data_53417 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53417 _Entry.Title ; MCM6 NTD1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-11-05 _Entry.Accession_date 2025-11-05 _Entry.Last_release_date 2025-11-05 _Entry.Original_release_date 2025-11-05 _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 1 _Entry.Generated_software_label $software_1 _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 'Min June' Yang . . . 0000-0001-7143-6483 53417 2 Chin-Ju Park . . . 0000-0002-7750-1554 53417 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53417 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 274 53417 '15N chemical shifts' 81 53417 '1H chemical shifts' 81 53417 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 . . 2026-01-05 . original BMRB . 53417 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53417 _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 ; Solution NMR Assignment of the MCM6 NTD1 Domain Reveals No Detectable Binding to BLM MBD-N and MBD-D Regions ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _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 'Min June' Yang . . . . 53417 1 2 Chin-Ju Park . . . . 53417 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53417 _Assembly.ID 1 _Assembly.Name 'MCM6 NTD1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _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 'MCM6 NTD1' 1 $entity_1 . . yes native no no . . . 53417 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53417 _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 ; SNAHLEVRDEVAEKCQKLFL DFLEEFQSSDGEIKYLQLAE ELIRPERNTLVVSFVDLEQF NQQLSTTIQEEFYRVYPYLC RALKTFVKDRKEIPLAKDFY VAFQ ; _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 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 . SER . 53417 1 2 . ASN . 53417 1 3 . ALA . 53417 1 4 . HIS . 53417 1 5 . LEU . 53417 1 6 . GLU . 53417 1 7 . VAL . 53417 1 8 . ARG . 53417 1 9 . ASP . 53417 1 10 . GLU . 53417 1 11 . VAL . 53417 1 12 . ALA . 53417 1 13 . GLU . 53417 1 14 . LYS . 53417 1 15 . CYS . 53417 1 16 . GLN . 53417 1 17 . LYS . 53417 1 18 . LEU . 53417 1 19 . PHE . 53417 1 20 . LEU . 53417 1 21 . ASP . 53417 1 22 . PHE . 53417 1 23 . LEU . 53417 1 24 . GLU . 53417 1 25 . GLU . 53417 1 26 . PHE . 53417 1 27 . GLN . 53417 1 28 . SER . 53417 1 29 . SER . 53417 1 30 . ASP . 53417 1 31 . GLY . 53417 1 32 . GLU . 53417 1 33 . ILE . 53417 1 34 . LYS . 53417 1 35 . TYR . 53417 1 36 . LEU . 53417 1 37 . GLN . 53417 1 38 . LEU . 53417 1 39 . ALA . 53417 1 40 . GLU . 53417 1 41 . GLU . 53417 1 42 . LEU . 53417 1 43 . ILE . 53417 1 44 . ARG . 53417 1 45 . PRO . 53417 1 46 . GLU . 53417 1 47 . ARG . 53417 1 48 . ASN . 53417 1 49 . THR . 53417 1 50 . LEU . 53417 1 51 . VAL . 53417 1 52 . VAL . 53417 1 53 . SER . 53417 1 54 . PHE . 53417 1 55 . VAL . 53417 1 56 . ASP . 53417 1 57 . LEU . 53417 1 58 . GLU . 53417 1 59 . GLN . 53417 1 60 . PHE . 53417 1 61 . ASN . 53417 1 62 . GLN . 53417 1 63 . GLN . 53417 1 64 . LEU . 53417 1 65 . SER . 53417 1 66 . THR . 53417 1 67 . THR . 53417 1 68 . ILE . 53417 1 69 . GLN . 53417 1 70 . GLU . 53417 1 71 . GLU . 53417 1 72 . PHE . 53417 1 73 . TYR . 53417 1 74 . ARG . 53417 1 75 . VAL . 53417 1 76 . TYR . 53417 1 77 . PRO . 53417 1 78 . TYR . 53417 1 79 . LEU . 53417 1 80 . CYS . 53417 1 81 . ARG . 53417 1 82 . ALA . 53417 1 83 . LEU . 53417 1 84 . LYS . 53417 1 85 . THR . 53417 1 86 . PHE . 53417 1 87 . VAL . 53417 1 88 . LYS . 53417 1 89 . ASP . 53417 1 90 . ARG . 53417 1 91 . LYS . 53417 1 92 . GLU . 53417 1 93 . ILE . 53417 1 94 . PRO . 53417 1 95 . LEU . 53417 1 96 . ALA . 53417 1 97 . LYS . 53417 1 98 . ASP . 53417 1 99 . PHE . 53417 1 100 . TYR . 53417 1 101 . VAL . 53417 1 102 . ALA . 53417 1 103 . PHE . 53417 1 104 . GLN . 53417 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 . SER 1 1 53417 1 . ASN 2 2 53417 1 . ALA 3 3 53417 1 . HIS 4 4 53417 1 . LEU 5 5 53417 1 . GLU 6 6 53417 1 . VAL 7 7 53417 1 . ARG 8 8 53417 1 . ASP 9 9 53417 1 . GLU 10 10 53417 1 . VAL 11 11 53417 1 . ALA 12 12 53417 1 . GLU 13 13 53417 1 . LYS 14 14 53417 1 . CYS 15 15 53417 1 . GLN 16 16 53417 1 . LYS 17 17 53417 1 . LEU 18 18 53417 1 . PHE 19 19 53417 1 . LEU 20 20 53417 1 . ASP 21 21 53417 1 . PHE 22 22 53417 1 . LEU 23 23 53417 1 . GLU 24 24 53417 1 . GLU 25 25 53417 1 . PHE 26 26 53417 1 . GLN 27 27 53417 1 . SER 28 28 53417 1 . SER 29 29 53417 1 . ASP 30 30 53417 1 . GLY 31 31 53417 1 . GLU 32 32 53417 1 . ILE 33 33 53417 1 . LYS 34 34 53417 1 . TYR 35 35 53417 1 . LEU 36 36 53417 1 . GLN 37 37 53417 1 . LEU 38 38 53417 1 . ALA 39 39 53417 1 . GLU 40 40 53417 1 . GLU 41 41 53417 1 . LEU 42 42 53417 1 . ILE 43 43 53417 1 . ARG 44 44 53417 1 . PRO 45 45 53417 1 . GLU 46 46 53417 1 . ARG 47 47 53417 1 . ASN 48 48 53417 1 . THR 49 49 53417 1 . LEU 50 50 53417 1 . VAL 51 51 53417 1 . VAL 52 52 53417 1 . SER 53 53 53417 1 . PHE 54 54 53417 1 . VAL 55 55 53417 1 . ASP 56 56 53417 1 . LEU 57 57 53417 1 . GLU 58 58 53417 1 . GLN 59 59 53417 1 . PHE 60 60 53417 1 . ASN 61 61 53417 1 . GLN 62 62 53417 1 . GLN 63 63 53417 1 . LEU 64 64 53417 1 . SER 65 65 53417 1 . THR 66 66 53417 1 . THR 67 67 53417 1 . ILE 68 68 53417 1 . GLN 69 