . 1 . . . . . 28 H CA . 12033 1 84 . 1 1 28 28 HIS CB C 13 31.063 . . 1 . . . . . 28 H CB . 12033 1 85 . 1 1 28 28 HIS N N 15 121.524 . . 1 . . . . . 28 H N . 12033 1 86 . 1 1 29 29 ASN H H 1 8.374 . . 1 . . . . . 29 N HN . 12033 1 87 . 1 1 29 29 ASN C C 13 175.915 . . 1 . . . . . 29 N CO . 12033 1 88 . 1 1 29 29 ASN CA C 13 53.759 . . 1 . . . . . 29 N CA . 12033 1 89 . 1 1 29 29 ASN CB C 13 38.996 . . 1 . . . . . 29 N CB . 12033 1 90 . 1 1 29 29 ASN N N 15 120.22 . . 1 . . . . . 29 N N . 12033 1 91 . 1 1 30 30 VAL H H 1 8.067 . . 1 . . . . . 30 V HN . 12033 1 92 . 1 1 30 30 VAL C C 13 177.156 . . 1 . . . . . 30 V CO . 12033 1 93 . 1 1 30 30 VAL CA C 13 64.271 . . 1 . . . . . 30 V CA . 12033 1 94 . 1 1 30 30 VAL CB C 13 32.567 . . 1 . . . . . 30 V CB . 12033 1 95 . 1 1 30 30 VAL N N 15 120.968 . . 1 . . . . . 30 V N . 12033 1 96 . 1 1 31 31 LEU H H 1 8.051 . . 1 . . . . . 31 L HN . 12033 1 97 . 1 1 31 31 LEU C C 13 178.636 . . 1 . . . . . 31 L CO . 12033 1 98 . 1 1 31 31 LEU CA C 13 56.463 . . 1 . . . . . 31 L CA . 12033 1 99 . 1 1 31 31 LEU CB C 13 42.125 . . 1 . . . . . 31 L CB . 12033 1 100 . 1 1 31 31 LEU N N 15 123.32 . . 1 . . . . . 31 L N . 12033 1 101 . 1 1 32 32 GLU H H 1 8.098 . . 1 . . . . . 32 E HN . 12033 1 102 . 1 1 32 32 GLU C C 13 177.80 . . 1 . . . . . 32 E CO . 12033 1 103 . 1 1 32 32 GLU CA C 13 57.863 . . 1 . . . . . 32 E CA . 12033 1 104 . 1 1 32 32 GLU CB C 13 30.074 . . 1 . . . . . 32 E CB . 12033 1 105 . 1 1 32 32 GLU N N 15 120.842 . . 1 . . . . . 32 E N . 12033 1 106 . 1 1 33 33 ARG H H 1 8.056 . . 1 . . . . . 33 R HN . 12033 1 107 . 1 1 33 33 ARG C C 13 177.61 . . 1 . . . . . 33 R CO . 12033 1 108 . 1 1 33 33 ARG CA C 13 57.911 . . 1 . . . . . 33 R CA . 12033 1 109 . 1 1 33 33 ARG CB C 13 30.77 . . 1 . . . . . 33 R CB . 12033 1 110 . 1 1 33 33 ARG N N 15 120.652 . . 1 . . . . . 33 R N . 12033 1 111 . 1 1 34 34 GLN H H 1 8.101 . . 1 . . . . . 34 Q HN . 12033 1 112 . 1 1 34 34 GLN C C 13 177.385 . . 1 . . . . . 34 Q CO . 12033 1 113 . 1 1 34 34 GLN CA C 13 57.425 . . 1 . . . . . 34 Q CA . 12033 1 114 . 1 1 34 34 GLN CB C 13 29.105 . . 1 . . . . . 34 Q CB . 12033 1 115 . 1 1 34 34 GLN N N 15 119.848 . . 1 . . . . . 34 Q N . 12033 1 116 . 1 1 35 35 ARG H H 1 8.143 . . 1 . . . . . 35 R HN . 12033 1 117 . 