69 53417 1 . GLU 70 70 53417 1 . GLU 71 71 53417 1 . PHE 72 72 53417 1 . TYR 73 73 53417 1 . ARG 74 74 53417 1 . VAL 75 75 53417 1 . TYR 76 76 53417 1 . PRO 77 77 53417 1 . TYR 78 78 53417 1 . LEU 79 79 53417 1 . CYS 80 80 53417 1 . ARG 81 81 53417 1 . ALA 82 82 53417 1 . LEU 83 83 53417 1 . LYS 84 84 53417 1 . THR 85 85 53417 1 . PHE 86 86 53417 1 . VAL 87 87 53417 1 . LYS 88 88 53417 1 . ASP 89 89 53417 1 . ARG 90 90 53417 1 . LYS 91 91 53417 1 . GLU 92 92 53417 1 . ILE 93 93 53417 1 . PRO 94 94 53417 1 . LEU 95 95 53417 1 . ALA 96 96 53417 1 . LYS 97 97 53417 1 . ASP 98 98 53417 1 . PHE 99 99 53417 1 . TYR 100 100 53417 1 . VAL 101 101 53417 1 . ALA 102 102 53417 1 . PHE 103 103 53417 1 . GLN 104 104 53417 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 53417 _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 . . . . . . . . . . . . . 53417 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 53417 _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 . . 'pET His6 LIC' . . . 53417 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53417 _Sample.ID 1 _Sample.Name 'MCM6 NTD1 Double Labeled' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 'MCM6 NTD1' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 500 . . uM . . . . 53417 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 53417 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 53417 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 53417 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 53417 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'MCM6 NTD1' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 53417 1 pH 7.0 . pH 53417 1 pressure 1 . atm 53417 1 temperature 298 . K 53417 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53417 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-POKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53417 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 53417 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker AVANCE 800 MHz spectrometer' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 53417 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53417 1 2 '2D 1H-13C HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53417 1 3 '3D CC(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53417 1 4 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53417 1 5 '3D HNCACO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53417 1 6 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53417 1 7 '3D HN(CO)CA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53417 1 8 '3D HN(CO)CACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53417 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 53417 _Computing_platform.ID 1 _Computing_platform.Name NMRbox _Computing_platform.Reference_ID . _Computing_platform.Site myang _Computing_platform.Site_reference_ID . _Computing_platform.Details . 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 53417 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Water _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 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 53417 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 53417 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name MCM6_NTD1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 53417 1 2 '2D 1H-13C HSQC' . . . 53417 1 3 '3D CC(CO)NH' . . . 53417 1 4 '3D HNCACB' . . . 53417 1 5 '3D HNCACO' . . . 53417 1 6 '3D HNCO' . . . 53417 1 7 '3D HN(CO)CA' . . . 53417 1 8 '3D HN(CO)CACB' . . . 53417 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 1 $software_1 . . 53417 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 ASN C C 13 172.409 0.00 . 1 . . . . . 2 ASN C . 53417 1 2 . 1 . 1 2 2 ASN CA C 13 52.750 0.06 . 1 . . . . . 2 ASN CA . 53417 1 3 . 1 . 1 2 2 ASN CB C 13 38.596 0.08 . 1 . . . . . 2 ASN CB . 53417 1 4 . 1 . 1 3 3 ALA H H 1 8.290 0.00 . 1 . . . . . 3 ALA H . 53417 1 5 . 1 . 1 3 3 ALA C C 13 174.767 0.03 . 1 . . . . . 3 ALA C . 53417 1 6 . 1 . 1 3 3 ALA CA C 13 52.708 0.01 . 1 . . . . . 3 ALA CA . 53417 1 7 . 1 . 1 3 3 ALA CB C 13 18.641 0.03 . 1 . . . . . 3 ALA CB . 53417 1 8 . 1 . 1 3 3 ALA N N 15 124.300 0.07 . 1 . . . . . 3 ALA N . 53417 1 9 . 1 . 1 4 4 HIS H H 1 8.249 0.01 . 1 . . . . . 4 HIS H . 53417 1 10 . 1 . 1 4 4 HIS C C 13 172.420 0.01 . 1 . . . . . 4 HIS C . 53417 1 11 . 1 . 1 4 4 HIS CA C 13 55.944 0.05 . 1 . . . . . 4 HIS CA . 53417 1 12 . 1 . 1 4 4 HIS CB C 13 29.879 0.15 . 1 . . . . . 4 HIS CB . 53417 1 13 . 1 . 1 4 4 HIS N N 15 118.027 0.08 . 1 . . . . . 4 HIS N . 53417 1 14 . 1 . 1 5 5 LEU H H 1 7.887 0.01 . 1 . . . . . 5 LEU H . 53417 1 15 . 1 . 1 5 5 LEU C C 13 174.178 0.01 . 1 . . . . . 5 LEU C . 53417 1 16 . 1 . 1 5 5 LEU CA C 13 54.632 0.05 . 1 . . . . . 5 LEU CA . 53417 1 17 . 1 . 1 5 5 LEU CB C 13 42.064 0.10 . 1 . . . . . 5 LEU CB . 53417 1 18 . 1 . 1 5 5 LEU CG C 13 25.856 0.00 . 1 . . . . . 5 LEU CG . 53417 1 19 . 1 . 1 5 5 LEU CD1 C 13 23.712 0.00 . 1 . . . . . 5 LEU CD . 53417 1 20 . 1 . 1 5 5 LEU CD2 C 13 23.712 0.00 . 1 . . . . . 5 LEU CD . 53417 1 21 . 1 . 1 5 5 LEU N N 15 123.025 0.07 . 1 . . . . . 5 LEU N . 53417 1 22 . 1 . 1 6 6 GLU H H 1 8.242 0.01 . 