1 1 35 35 ARG C C 13 177.407 . . 1 . . . . . 35 R CO . 12033 1 118 . 1 1 35 35 ARG CA C 13 57.549 . . 1 . . . . . 35 R CA . 12033 1 119 . 1 1 35 35 ARG CB C 13 30.796 . . 1 . . . . . 35 R CB . 12033 1 120 . 1 1 35 35 ARG N N 15 121.222 . . 1 . . . . . 35 R N . 12033 1 121 . 1 1 36 36 ARG H H 1 8.143 . . 1 . . . . . 36 R HN . 12033 1 122 . 1 1 36 36 ARG C C 13 177.538 . . 1 . . . . . 36 R CO . 12033 1 123 . 1 1 36 36 ARG CA C 13 57.812 . . 1 . . . . . 36 R CA . 12033 1 124 . 1 1 36 36 ARG CB C 13 30.788 . . 1 . . . . . 36 R CB . 12033 1 125 . 1 1 36 36 ARG N N 15 121.222 . . 1 . . . . . 36 R N . 12033 1 126 . 1 1 37 37 ASN H H 1 8.237 . . 1 . . . . . 37 N HN . 12033 1 127 . 1 1 37 37 ASN C C 13 176.434 . . 1 . . . . . 37 N CO . 12033 1 128 . 1 1 37 37 ASN CA C 13 54.473 . . 1 . . . . . 37 N CA . 12033 1 129 . 1 1 37 37 ASN CB C 13 38.549 . . 1 . . . . . 37 N CB . 12033 1 130 . 1 1 37 37 ASN N N 15 118.78 . . 1 . . . . . 37 N N . 12033 1 131 . 1 1 38 38 GLU H H 1 8.143 . . 1 . . . . . 38 E HN . 12033 1 132 . 1 1 38 38 GLU C C 13 177.556 . . 1 . . . . . 38 E CO . 12033 1 133 . 1 1 38 38 GLU CA C 13 57.701 . . 1 . . . . . 38 E CA . 12033 1 134 . 1 1 38 38 GLU CB C 13 30.126 . . 1 . . . . . 38 E CB . 12033 1 135 . 1 1 38 38 GLU N N 15 120.73 . . 1 . . . . . 38 E N . 12033 1 136 . 1 1 39 39 LEU H H 1 7.929 . . 1 . . . . . 39 L HN . 12033 1 137 . 1 1 39 39 LEU C C 13 178.29 . . 1 . . . . . 39 L CO . 12033 1 138 . 1 1 39 39 LEU CA C 13 56.216 . . 1 . . . . . 39 L CA . 12033 1 139 . 1 1 39 39 LEU CB C 13 42.383 . . 1 . . . . . 39 L CB . 12033 1 140 . 1 1 39 39 LEU N N 15 121.534 . . 1 . . . . . 39 L N . 12033 1 141 . 1 1 40 40 LYS H H 1 7.929 . . 1 . . . . . 40 K HN . 12033 1 142 . 1 1 40 40 LYS C C 13 177.264 . . 1 . . . . . 40 K CO . 12033 1 143 . 1 1 40 40 LYS CA C 13 57.244 . . 1 . . . . . 40 K CA . 12033 1 144 . 1 1 40 40 LYS CB C 13 32.928 . . 1 . . . . . 40 K CB . 12033 1 145 . 1 1 40 40 LYS N N 15 120.732 . . 1 . . . . . 40 K N . 12033 1 146 . 1 1 41 41 ARG H H 1 8.036 . . 1 . . . . . 41 R HN . 12033 1 147 . 1 1 41 41 ARG C C 13 177.12 . . 1 . . . . . 41 R CO . 12033 1 148 . 1 1 41 41 ARG CA C 13 57.082 . . 1 . . . . . 41 R CA . 12033 1 149 . 1 1 41 41 ARG CB C 13 31.003 . . 1 . . . . . 41 R CB . 12033 1 150 . 1 1 41 41 ARG N N 15 120.821 . . 1 . . . . . 