1 . . . . . 6 GLU H . 53417 1 23 . 1 . 1 6 6 GLU C C 13 173.445 0.01 . 1 . . . . . 6 GLU C . 53417 1 24 . 1 . 1 6 6 GLU CA C 13 56.003 0.02 . 1 . . . . . 6 GLU CA . 53417 1 25 . 1 . 1 6 6 GLU CB C 13 29.949 0.05 . 1 . . . . . 6 GLU CB . 53417 1 26 . 1 . 1 6 6 GLU CG C 13 35.577 0.00 . 1 . . . . . 6 GLU CG . 53417 1 27 . 1 . 1 6 6 GLU N N 15 121.904 0.09 . 1 . . . . . 6 GLU N . 53417 1 28 . 1 . 1 7 7 VAL H H 1 8.151 0.00 . 1 . . . . . 7 VAL H . 53417 1 29 . 1 . 1 7 7 VAL C C 13 173.053 0.22 . 1 . . . . . 7 VAL C . 53417 1 30 . 1 . 1 7 7 VAL CA C 13 61.949 0.09 . 1 . . . . . 7 VAL CA . 53417 1 31 . 1 . 1 7 7 VAL CB C 13 32.373 0.04 . 1 . . . . . 7 VAL CB . 53417 1 32 . 1 . 1 7 7 VAL CG1 C 13 20.372 0.00 . 1 . . . . . 7 VAL CG# . 53417 1 33 . 1 . 1 7 7 VAL CG2 C 13 20.372 0.00 . 1 . . . . . 7 VAL CG# . 53417 1 34 . 1 . 1 7 7 VAL N N 15 122.358 0.08 . 1 . . . . . 7 VAL N . 53417 1 35 . 1 . 1 8 8 ARG H H 1 8.399 0.00 . 1 . . . . . 8 ARG H . 53417 1 36 . 1 . 1 8 8 ARG C C 13 172.700 0.00 . 1 . . . . . 8 ARG C . 53417 1 37 . 1 . 1 8 8 ARG CA C 13 55.372 0.03 . 1 . . . . . 8 ARG CA . 53417 1 38 . 1 . 1 8 8 ARG CB C 13 30.995 0.13 . 1 . . . . . 8 ARG CB . 53417 1 39 . 1 . 1 8 8 ARG CG C 13 26.149 0.00 . 1 . . . . . 8 ARG CG . 53417 1 40 . 1 . 1 8 8 ARG CD C 13 42.424 0.00 . 1 . . . . . 8 ARG CD . 53417 1 41 . 1 . 1 8 8 ARG N N 15 125.581 0.08 . 1 . . . . . 8 ARG N . 53417 1 42 . 1 . 1 9 9 ASP H H 1 8.513 0.00 . 1 . . . . . 9 ASP H . 53417 1 43 . 1 . 1 9 9 ASP C C 13 172.852 0.13 . 1 . . . . . 9 ASP C . 53417 1 44 . 1 . 1 9 9 ASP CA C 13 52.419 0.05 . 1 . . . . . 9 ASP CA . 53417 1 45 . 1 . 1 9 9 ASP CB C 13 40.467 0.05 . 1 . . . . . 9 ASP CB . 53417 1 46 . 1 . 1 9 9 ASP N N 15 123.329 0.14 . 1 . . . . . 9 ASP N . 53417 1 47 . 1 . 1 10 10 GLU H H 1 8.518 0.00 . 1 . . . . . 10 GLU H . 53417 1 48 . 1 . 1 10 10 GLU C C 13 176.143 0.33 . 1 . . . . . 10 GLU C . 53417 1 49 . 1 . 1 10 10 GLU CA C 13 59.223 0.02 . 1 . . . . . 10 GLU CA . 53417 1 50 . 1 . 1 10 10 GLU CB C 13 29.302 0.17 . 1 . . . . . 10 GLU CB . 53417 1 51 . 1 . 1 10 10 GLU CG C 13 35.575 0.00 . 1 . . . . . 10 GLU CG . 53417 1 52 . 1 . 1 10 10 GLU N N 15 123.906 0.10 . 1 . . . . . 10 GLU N . 53417 1 53 . 1 . 1 11 11 VAL H H 1 7.694 0.00 . 1 . . . . . 11 VAL H . 53417 1 54 . 1 . 1 11 11 VAL C C 13 175.712 0.00 . 1 . . . . . 11 VAL C . 53417 1 55 . 1 . 1 11 11 VAL CA C 13 65.594 0.05 . 1 . . . . . 11 VAL CA . 53417 1 56 . 1 . 1 11 11 VAL CB C 13 31.609 0.16 . 1 . . . . . 11 VAL CB . 53417 1 57 . 1 . 1 11 11 VAL CG1 C 13 22.291 0.00 . 1 . . . . . 11 VAL CG# . 53417 1 58 . 1 . 1 11 11 VAL CG2 C 13 22.291 0.00 . 1 . . . . . 11 VAL CG# . 53417 1 59 . 1 . 1 11 11 VAL N N 15 120.281 0.08 . 1 . . . . . 11 VAL N . 53417 1 60 . 1 . 1 12 12 ALA H H 1 7.551 0.01 . 1 . . . . . 12 ALA H . 53417 1 61 . 1 . 1 12 12 ALA C C 13 176.116 0.02 . 1 . . . . . 12 ALA C . 53417 1 62 . 1 . 1 12 12 ALA CA C 13 54.805 0.03 . 1 . . . . . 12 ALA CA . 53417 1 63 . 1 . 1 12 12 ALA CB C 13 16.236 0.02 . 1 . . . . . 12 ALA CB . 53417 1 64 . 1 . 1 12 12 ALA N N 15 123.708 0.10 . 1 . . . . . 12 ALA N . 53417 1 65 . 1 . 1 13 13 GLU H H 1 8.093 0.00 . 1 . . . . . 13 GLU H . 53417 1 66 . 1 . 1 13 13 GLU C C 13 177.138 0.00 . 1 . . . . . 13 GLU C . 53417 1 67 . 1 . 1 13 13 GLU CA C 13 59.128 0.07 . 1 . . . . . 13 GLU CA . 53417 1 68 . 1 . 1 13 13 GLU CB C 13 28.958 0.05 . 1 . . . . . 13 GLU CB . 53417 1 69 . 1 . 1 13 13 GLU CG C 13 36.349 0.00 . 1 . . . . . 13 GLU CG . 53417 1 70 . 1 . 1 13 13 GLU N N 15 116.009 0.07 . 1 . . . . . 13 GLU N . 53417 1 71 . 1 . 1 14 14 LYS H H 1 7.808 0.00 . 1 . . . . . 14 LYS H . 53417 1 72 . 1 . 1 14 14 LYS C C 13 175.818 0.03 . 1 . . . . . 14 LYS C . 53417 1 73 . 1 . 1 14 14 LYS CA C 13 58.997 0.03 . 1 . . . . . 14 LYS CA . 53417 1 74 . 1 . 1 14 14 LYS CB C 13 31.350 0.19 . 1 . . . . . 14 LYS CB . 53417 1 75 . 1 . 1 14 14 LYS CG C 13 24.316 0.00 . 1 . . . . . 14 LYS CG . 53417 1 76 . 1 . 1 14 14 LYS CD C 13 28.139 0.00 . 1 . . . . . 14 LYS CD . 53417 1 77 . 1 . 1 14 14 LYS CE C 13 44.205 0.00 . 1 . . . . . 14 LYS CE . 53417 1 78 . 1 . 1 14 14 LYS N N 15 121.189 0.09 . 1 . . . . . 14 LYS N . 53417 1 79 . 1 . 1 15 15 CYS H H 1 7.802 0.00 . 1 . . . . . 15 CYS H . 53417 1 80 . 1 . 1 15 15 CYS C C 13 172.933 0.03 . 1 . . . . . 15 CYS C . 53417 1 81 . 1 . 1 15 15 CYS CA C 13 63.302 0.04 . 1 . . . . . 15 CYS CA . 53417 1 82 . 1 . 1 15 15 CYS CB C 13 26.170 0.02 . 1 . . . . . 15 CYS CB . 53417 1 83 . 1 . 1 15 15 CYS N N 15 117.371 0.07 . 1 . . . . . 15 CYS N . 53417 1 84 . 1 . 1 16 16 GLN H H 1 8.219 0.00 . 1 . . . . . 16 GLN H . 53417 1 85 . 1 . 1 16 16 GLN C C 13 173.803 0.03 . 1 . . . . . 16 GLN C . 53417 1 86 . 1 . 1 16 16 GLN CA C 13 59.747 0.02 . 1 . . . . . 16 GLN CA . 53417 1 87 . 1 . 1 16 16 GLN CB C 13 28.919 0.15 . 1 . . . . . 16 GLN CB . 53417 1 88 . 1 . 1 16 16 GLN CG C 13 32.645 0.00 . 1 . . . . . 16 GLN CG . 53417 1 89 . 1 . 1 16 16 GLN N N 15 119.028 0.10 . 1 . . . . . 16 GLN N . 53417 1 90 . 1 . 1 17 17 LYS H H 1 7.387 0.00 . 1 . . . . . 17 LYS H . 53417 1 91 . 1 . 1 17 17 LYS C C 13 175.940 0.02 . 1 . . . . . 17 LYS C . 53417 1 92 . 1 . 1 17 17 LYS CA C 13 58.970 0.02 . 1 . . . . . 17 LYS CA . 53417 1 93 . 1 . 1 17 17 LYS CB C 13 32.178 0.01 . 1 . . . . . 17 LYS CB . 53417 1 94 . 1 . 1 17 17 LYS N N 15 118.420 0.08 . 1 . . . . . 17 LYS N . 53417 1 95 . 1 . 1 18 18 LEU H H 1 8.183 0.01 . 1 . . . . . 18 LEU H . 53417 1 96 . 1 . 1 18 18 LEU C C 13 176.140 0.00 . 1 . . . . . 18 LEU C . 53417 1 97 . 1 . 1 18 18 LEU CA C 13 57.014 0.03 . 1 . . . . . 18 LEU CA . 53417 1 98 . 1 . 1 18 18 LEU CB C 13 43.329 0.05 . 1 . . . . . 18 LEU CB . 53417 1 99 . 1 . 1 18 18 LEU N N 15 117.976 0.07 . 1 . . . . . 18 LEU N . 53417 1 100 . 1 . 1 19 19 PHE H H 1 8.689 0.00 . 1 . . . . . 19 PHE H . 53417 1 101 . 1 . 1 19 19 PHE C C 13 173.447 0.00 . 1 . . . . . 19 PHE C . 53417 1 102 . 1 . 1 19 19 PHE CA C 13 60.379 0.04 . 1 . . . . . 19 PHE CA . 53417 1 103 . 1 . 1 19 19 PHE CB C 13 39.524 0.05 . 1 . . . . . 19 PHE CB . 53417 1 104 . 1 . 1 19 19 PHE N N 15 119.821 0.07 . 1 . . . . . 19 PHE N . 53417 1 105 . 1 . 1 20 20 LEU H H 1 7.869 0.00 . 1 . . . . . 20 LEU H . 53417 1 106 . 1 . 1 20 20 LEU CA C 13 58.068 0.01 . 1 . . . . . 20 LEU CA . 53417 1 107 . 1 . 1 20 20 LEU CB C 13 41.152 0.00 . 1 . . . . . 20 LEU CB . 53417 1 108 . 1 . 1 20 20 LEU N N 15 120.339 0.08 . 1 . . . . . 20 LEU N . 53417 1 109 . 1 . 1 23 23 LEU C C 13 175.427 0.00 . 1 . . . . . 23 LEU C . 53417 1 110 . 1 . 1 23 23 LEU CA C 13 57.127 0.07 . 1 . . . . . 23 LEU CA . 53417 1 111 . 1 . 1 23 23 LEU CB C 13 39.498 0.00 . 1 . . . . . 23 LEU CB . 53417 1 112 . 1 . 1 24 24 GLU H H 1 7.495 0.01 . 1 . . . . . 24 GLU H . 53417 1 113 . 1 . 1 24 24 GLU C C 13 175.412 0.01 . 1 . . . . . 24 GLU C . 53417 1 114 . 1 . 1 24 24 GLU CA C 13 58.127 0.02 . 1 . . . . . 24 GLU CA . 53417 1 115 . 1 . 1 24 24 GLU CB C 13 31.022 0.09 . 1 . . . . . 24 GLU CB . 53417 1 116 . 1 . 1 24 24 GLU CG C 13 36.538 0.00 . 1 . . . . . 24 GLU CG . 53417 1 117 . 1 . 1 24 24 GLU N N 15 111.441 0.11 . 1 . . . . . 24 GLU N . 53417 1 118 . 1 . 1 25 25 GLU H H 1 7.972 0.01 . 1 . . . . . 25 GLU H . 53417 1 119 . 1 . 1 25 25 GLU C C 13 175.491 0.04 . 1 . . . . . 25 GLU C . 53417 1 120 . 1 . 1 25 25 GLU CA C 13 56.283 0.08 . 1 . . . . . 25 GLU CA . 53417 1 121 . 1 . 1 25 25 GLU CB C 13 32.351 0.08 . 1 . . . . . 25 GLU CB . 53417 1 122 . 1 . 1 25 25 GLU N N 15 113.280 0.08 . 1 . . . . . 25 GLU N . 53417 1 123 . 1 . 1 26 26 PHE H H 1 8.506 0.01 . 1 . . . . . 26 PHE H . 53417 1 124 . 1 . 1 26 26 PHE C C 13 173.195 0.01 . 1 . . . . . 26 PHE C . 53417 1 125 . 1 . 1 26 26 PHE CA C 13 61.722 0.02 . 1 . . . . . 26 PHE CA . 53417 1 126 . 1 . 1 26 26 PHE CB C 13 38.478 0.03 . 1 . . . . . 26 PHE CB . 53417 1 127 . 1 . 1 26 26 PHE N N 15 121.913 0.09 . 1 . . . . . 26 PHE N . 53417 1 128 . 1 . 1 27 27 GLN H H 1 7.510 0.01 . 1 . . . . . 27 GLN H . 53417 1 129 . 1 . 1 27 27 GLN C C 13 173.629 0.03 . 1 . . . . . 27 GLN C . 53417 1 130 . 1 . 1 27 27 GLN CA C 13 53.536 0.02 . 1 . . . . . 27 GLN CA . 53417 1 131 . 1 . 1 27 27 GLN CB C 13 31.690 0.04 . 1 . . . . . 27 GLN CB . 53417 1 132 . 1 . 1 27 27 GLN CG C 13 33.335 0.00 . 1 . . . . . 27 GLN CG . 53417 1 133 . 1 . 1 27 27 GLN N N 15 126.250 0.07 . 1 . . . . . 27 GLN N . 53417 1 134 . 1 . 1 28 28 SER H H 1 8.682 0.01 . 1 . . . . . 28 SER H . 53417 1 135 . 1 . 1 28 28 SER C C 13 171.227 0.00 . 1 . . . . . 28 SER C . 53417 1 136 . 1 . 1 28 28 SER CA C 13 56.764 0.02 . 1 . . . . . 28 SER CA . 53417 1 137 . 1 . 1 28 28 SER CB C 13 64.453 0.00 . 1 . . . . . 28 SER CB . 53417 1 138 . 1 . 1 28 28 SER N N 15 115.081 0.10 . 1 . . . . . 28 SER N . 53417 1 139 . 1 . 1 29 29 SER H H 1 7.759 0.01 . 1 . . . . . 29 SER H . 53417 1 140 . 1 . 1 29 29 SER C C 13 171.704 0.02 . 1 . . . . . 29 SER C . 53417 1 141 . 1 . 1 29 29 SER CA C 13 60.905 0.08 . 1 . . . . . 29 SER CA . 53417 1 142 . 1 . 1 29 29 SER CB C 13 62.427 0.09 . 1 . . . . . 29 SER CB . 53417 1 143 . 1 . 1 29 29 SER N N 15 115.507 0.12 . 1 . . . . . 29 SER N . 53417 1 144 . 1 . 1 30 30 ASP H H 1 7.871 0.00 . 1 . . . . . 30 ASP H . 53417 1 145 . 1 . 1 30 30 ASP C C 13 174.017 0.02 . 1 . . . . . 30 ASP C . 53417 1 146 . 1 . 1 30 30 ASP CA C 13 53.380 0.03 . 1 . . . . . 30 ASP CA . 53417 1 147 . 1 . 1 30 30 ASP CB C 13 40.095 0.11 . 1 . . . . . 30 ASP CB . 53417 1 148 . 1 . 1 30 30 ASP N N 15 118.520 0.07 . 1 . . . . . 30 ASP N . 53417 1 149 . 1 . 1 31 31 GLY H H 1 8.030 0.00 . 1 . . . . . 31 GLY H . 53417 1 150 . 1 . 1 31 31 GLY C C 13 171.352 0.02 . 1 . . . . . 31 GLY C . 53417 1 151 . 1 . 1 31 31 GLY CA C 13 44.850 0.08 . 1 . . . . . 31 GLY CA . 53417 1 152 . 1 . 1 31 31 GLY N N 15 108.502 0.08 . 1 . . . . . 31 GLY N . 53417 1 153 . 1 . 1 32 32 GLU H H 1 7.385 0.00 . 1 . . . . . 32 GLU H . 53417 1 154 . 1 . 1 32 32 GLU C C 13 172.885 0.02 . 1 . . . . . 32 GLU C . 53417 1 155 . 1 . 1 32 32 GLU CA C 13 54.891 0.03 . 1 . . . . . 32 GLU CA . 53417 1 156 . 1 . 1 32 32 GLU CB C 13 30.011 0.08 . 1 . . . . . 32 GLU CB . 53417 1 157 . 1 . 1 32 32 GLU CG C 13 35.379 0.00 . 1 . . . . . 32 GLU CG . 53417 1 158 . 1 . 1 32 32 GLU N N 15 119.383 0.08 . 1 . . . . . 32 GLU N . 53417 1 159 . 1 . 1 33 33 ILE H H 1 8.704 0.00 . 1 . . . . . 33 ILE H . 53417 1 160 . 1 . 1 33 33 ILE C C 13 174.639 0.01 . 1 . . . . . 33 ILE C . 53417 1 161 . 1 . 1 33 33 ILE CA C 13 60.046 0.02 . 1 . . . . . 33 ILE CA . 53417 1 162 . 