41 R N . 12033 1 151 . 1 1 42 42 SER H H 1 8.094 . . 1 . . . . . 42 S HN . 12033 1 152 . 1 1 42 42 SER C C 13 174.691 . . 1 . . . . . 42 S CO . 12033 1 153 . 1 1 42 42 SER CA C 13 58.964 . . 1 . . . . . 42 S CA . 12033 1 154 . 1 1 42 42 SER CB C 13 63.881 . . 1 . . . . . 42 S CB . 12033 1 155 . 1 1 42 42 SER N N 15 115.983 . . 1 . . . . . 42 S N . 12033 1 156 . 1 1 43 43 PHE H H 1 7.999 . . 1 . . . . . 43 F HN . 12033 1 157 . 1 1 43 43 PHE C C 13 178.062 . . 1 . . . . . 43 F CO . 12033 1 158 . 1 1 43 43 PHE CA C 13 58.918 . . 1 . . . . . 43 F CA . 12033 1 159 . 1 1 43 43 PHE CB C 13 39.796 . . 1 . . . . . 43 F CB . 12033 1 160 . 1 1 43 43 PHE N N 15 121.76 . . 1 . . . . . 43 F N . 12033 1 161 . 1 1 44 44 PHE H H 1 7.911 . . 1 . . . . . 44 F HN . 12033 1 162 . 1 1 44 44 PHE C C 13 175.7 . . 1 . . . . . 44 F CO . 12033 1 163 . 1 1 44 44 PHE CA C 13 58.259 . . 1 . . . . . 44 F CA . 12033 1 164 . 1 1 44 44 PHE CB C 13 39.693 . . 1 . . . . . 44 F CB . 12033 1 165 . 1 1 44 44 PHE N N 15 120.319 . . 1 . . . . . 44 F N . 12033 1 166 . 1 1 45 45 ALA H H 1 7.93 . . 1 . . . . . 45 A HN . 12033 1 167 . 1 1 45 45 ALA C C 13 176.028 . . 1 . . . . . 45 A CO . 12033 1 168 . 1 1 45 45 ALA CA C 13 53.016 . . 1 . . . . . 45 A CA . 12033 1 169 . 1 1 45 45 ALA CB C 13 19.424 . . 1 . . . . . 45 A CB . 12033 1 170 . 1 1 45 45 ALA N N 15 124.238 . . 1 . . . . . 45 A N . 12033 1 171 . 1 1 46 46 LEU H H 1 7.91 . . 1 . . . . . 46 L HN . 12033 1 172 . 1 1 46 46 LEU C C 13 178.111 . . 1 . . . . . 46 L CO . 12033 1 173 . 1 1 46 46 LEU CA C 13 55.801 . . 1 . . . . . 46 L CA . 12033 1 174 . 1 1 46 46 LEU CB C 13 42.323 . . 1 . . . . . 46 L CB . 12033 1 175 . 1 1 46 46 LEU N N 15 120.266 . . 1 . . . . . 46 L N . 12033 1 176 . 1 1 47 47 ARG H H 1 7.999 . . 1 . . . . . 47 R HN . 12033 1 177 . 1 1 47 47 ARG C C 13 176.488 . . 1 . . . . . 47 R CO . 12033 1 178 . 1 1 47 47 ARG CA C 13 56.739 . . 1 . . . . . 47 R CA . 12033 1 179 . 1 1 47 47 ARG CB C 13 30.968 . . 1 . . . . . 47 R CB . 12033 1 180 . 1 1 47 47 ARG N N 15 120.296 . . 1 . . . . . 47 R N . 12033 1 181 . 1 1 48 48 ASP H H 1 8.096 . . 1 . . . . . 48 D HN . 12033 1 182 . 1 1 48 48 ASP C C 13 176.213 . . 1 . . . . . 48 D CO . 12033 1 183 . 1 1 48 48 ASP CA C 13 54.882 . . 1 . . . . . 48 D CA . 12033 1 184 . 