1 . 1 33 33 ILE CB C 13 34.182 0.00 . 1 . . . . . 33 ILE CB . 53417 1 163 . 1 . 1 33 33 ILE CG2 C 13 19.401 0.00 . 1 . . . . . 33 ILE CG2 . 53417 1 164 . 1 . 1 33 33 ILE N N 15 123.090 0.07 . 1 . . . . . 33 ILE N . 53417 1 165 . 1 . 1 34 34 LYS H H 1 7.707 0.00 . 1 . . . . . 34 LYS H . 53417 1 166 . 1 . 1 34 34 LYS N N 15 130.347 0.09 . 1 . . . . . 34 LYS N . 53417 1 167 . 1 . 1 35 35 TYR C C 13 175.986 0.00 . 1 . . . . . 35 TYR C . 53417 1 168 . 1 . 1 35 35 TYR CA C 13 58.724 0.06 . 1 . . . . . 35 TYR CA . 53417 1 169 . 1 . 1 35 35 TYR CB C 13 41.494 0.00 . 1 . . . . . 35 TYR CB . 53417 1 170 . 1 . 1 36 36 LEU H H 1 7.912 0.01 . 1 . . . . . 36 LEU H . 53417 1 171 . 1 . 1 36 36 LEU C C 13 175.883 0.00 . 1 . . . . . 36 LEU C . 53417 1 172 . 1 . 1 36 36 LEU CA C 13 57.329 0.09 . 1 . . . . . 36 LEU CA . 53417 1 173 . 1 . 1 36 36 LEU CB C 13 40.426 0.00 . 1 . . . . . 36 LEU CB . 53417 1 174 . 1 . 1 36 36 LEU N N 15 122.403 0.16 . 1 . . . . . 36 LEU N . 53417 1 175 . 1 . 1 37 37 GLN H H 1 7.498 0.00 . 1 . . . . . 37 GLN H . 53417 1 176 . 1 . 1 37 37 GLN C C 13 177.080 0.00 . 1 . . . . . 37 GLN C . 53417 1 177 . 1 . 1 37 37 GLN CA C 13 57.890 0.07 . 1 . . . . . 37 GLN CA . 53417 1 178 . 1 . 1 37 37 GLN CB C 13 27.440 0.00 . 1 . . . . . 37 GLN CB . 53417 1 179 . 1 . 1 37 37 GLN N N 15 116.481 0.06 . 1 . . . . . 37 GLN N . 53417 1 180 . 1 . 1 38 38 LEU H H 1 7.531 0.00 . 1 . . . . . 38 LEU H . 53417 1 181 . 1 . 1 38 38 LEU C C 13 176.828 0.00 . 1 . . . . . 38 LEU C . 53417 1 182 . 1 . 1 38 38 LEU CA C 13 57.352 0.03 . 1 . . . . . 38 LEU CA . 53417 1 183 . 1 . 1 38 38 LEU CB C 13 42.160 0.00 . 1 . . . . . 38 LEU CB . 53417 1 184 . 1 . 1 38 38 LEU N N 15 118.291 0.10 . 1 . . . . . 38 LEU N . 53417 1 185 . 1 . 1 39 39 ALA H H 1 8.119 0.01 . 1 . . . . . 39 ALA H . 53417 1 186 . 1 . 1 39 39 ALA C C 13 175.624 0.30 . 1 . . . . . 39 ALA C . 53417 1 187 . 1 . 1 39 39 ALA CA C 13 54.032 0.03 . 1 . . . . . 39 ALA CA . 53417 1 188 . 1 . 1 39 39 ALA CB C 13 17.575 0.07 . 1 . . . . . 39 ALA CB . 53417 1 189 . 1 . 1 39 39 ALA N N 15 120.678 0.09 . 1 . . . . . 39 ALA N . 53417 1 190 . 1 . 1 40 40 GLU H H 1 7.547 0.01 . 1 . . . . . 40 GLU H . 53417 1 191 . 1 . 1 40 40 GLU C C 13 176.326 0.05 . 1 . . . . . 40 GLU C . 53417 1 192 . 1 . 1 40 40 GLU CA C 13 58.922 0.05 . 1 . . . . . 40 GLU CA . 53417 1 193 . 1 . 1 40 40 GLU N N 15 116.834 0.13 . 1 . . . . . 40 GLU N . 53417 1 194 . 1 . 1 41 41 GLU H H 1 8.452 0.00 . 1 . . . . . 41 GLU H . 53417 1 195 . 1 . 1 41 41 GLU C C 13 174.922 0.00 . 1 . . . . . 41 GLU C . 53417 1 196 . 1 . 1 41 41 GLU CA C 13 58.429 0.02 . 1 . . . . . 41 GLU CA . 53417 1 197 . 1 . 1 41 41 GLU N N 15 117.432 0.05 . 1 . . . . . 41 GLU N . 53417 1 198 . 1 . 1 42 42 LEU H H 1 8.046 0.01 . 1 . . . . . 42 LEU H . 53417 1 199 . 1 . 1 42 42 LEU C C 13 174.533 0.00 . 1 . . . . . 42 LEU C . 53417 1 200 . 1 . 1 42 42 LEU CA C 13 55.402 0.02 . 1 . . . . . 42 LEU CA . 53417 1 201 . 1 . 1 42 42 LEU CB C 13 40.330 0.07 . 1 . . . . . 42 LEU CB . 53417 1 202 . 1 . 1 42 42 LEU N N 15 117.236 0.07 . 1 . . . . . 42 LEU N . 53417 1 203 . 1 . 1 43 43 ILE H H 1 7.559 0.01 . 1 . . . . . 43 ILE H . 53417 1 204 . 1 . 1 43 43 ILE CA C 13 55.838 0.00 . 1 . . . . . 43 ILE CA . 53417 1 205 . 1 . 1 43 43 ILE N N 15 117.374 0.11 . 1 . . . . . 43 ILE N . 53417 1 206 . 1 . 1 46 46 GLU C C 13 173.057 0.00 . 1 . . . . . 46 GLU C . 53417 1 207 . 1 . 1 46 46 GLU CA C 13 56.858 0.05 . 1 . . . . . 46 GLU CA . 53417 1 208 . 1 . 1 46 46 GLU CB C 13 27.892 0.03 . 1 . . . . . 46 GLU CB . 53417 1 209 . 1 . 1 46 46 GLU CG C 13 35.366 0.00 . 1 . . . . . 46 GLU CG . 53417 1 210 . 1 . 1 47 47 ARG H H 1 7.501 0.00 . 1 . . . . . 47 ARG H . 53417 1 211 . 1 . 1 47 47 ARG C C 13 171.980 0.00 . 1 . . . . . 47 ARG C . 53417 1 212 . 1 . 1 47 47 ARG CA C 13 53.489 0.02 . 1 . . . . . 47 ARG CA . 53417 1 213 . 1 . 1 47 47 ARG CB C 13 30.791 0.00 . 1 . . . . . 47 ARG CB . 53417 1 214 . 1 . 1 47 47 ARG N N 15 120.656 0.10 . 1 . . . . . 47 ARG N . 53417 1 215 . 1 . 1 49 49 THR H H 1 8.169 0.00 . 1 . . . . . 49 THR H . 53417 1 216 . 1 . 1 49 49 THR C C 13 170.173 0.00 . 1 . . . . . 49 THR C . 53417 1 217 . 1 . 1 49 49 THR CA C 13 61.012 0.06 . 1 . . . . . 49 THR CA . 53417 1 218 . 1 . 1 49 49 THR N N 15 120.054 0.00 . 1 . . . . . 49 THR N . 53417 1 219 . 1 . 1 50 50 LEU H H 1 8.501 0.00 . 1 . . . . . 50 LEU H . 53417 1 220 . 1 . 1 50 50 LEU C C 13 171.359 0.00 . 1 . . . . . 50 LEU C . 53417 1 221 . 1 . 1 50 50 LEU CA C 13 52.935 0.09 . 1 . . . . . 50 LEU CA . 53417 1 222 . 1 . 1 50 50 LEU CB C 13 45.659 0.05 . 1 . . . . . 50 LEU CB . 53417 1 223 . 1 . 1 50 50 LEU CG C 13 25.974 0.00 . 1 . . . . . 50 LEU CG . 53417 1 224 . 1 . 1 50 50 LEU N N 15 129.340 0.10 . 1 . . . . . 50 LEU N . 53417 1 225 . 1 . 1 51 51 VAL H H 1 8.617 0.01 . 1 . . . . . 51 VAL H . 53417 1 226 . 1 . 1 51 51 VAL C C 13 172.508 0.02 . 1 . . . . . 51 VAL C . 53417 1 227 . 1 . 1 51 51 VAL CA C 13 61.605 0.02 . 1 . . . . . 51 VAL CA . 53417 1 228 . 1 . 1 51 51 VAL CB C 13 30.927 0.00 . 1 . . . . . 51 VAL CB . 53417 1 229 . 1 . 1 51 51 VAL CG2 C 13 20.548 0.00 . 1 . . . . . 51 VAL CG2 . 53417 1 230 . 1 . 1 51 51 VAL N N 15 128.874 0.08 . 1 . . . . . 51 VAL N . 53417 1 231 . 1 . 1 52 52 VAL H H 1 8.757 0.01 . 1 . . . . . 52 VAL H . 53417 1 232 . 1 . 1 52 52 VAL C C 13 173.561 0.11 . 1 . . . . . 52 VAL C . 53417 1 233 . 1 . 1 52 52 VAL CA C 13 60.133 0.00 . 1 . . . . . 52 VAL CA . 53417 1 234 . 1 . 1 52 52 VAL N N 15 128.395 0.17 . 1 . . . . . 52 VAL N . 53417 1 235 . 1 . 1 54 54 PHE C C 13 175.025 0.00 . 1 . . . . . 54 PHE C . 53417 1 236 . 1 . 1 54 54 PHE CA C 13 62.004 0.05 . 1 . . . . . 54 PHE CA . 53417 1 237 . 1 . 1 55 55 VAL H H 1 8.571 0.01 . 1 . . . . . 55 VAL H . 53417 1 238 . 1 . 1 55 55 VAL C C 13 175.293 0.00 . 1 . . . . . 55 VAL C . 53417 1 239 . 1 . 1 55 55 VAL CA C 13 64.922 0.05 . 1 . . . . . 55 VAL CA . 53417 1 240 . 1 . 1 55 55 VAL N N 15 124.650 0.07 . 1 . . . . . 55 VAL N . 53417 1 241 . 1 . 1 56 56 ASP H H 1 9.461 0.01 . 1 . . . . . 56 ASP H . 53417 1 242 . 1 . 1 56 56 ASP C C 13 174.608 0.00 . 1 . . . . . 56 ASP C . 53417 1 243 . 1 . 1 56 56 ASP CA C 13 56.821 0.03 . 1 . . . . . 56 ASP CA . 53417 1 244 . 1 . 1 56 56 ASP N N 15 114.988 0.13 . 1 . . . . . 56 ASP N . 53417 1 245 . 1 . 1 57 57 LEU H H 1 7.619 0.01 . 1 . . . . . 57 LEU H . 53417 1 246 . 1 . 1 57 57 LEU C C 13 173.875 0.03 . 1 . . . . . 57 LEU C . 53417 1 247 . 1 . 1 57 57 LEU CA C 13 54.556 0.06 . 1 . . . . . 57 LEU CA . 53417 1 248 . 1 . 1 57 57 LEU CB C 13 42.095 0.11 . 1 . . . . . 57 LEU CB . 53417 1 249 . 1 . 1 57 57 LEU CG C 13 26.264 0.00 . 1 . . . . . 57 LEU CG . 53417 1 250 . 1 . 1 57 57 LEU CD1 C 13 23.686 0.00 . 1 . . . . . 57 LEU CD . 53417 1 251 . 1 . 1 57 57 LEU CD2 C 13 23.686 0.00 . 1 . . . . . 57 LEU CD . 53417 1 252 . 1 . 1 57 57 LEU N N 15 123.736 0.05 . 1 . . . . . 57 LEU N . 53417 1 253 . 1 . 1 58 58 GLU H H 1 8.396 0.00 . 1 . . . . . 58 GLU H . 53417 1 254 . 1 . 1 58 58 GLU C C 13 173.417 0.02 . 1 . . . . . 58 GLU C . 53417 1 255 . 1 . 1 58 58 GLU CA C 13 55.958 0.03 . 1 . . . . . 58 GLU CA . 53417 1 256 . 1 . 1 58 58 GLU CB C 13 29.980 0.04 . 1 . . . . . 58 GLU CB . 53417 1 257 . 1 . 1 58 58 GLU CG C 13 35.558 0.00 . 1 . . . . . 58 GLU CG . 53417 1 258 . 1 . 1 58 58 GLU N N 15 122.639 0.10 . 1 . . . . . 58 GLU N . 53417 1 259 . 1 . 1 59 59 GLN H H 1 8.223 0.00 . 1 . . . . . 59 GLN H . 53417 1 260 . 1 . 1 59 59 GLN C C 13 173.182 0.00 . 1 . . . . . 59 GLN C . 53417 1 261 . 1 . 1 59 59 GLN CA C 13 61.982 0.00 . 1 . . . . . 59 GLN CA . 53417 1 262 . 1 . 1 59 59 GLN CB C 13 32.435 0.00 . 1 . . . . . 59 GLN CB . 53417 1 263 . 1 . 1 59 59 GLN N N 15 122.681 0.07 . 1 . . . . . 59 GLN N . 53417 1 264 . 1 . 1 60 60 PHE C C 13 173.808 0.00 . 1 . . . . . 60 PHE C . 53417 1 265 . 1 . 1 60 60 PHE CA C 13 60.787 0.02 . 1 . . . . . 60 PHE CA . 53417 1 266 . 1 . 1 60 60 PHE CB C 13 41.483 0.00 . 1 . . . . . 60 PHE CB . 53417 1 267 . 1 . 1 61 61 ASN H H 1 8.843 0.01 . 1 . . . . . 61 ASN H . 53417 1 268 . 1 . 1 61 61 ASN C C 13 170.756 0.00 . 1 . . . . . 61 ASN C . 53417 1 269 . 1 . 1 61 61 ASN CA C 13 53.968 0.02 . 1 . . . . . 61 ASN CA . 53417 1 270 . 1 . 1 61 61 ASN CB C 13 39.025 0.02 . 1 . . . . . 61 ASN CB . 53417 1 271 . 1 . 1 61 61 ASN N N 15 115.029 0.07 . 1 . . . . . 61 ASN N . 53417 1 272 . 1 . 1 62 62 GLN H H 1 8.875 0.01 . 1 . . . . . 62 GLN H . 53417 1 273 . 1 . 1 62 62 GLN C C 13 175.180 0.04 . 1 . . . . . 62 GLN C . 53417 1 274 . 1 . 1 62 62 GLN CA C 13 58.899 0.08 . 1 . . . . . 62 GLN CA . 53417 1 275 . 1 . 1 62 62 GLN CB C 13 27.999 0.05 . 1 . . . . . 62 GLN CB . 53417 1 276 . 1 . 1 62 62 GLN CG C 13 33.450 0.00 . 1 . . . . . 62 GLN CG . 53417 1 277 . 1 . 1 62 62 GLN N N 15 127.652 0.09 . 1 . . . . . 62 GLN N . 53417 1 278 . 1 . 1 63 63 GLN H H 1 8.250 0.00 . 1 . . . . . 63 GLN H . 53417 1 279 . 1 . 1 63 63 GLN C C 13 175.997 0.00 . 1 . . . . . 63 GLN C . 53417 1 280 . 1 . 1 63 63 GLN CA C 13 58.776 0.01 . 1 . . . . . 63 GLN CA . 53417 1 281 . 1 . 1 63 63 GLN CB C 13 27.537 0.00 . 1 . . . . . 63 GLN CB . 53417 1 282 . 1 . 1 63 63 GLN N N 15 119.671 0.08 . 1 . . . . . 63 GLN N . 53417 1 283 . 1 . 1 65 65 SER H H 1 8.150 0.01 . 1 . . . . . 65 SER H . 53417 1 284 . 1 . 1 65 65 SER C C 13 174.201 0.00 . 1 . . . . . 65 SER C . 53417 1 285 . 1 . 1 65 65 SER CA C 13 61.957 0.05 . 1 . . . . . 65 SER CA . 53417 1 286 . 1 . 1 65 65 SER N N 15 119.637 0.06 . 1 . . . . . 65 SER N . 53417 1 287 . 1 . 1 66 66 THR H H 1 8.146 0.01 . 1 . . . . . 66 THR H . 53417 1 288 . 1 . 1 66 66 THR C C 13 173.233 0.00 . 1 . . . . . 66 THR C . 53417 1 289 . 1 . 1 66 66 THR CA C 13 66.441 0.03 . 1 . . . . . 66 THR CA . 53417 1 290 . 1 . 1 66 66 THR CB C 13 68.475 0.02 . 1 . . . . . 66 THR CB . 53417 1 291 . 1 . 1 66 66 THR N N 15 115.810 0.15 . 1 . . . . . 66 THR N . 53417 1 292 . 1 . 1 67 67 THR H H 1 8.111 0.00 . 1 . . . . . 67 THR H . 53417 1 293 . 1 . 1 67 67 THR C C 13 172.933 0.00 . 1 . . . . . 67 THR C . 53417 1 294 . 1 . 1 67 67 THR CA C 13 67.397 0.05 . 1 . . . . . 67 THR CA . 53417 1 295 . 1 . 1 67 67 THR N N 15 119.065 0.08 . 1 . . . . . 67 THR N . 53417 1 296 . 1 . 1 68 68 ILE H H 1 7.915 0.01 . 1 . . . . . 68 ILE H . 53417 1 297 . 1 . 1 68 68 ILE CA C 13 65.959 0.00 . 1 . . . . . 68 ILE CA . 53417 1 298 . 1 . 1 68 68 ILE CB C 13 37.579 0.00 . 1 . . . . . 68 ILE CB . 53417 1 299 . 1 . 1 68 68 ILE N N 15 120.122 0.07 . 1 . . . . . 