1 1 48 48 ASP CB C 13 41.197 . . 1 . . . . . 48 D CB . 12033 1 185 . 1 1 48 48 ASP N N 15 119.607 . . 1 . . . . . 48 D N . 12033 1 186 . 1 1 49 49 GLN H H 1 7.969 . . 1 . . . . . 49 Q HN . 12033 1 187 . 1 1 49 49 GLN C C 13 175.968 . . 1 . . . . . 49 Q CO . 12033 1 188 . 1 1 49 49 GLN CA C 13 55.816 . . 1 . . . . . 49 Q CA . 12033 1 189 . 1 1 49 49 GLN CB C 13 29.816 . . 1 . . . . . 49 Q CB . 12033 1 190 . 1 1 49 49 GLN N N 15 119.221 . . 1 . . . . . 49 Q N . 12033 1 191 . 1 1 50 50 ILE H H 1 8.132 . . 1 . . . . . 50 I HN . 12033 1 192 . 1 1 50 50 ILE C C 13 174.994 . . 1 . . . . . 50 I CO . 12033 1 193 . 1 1 50 50 ILE CA C 13 59.263 . . 1 . . . . . 50 I CA . 12033 1 194 . 1 1 50 50 ILE CB C 13 38.567 . . 1 . . . . . 50 I CB . 12033 1 195 . 1 1 50 50 ILE N N 15 123.91 . . 1 . . . . . 50 I N . 12033 1 196 . 1 1 51 51 PRO C C 13 177.174 . . 1 . . . . . 51 P CO . 12033 1 197 . 1 1 51 51 PRO CA C 13 63.554 . . 1 . . . . . 51 P CA . 12033 1 198 . 1 1 51 51 PRO CB C 13 32.472 . . 1 . . . . . 51 P CB . 12033 1 199 . 1 1 52 52 GLU H H 1 8.384 . . 1 . . . . . 52 E HN . 12033 1 200 . 1 1 52 52 GLU C C 13 176.911 . . 1 . . . . . 52 E CO . 12033 1 201 . 1 1 52 52 GLU CA C 13 56.901 . . 1 . . . . . 52 E CA . 12033 1 202 . 1 1 52 52 GLU CB C 13 30.401 . . 1 . . . . . 52 E CB . 12033 1 203 . 1 1 52 52 GLU N N 15 120.876 . . 1 . . . . . 52 E N . 12033 1 204 . 1 1 53 53 LEU H H 1 8.15 . . 1 . . . . . 53 L HN . 12033 1 205 . 1 1 53 53 LEU C C 13 177.783 . . 1 . . . . . 53 L CO . 12033 1 206 . 1 1 53 53 LEU CA C 13 55.435 . . 1 . . . . . 53 L CA . 12033 1 207 . 1 1 53 53 LEU CB C 13 42.658 . . 1 . . . . . 53 L CB . 12033 1 208 . 1 1 53 53 LEU N N 15 122.731 . . 1 . . . . . 53 L N . 12033 1 209 . 1 1 54 54 GLU H H 1 8.276 . . 1 . . . . . 54 E HN . 12033 1 210 . 1 1 54 54 GLU C C 13 176.47 . . 1 . . . . . 54 E CO . 12033 1 211 . 1 1 54 54 GLU CA C 13 56.835 . . 1 . . . . . 54 E CA . 12033 1 212 . 1 1 54 54 GLU CB C 13 30.538 . . 1 . . . . . 54 E CB . 12033 1 213 . 1 1 54 54 GLU N N 15 121.284 . . 1 . . . . . 54 E N . 12033 1 214 . 1 1 55 55 ASN H H 1 8.366 . . 1 . . . . . 55 N HN . 12033 1 215 . 1 1 55 55 ASN C C 13 175.354 . . 1 . . . . . 55 N CO . 12033 1 216 . 1 1 55 55 ASN CA C 13 53.587 . . 1 . . . . . 55 N CA . 12033 1 217 . 1 1 55 55 ASN CB C 13 39.134 . . 1 . . . . . 