68 ILE N . 53417 1 300 . 1 . 1 69 69 GLN H H 1 9.451 0.00 . 1 . . . . . 69 GLN H . 53417 1 301 . 1 . 1 69 69 GLN C C 13 174.991 0.00 . 1 . . . . . 69 GLN C . 53417 1 302 . 1 . 1 69 69 GLN CA C 13 57.720 0.00 . 1 . . . . . 69 GLN CA . 53417 1 303 . 1 . 1 69 69 GLN CB C 13 28.046 0.00 . 1 . . . . . 69 GLN CB . 53417 1 304 . 1 . 1 69 69 GLN N N 15 114.967 0.00 . 1 . . . . . 69 GLN N . 53417 1 305 . 1 . 1 70 70 GLU H H 1 8.288 0.00 . 1 . . . . . 70 GLU H . 53417 1 306 . 1 . 1 70 70 GLU C C 13 176.321 0.00 . 1 . . . . . 70 GLU C . 53417 1 307 . 1 . 1 70 70 GLU CA C 13 58.884 0.03 . 1 . . . . . 70 GLU CA . 53417 1 308 . 1 . 1 70 70 GLU CB C 13 29.343 0.08 . 1 . . . . . 70 GLU CB . 53417 1 309 . 1 . 1 70 70 GLU CG C 13 35.636 0.00 . 1 . . . . . 70 GLU CG . 53417 1 310 . 1 . 1 70 70 GLU N N 15 116.794 0.10 . 1 . . . . . 70 GLU N . 53417 1 311 . 1 . 1 71 71 GLU H H 1 7.365 0.00 . 1 . . . . . 71 GLU H . 53417 1 312 . 1 . 1 71 71 GLU C C 13 174.909 0.11 . 1 . . . . . 71 GLU C . 53417 1 313 . 1 . 1 71 71 GLU CA C 13 57.827 0.02 . 1 . . . . . 71 GLU CA . 53417 1 314 . 1 . 1 71 71 GLU CB C 13 28.571 0.30 . 1 . . . . . 71 GLU CB . 53417 1 315 . 1 . 1 71 71 GLU CG C 13 33.631 0.00 . 1 . . . . . 71 GLU CG . 53417 1 316 . 1 . 1 71 71 GLU N N 15 115.527 0.10 . 1 . . . . . 71 GLU N . 53417 1 317 . 1 . 1 72 72 PHE H H 1 8.103 0.00 . 1 . . . . . 72 PHE H . 53417 1 318 . 1 . 1 72 72 PHE C C 13 173.751 0.00 . 1 . . . . . 72 PHE C . 53417 1 319 . 1 . 1 72 72 PHE CA C 13 60.760 0.00 . 1 . . . . . 72 PHE CA . 53417 1 320 . 1 . 1 72 72 PHE CB C 13 41.497 0.00 . 1 . . . . . 72 PHE CB . 53417 1 321 . 1 . 1 72 72 PHE N N 15 119.976 0.09 . 1 . . . . . 72 PHE N . 53417 1 322 . 1 . 1 73 73 TYR C C 13 174.183 0.00 . 1 . . . . . 73 TYR C . 53417 1 323 . 1 . 1 73 73 TYR CA C 13 62.037 0.03 . 1 . . . . . 73 TYR CA . 53417 1 324 . 1 . 1 73 73 TYR CB C 13 41.895 0.00 . 1 . . . . . 73 TYR CB . 53417 1 325 . 1 . 1 74 74 ARG H H 1 6.992 0.00 . 1 . . . . . 74 ARG H . 53417 1 326 . 1 . 1 74 74 ARG C C 13 175.629 0.00 . 1 . . . . . 74 ARG C . 53417 1 327 . 1 . 1 74 74 ARG CA C 13 58.104 0.00 . 1 . . . . . 74 ARG CA . 53417 1 328 . 1 . 1 74 74 ARG N N 15 121.637 0.12 . 1 . . . . . 74 ARG N . 53417 1 329 . 1 . 1 75 75 VAL H H 1 8.377 0.00 . 1 . . . . . 75 VAL H . 53417 1 330 . 1 . 1 75 75 VAL C C 13 175.386 0.11 . 1 . . . . . 75 VAL C . 53417 1 331 . 1 . 1 75 75 VAL CA C 13 65.439 0.04 . 1 . . . . . 75 VAL CA . 53417 1 332 . 1 . 1 75 75 VAL CB C 13 31.313 0.00 . 1 . . . . . 75 VAL CB . 53417 1 333 . 1 . 1 75 75 VAL CG1 C 13 20.809 0.00 . 1 . . . . . 75 VAL CG# . 53417 1 334 . 1 . 1 75 75 VAL CG2 C 13 20.809 0.00 . 1 . . . . . 75 VAL CG# . 53417 1 335 . 1 . 1 75 75 VAL N N 15 116.563 0.05 . 1 . . . . . 75 VAL N . 53417 1 336 . 1 . 1 76 76 TYR H H 1 6.984 0.00 . 1 . . . . . 76 TYR H . 53417 1 337 . 1 . 1 76 76 TYR CA C 13 56.404 0.03 . 1 . . . . . 76 TYR CA . 53417 1 338 . 1 . 1 76 76 TYR CB C 13 39.767 0.00 . 1 . . . . . 76 TYR CB . 53417 1 339 . 1 . 1 76 76 TYR N N 15 121.358 0.08 . 1 . . . . . 76 TYR N . 53417 1 340 . 1 . 1 77 77 PRO C C 13 174.322 0.00 . 1 . . . . . 77 PRO C . 53417 1 341 . 1 . 1 77 77 PRO CA C 13 62.641 0.05 . 1 . . . . . 77 PRO CA . 53417 1 342 . 1 . 1 77 77 PRO CB C 13 31.541 0.03 . 1 . . . . . 77 PRO CB . 53417 1 343 . 1 . 1 78 78 TYR H H 1 8.061 0.01 . 1 . . . . . 78 TYR H . 53417 1 344 . 1 . 1 78 78 TYR CA C 13 55.792 0.02 . 1 . . . . . 78 TYR CA . 53417 1 345 . 1 . 1 78 78 TYR CB C 13 42.120 0.00 . 1 . . . . . 78 TYR CB . 53417 1 346 . 1 . 1 78 78 TYR N N 15 122.569 0.09 . 1 . . . . . 78 TYR N . 53417 1 347 . 1 . 1 79 79 LEU C C 13 176.153 0.00 . 1 . . . . . 79 LEU C . 53417 1 348 . 1 . 1 80 80 CYS H H 1 7.118 0.00 . 1 . . . . . 80 CYS H . 53417 1 349 . 1 . 1 80 80 CYS C C 13 174.565 0.00 . 1 . . . . . 80 CYS C . 53417 1 350 . 1 . 1 80 80 CYS CA C 13 63.558 0.02 . 1 . . . . . 80 CYS CA . 53417 1 351 . 1 . 1 80 80 CYS N N 15 116.241 0.12 . 1 . . . . . 80 CYS N . 53417 1 352 . 1 . 1 81 81 ARG H H 1 7.662 0.00 . 1 . . . . . 81 ARG H . 53417 1 353 . 1 . 1 81 81 ARG C C 13 176.346 0.00 . 1 . . . . . 81 ARG C . 53417 1 354 . 1 . 1 81 81 ARG CA C 13 59.539 0.02 . 1 . . . . . 81 ARG CA . 53417 1 355 . 1 . 1 81 81 ARG CB C 13 29.592 0.16 . 1 . . . . . 81 ARG CB . 53417 1 356 . 1 . 1 81 81 ARG N N 15 119.827 0.05 . 1 . . . . . 81 ARG N . 53417 1 357 . 1 . 1 82 82 ALA H H 1 7.795 0.00 . 1 . . . . . 82 ALA H . 53417 1 358 . 1 . 1 82 82 ALA C C 13 174.273 0.00 . 1 . . . . . 82 ALA C . 53417 1 359 . 1 . 1 82 82 ALA CA C 13 54.489 0.01 . 1 . . . . . 82 ALA CA . 53417 1 360 . 1 . 1 82 82 ALA CB C 13 18.651 0.06 . 1 . . . . . 82 ALA CB . 53417 1 361 . 1 . 1 82 82 ALA N N 15 122.510 0.11 . 1 . . . . . 82 ALA N . 53417 1 362 . 1 . 1 83 83 LEU H H 1 7.748 0.01 . 1 . . . . . 83 LEU H . 53417 1 363 . 1 . 1 83 83 LEU CA C 13 59.812 0.00 . 1 . . . . . 83 LEU CA . 53417 1 364 . 1 . 1 83 83 LEU CB C 13 41.140 0.00 . 1 . . . . . 83 LEU CB . 53417 1 365 . 1 . 1 83 83 LEU N N 15 117.742 0.08 . 1 . . . . . 83 LEU N . 53417 1 366 . 1 . 1 84 84 LYS C C 13 175.205 0.00 . 1 . . . . . 84 LYS C . 53417 1 367 . 1 . 1 84 84 LYS CA C 13 59.828 0.04 . 1 . . . . . 84 LYS CA . 53417 1 368 . 1 . 1 85 85 THR H H 1 7.866 0.00 . 1 . . . . . 85 THR H . 53417 1 369 . 1 . 1 85 85 THR C C 13 172.081 0.00 . 1 . . . . . 85 THR C . 53417 1 370 . 1 . 1 85 85 THR CA C 13 66.628 0.03 . 1 . . . . . 85 THR CA . 53417 1 371 . 1 . 1 85 85 THR CB C 13 68.645 0.12 . 1 . . . . . 85 THR CB . 53417 1 372 . 1 . 1 85 85 THR N N 15 115.724 0.10 . 1 . . . . . 85 THR N . 53417 1 373 . 1 . 1 86 86 PHE H H 1 8.272 0.00 . 1 . . . . . 86 PHE H . 53417 1 374 . 1 . 1 86 86 PHE C C 13 172.642 0.00 . 1 . . . . . 86 PHE C . 53417 1 375 . 1 . 1 86 86 PHE CA C 13 59.907 0.07 . 1 . . . . . 86 PHE CA . 53417 1 376 . 1 . 1 86 86 PHE CB C 13 39.450 0.03 . 1 . . . . . 86 PHE CB . 53417 1 377 . 1 . 1 86 86 PHE N N 15 121.763 0.08 . 1 . . . . . 86 PHE N . 53417 1 378 . 1 . 1 87 87 VAL H H 1 7.435 0.00 . 1 . . . . . 87 VAL H . 53417 1 379 . 1 . 1 87 87 VAL C C 13 174.795 0.00 . 1 . . . . . 87 VAL C . 53417 1 380 . 1 . 1 87 87 VAL CA C 13 57.169 0.01 . 1 . . . . . 87 VAL CA . 53417 1 381 . 1 . 1 87 87 VAL CB C 13 31.696 0.00 . 1 . . . . . 87 VAL CB . 53417 1 382 . 1 . 1 87 87 VAL N N 15 118.597 0.07 . 1 . . . . . 87 VAL N . 53417 1 383 . 1 . 1 88 88 LYS H H 1 7.280 0.00 . 1 . . . . . 88 LYS H . 53417 1 384 . 1 . 1 88 88 LYS C C 13 175.337 0.00 . 1 . . . . . 88 LYS C . 53417 1 385 . 1 . 1 88 88 LYS CA C 13 58.047 0.06 . 1 . . . . . 88 LYS CA . 53417 1 386 . 1 . 1 88 88 LYS CB C 13 34.478 0.00 . 1 . . . . . 88 LYS CB . 53417 1 387 . 1 . 1 88 88 LYS CE C 13 40.443 0.00 . 1 . . . . . 88 LYS CE . 53417 1 388 . 1 . 1 88 88 LYS N N 15 114.318 0.00 . 1 . . . . . 88 LYS N . 53417 1 389 . 1 . 1 89 89 ASP H H 1 7.987 0.01 . 1 . . . . . 89 ASP H . 53417 1 390 . 1 . 1 89 89 ASP C C 13 174.065 0.04 . 1 . . . . . 89 ASP C . 53417 1 391 . 1 . 1 89 89 ASP CA C 13 57.412 0.03 . 1 . . . . . 89 ASP CA . 53417 1 392 . 1 . 1 89 89 ASP CB C 13 39.750 0.00 . 1 . . . . . 89 ASP CB . 53417 1 393 . 1 . 1 89 89 ASP N N 15 118.456 0.09 . 1 . . . . . 89 ASP N . 53417 1 394 . 1 . 1 90 90 ARG H H 1 7.683 0.00 . 1 . . . . . 90 ARG H . 53417 1 395 . 1 . 1 90 90 ARG CA C 13 59.963 0.07 . 1 . . . . . 90 ARG CA . 53417 1 396 . 1 . 1 90 90 ARG N N 15 119.421 0.07 . 1 . . . . . 90 ARG N . 53417 1 397 . 1 . 1 91 91 LYS C C 13 172.109 0.04 . 1 . . . . . 91 LYS C . 53417 1 398 . 1 . 1 91 91 LYS CA C 13 56.034 0.01 . 1 . . . . . 91 LYS CA . 53417 1 399 . 1 . 1 91 91 LYS CB C 13 30.621 0.07 . 1 . . . . . 91 LYS CB . 53417 1 400 . 1 . 1 92 92 GLU H H 1 8.198 0.00 . 1 . . . . . 92 GLU H . 53417 1 401 . 1 . 1 92 92 GLU C C 13 173.953 0.10 . 1 . . . . . 92 GLU C . 53417 1 402 . 1 . 1 92 92 GLU CA C 13 54.472 0.07 . 1 . . . . . 92 GLU CA . 53417 1 403 . 1 . 1 92 92 GLU CB C 13 31.405 0.00 . 1 . . . . . 92 GLU CB . 53417 1 404 . 1 . 1 92 92 GLU N N 15 124.470 0.10 . 1 . . . . . 92 GLU N . 53417 1 405 . 1 . 1 93 93 ILE H H 1 7.889 0.00 . 1 . . . . . 93 ILE H . 53417 1 406 . 1 . 1 93 93 ILE N N 15 121.875 0.05 . 1 . . . . . 93 ILE N . 53417 1 407 . 1 . 1 95 95 LEU C C 13 176.035 0.00 . 1 . . . . . 95 LEU C . 53417 1 408 . 1 . 1 96 96 ALA H H 1 9.517 0.01 . 1 . . . . . 96 ALA H . 53417 1 409 . 1 . 1 96 96 ALA C C 13 173.765 0.00 . 1 . . . . . 96 ALA C . 53417 1 410 . 1 . 1 96 96 ALA CA C 13 51.678 0.06 . 1 . . . . . 96 ALA CA . 53417 1 411 . 1 . 1 96 96 ALA CB C 13 17.870 0.06 . 1 . . . . . 96 ALA CB . 53417 1 412 . 1 . 1 96 96 ALA N N 15 129.150 0.12 . 1 . . . . . 96 ALA N . 53417 1 413 . 1 . 1 97 97 LYS H H 1 7.301 0.01 . 1 . . . . . 97 LYS H . 53417 1 414 . 1 . 1 97 97 LYS C C 13 171.286 0.05 . 1 . . . . . 97 LYS C . 53417 1 415 . 1 . 1 97 97 LYS CA C 13 56.565 0.07 . 1 . . . . . 97 LYS CA . 53417 1 416 . 1 . 1 97 97 LYS CB C 13 34.100 0.00 . 1 . . . . . 97 LYS CB . 53417 1 417 . 1 . 1 97 97 LYS N N 15 120.590 0.08 . 1 . . . . . 97 LYS N . 53417 1 418 . 1 . 1 98 98 ASP H H 1 8.609 0.00 . 1 . . . . . 98 ASP H . 53417 1 419 . 1 . 1 98 98 ASP C C 13 174.373 0.00 . 1 . . . . . 98 ASP C . 53417 1 420 . 1 . 1 98 98 ASP CA C 13 56.507 0.07 . 1 . . . . . 98 ASP CA . 53417 1 421 . 1 . 1 98 98 ASP N N 15 115.899 0.04 . 1 . . . . . 98 ASP N . 53417 1 422 . 1 . 1 99 99 PHE H H 1 7.169 0.00 . 1 . . . . . 99 PHE H . 53417 1 423 . 1 . 1 99 99 PHE C C 13 174.787 0.00 . 1 . . . . . 99 PHE C . 53417 1 424 . 1 . 1 99 99 PHE CA C 13 57.823 0.07 . 1 . . . . . 99 PHE CA . 53417 1 425 . 1 . 1 99 99 PHE N N 15 119.701 0.12 . 1 . . . . . 99 PHE N . 53417 1 426 . 1 . 1 100 100 TYR H H 1 7.546 0.00 . 1 . . . . . 100 TYR H . 53417 1 427 . 1 . 1 100 100 TYR C C 13 173.566 0.01 . 1 . . . . . 100 TYR C . 53417 1 428 . 1 . 1 100 100 TYR CA C 13 55.541 0.04 . 1 . . . . . 100 TYR CA . 53417 1 429 . 1 . 1 100 100 TYR CB C 13 39.906 0.00 . 1 . . . . . 100 TYR CB . 53417 1 430 . 1 . 1 100 100 TYR N N 15 114.865 0.09 . 1 . . . . . 100 TYR N . 53417 1 431 . 1 . 1 101 101 VAL H H 1 7.049 0.00 . 1 . . . . . 101 VAL H . 53417 1 432 . 1 . 1 101 101 VAL CA C 13 61.845 0.00 . 1 . . . . . 101 VAL CA . 53417 1 433 . 1 . 1 101 101 VAL N N 15 113.193 0.04 . 1 . . . . . 101 VAL N . 53417 1 434 . 1 . 1 102 102 ALA H H 1 8.086 0.01 . 1 . . . . . 102 ALA H . 53417 1 435 . 1 . 1 102 102 ALA CB C 13 19.211 0.00 . 1 . . . . . 102 ALA CB . 53417 1 436 . 1 . 1 102 102 ALA N N 15 124.328 0.04 . 1 . . . . . 102 ALA N . 53417 1 stop_ save_