55 N CB . 12033 1 218 . 1 1 55 55 ASN N N 15 119.444 . . 1 . . . . . 55 N N . 12033 1 219 . 1 1 56 56 ASN H H 1 8.363 . . 1 . . . . . 56 N HN . 12033 1 220 . 1 1 56 56 ASN C C 13 175.736 . . 1 . . . . . 56 N CO . 12033 1 221 . 1 1 56 56 ASN CA C 13 53.654 . . 1 . . . . . 56 N CA . 12033 1 222 . 1 1 56 56 ASN CB C 13 39.194 . . 1 . . . . . 56 N CB . 12033 1 223 . 1 1 56 56 ASN N N 15 119.31 . . 1 . . . . . 56 N N . 12033 1 224 . 1 1 57 57 GLU H H 1 8.239 . . 1 . . . . . 57 E HN . 12033 1 225 . 1 1 57 57 GLU C C 13 176.828 . . 1 . . . . . 57 E CO . 12033 1 226 . 1 1 57 57 GLU CA C 13 57.234 . . 1 . . . . . 57 E CA . 12033 1 227 . 1 1 57 57 GLU CB C 13 30.281 . . 1 . . . . . 57 E CB . 12033 1 228 . 1 1 57 57 GLU N N 15 120.667 . . 1 . . . . . 57 E N . 12033 1 229 . 1 1 58 58 LYS H H 1 8.1 . . 1 . . . . . 58 K HN . 12033 1 230 . 1 1 58 58 LYS C C 13 176.386 . . 1 . . . . . 58 K CO . 12033 1 231 . 1 1 58 58 LYS CA C 13 56.235 . . 1 . . . . . 58 K CA . 12033 1 232 . 1 1 58 58 LYS CB C 13 33.117 . . 1 . . . . . 58 K CB . 12033 1 233 . 1 1 58 58 LYS N N 15 121.096 . . 1 . . . . . 58 K N . 12033 1 234 . 1 1 59 59 ALA H H 1 8.027 . . 1 . . . . . 59 A HN . 12033 1 235 . 1 1 59 59 ALA C C 13 175.595 . . 1 . . . . . 59 A CO . 12033 1 236 . 1 1 59 59 ALA CA C 13 50.807 . . 1 . . . . . 59 A CA . 12033 1 237 . 1 1 59 59 ALA CB C 13 18.333 . . 1 . . . . . 59 A CB . 12033 1 238 . 1 1 59 59 ALA N N 15 125.658 . . 1 . . . . . 59 A N . 12033 1 239 . 1 1 60 60 PRO C C 13 177.126 . . 1 . . . . . 60 P CO . 12033 1 240 . 1 1 60 60 PRO CA C 13 63.09 . . 1 . . . . . 60 P CA . 12033 1 241 . 1 1 60 60 PRO CB C 13 32.438 . . 1 . . . . . 60 P CB . 12033 1 242 . 1 1 61 61 LYS H H 1 8.308 . . 1 . . . . . 61 K HN . 12033 1 243 . 1 1 61 61 LYS C C 13 176.965 . . 1 . . . . . 61 K CO . 12033 1 244 . 1 1 61 61 LYS CA C 13 56.625 . . 1 . . . . . 61 K CA . 12033 1 245 . 1 1 61 61 LYS CB C 13 33.272 . . 1 . . . . . 61 K CB . 12033 1 246 . 1 1 61 61 LYS N N 15 121.742 . . 1 . . . . . 61 K N . 12033 1 247 . 1 1 62 62 VAL H H 1 8.098 . . 1 . . . . . 62 V HN . 12033 1 248 . 1 1 62 62 VAL C C 13 176.148 . . 1 . . . . . 62 V CO . 12033 1 249 . 1 1 62 62 VAL CA C 13 62.681 . . 1 . . . . . 62 V CA . 12033 1 250 . 1 1 62 62 VAL CB C 13 32.997 . . 1 . . . . . 62 V CB . 12033 1 251 . 1 1 62 62 VAL N N 15 122.705 . . 1 . . . . . 62 V N . 12033 1 252 . 1 1 63 63 VAL H H 1 8.244 . . 1 . . . . . 63 V HN . 12033 1 253 . 1 1 63 63 VAL C C 13 176.07 . . 1 . . . . . 63 V CO . 12033 1 254 . 1 1 63 63 VAL CA C 13 62.591 . . 1 . . . . . 63 V CA . 12033 1 255 . 1 1 63 63 VAL CB C 13 33.095 . . 1 . . . . . 63 V CB . 12033 1 256 . 1 1 63 63 VAL N N 15 126.267 . . 1 . . . . . 63 V N . 12033 1 257 . 1 1 64 64 ILE H H 1 8.262 . . 1 . . . . . 64 I HN . 12033 1 258 . 1 1 64 64 ILE C C 13 176.333 . . 1 . . . . . 64 I CO . 12033 1 259 . 1 1 64 64 ILE CA C 13 60.939 . . 1 . . . . . 64 I CA . 12033 1 260 . 1 1 64 64 ILE CB C 13 38.524 . . 1 . . . . . 64 I CB . 12033 1 261 . 1 1 64 64 ILE N N 15 126.851 . . 1 . . . . . 64 I N . 12033 1 262 . 1 1 65 65 LEU H H 1 8.292 . . 1 . . . . . 65 L HN . 12033 1 263 . 1 1 65 65 LEU C C 13 177.341 . . 1 . . . . . 65 L CO . 12033 1 264 . 1 1 65 65 LEU CA C 13 55.168 . . 1 . . . . . 65 L CA . 12033 1 265 . 1 1 65 65 LEU CB C 13 42.624 . . 1 . . . . . 65 L CB . 12033 1 266 . 1 1 65 65 LEU N N 15 127.75 . . 1 . . . . . 65 L N . 12033 1 267 . 1 1 66 66 LYS H H 1 8.219 . . 1 . . . . . 66 K HN . 12033 1 268 . 1 1 66 66 LYS CA C 13 56.616 . . 1 . . . . . 66 K CA . 12033 1 269 . 1 1 66 66 LYS CB C 13 33.409 . . 1 . . . . . 66 K CB . 12033 1 270 . 1 1 66 66 LYS N N 15 123.047 . . 1 . . . . . 66 K N . 12033 1 271 . 1 1 103 103 LEU C C 13 174.626 . . 1 . . . . . 103 L CO . 12033 1 272 . 1 1 103 103 LEU CA C 13 55.354 . . 1 . . . . . 103 L CA . 12033 1 273 . 1 1 103 103 LEU CB C 13 42.615 . . 1 . . . . . 103 L CB . 12033 1 274 . 1 1 104 104 ARG H H 1 8.273 . . 1 . . . . . 104 R HN . 12033 1 275 . 1 1 104 104 ARG CA C 13 56.815 . . 1 . . . . . 104 R CA . 12033 1 276 . 1 1 104 104 ARG N N 15 121.308 . . 1 . . . . . 104 R N . 12033 1 277 . 1 1 105 105 ASN C C 13 174.626 . . 1 . . . . . 105 N CO . 12033 1 278 . 1 1 105 105 ASN CA C 13 53.514 . . 1 . . . . . 105 N CA . 12033 1 279 . 1 1 105 105 ASN CB C 13 39.383 . . 1 . . . . . 105 N CB . 12033 1 280 . 1 1 106 106 SER H H 1 7.675 . . 1 . . . . . 106 S HN . 12033 1 281 . 1 1 106 106 SER CA C 13 60.491 . . 1 . . . . . 106 S CA . 12033 1 282 . 1 1 106 106 SER CB C 13 65.144 . . 1 . . . . . 106 S CB . 12033 1 283 . 1 1 106 106 SER N N 15 120.82 . . 1 . . . . . 106 S N . 12033 1 stop_ save_