data_27066 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27066 _Entry.Title ; Chemical Shift Assignment of the PP1 and Microtubule binding domain of phosphorylated human KNL-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-04-06 _Entry.Accession_date 2017-04-06 _Entry.Last_release_date 2017-04-07 _Entry.Original_release_date 2017-04-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'KNL-1 was phosphorylated by Aurora B kinase.' _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 Rakhi Bajaj . . . . 27066 2 Rebecca Page . . . . 27066 3 Wolfgang Peti . . . . 27066 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Brown University' . 27066 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27066 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 233 27066 '15N chemical shifts' 78 27066 '1H chemical shifts' 78 27066 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 . . 2019-01-10 . original BMRB . 27066 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27066 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30100357 _Citation.Full_citation . _Citation.Title ; KNL1 Binding to PP1 and Microtubules Is Mutually Exclusive. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 26 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1878-4186 _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 1327 _Citation.Page_last 11336 _Citation.Year 2018 _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 Rakhi Bajaj R. . . . 27066 1 2 Mathieu Bollen M. . . . 27066 1 3 Wolfgang Peti W. . . . 27066 1 4 Rebecca Page R. . . . 27066 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Aurora B kinase' 27066 1 KNL-1 27066 1 Kinetochore 27066 1 'Microtubule binding' 27066 1 'cell cycle' 27066 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27066 _Assembly.ID 1 _Assembly.Name pKNL-1 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Human Kinetochore null protein 1' 1 $pKNL-1 A . yes 'intrinsically disordered' no no . . . 27066 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_pKNL-1 _Entity.Sf_category entity _Entity.Sf_framecode pKNL-1 _Entity.Entry_ID 27066 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name pKNL-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 ; GAMGMDGVSSEANEENDNIE RPVRRRHXXILKPPRSPLQD LRGGNETVQESNALRNKKNX RRVXFADTIKVFQTESHMKI VRKS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 1,G _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 84 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment ; Phosphorylated form of 80 N- terminal residues of KNL-1 that has been phosphorylated by Aurora B kinase. ; _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Microtubule binding, kinetochore scafolding protein, Protein Phosphatase 1 binding' 27066 1 stop_ 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 . GLY . 27066 1 2 . ALA . 27066 1 3 . MET . 27066 1 4 . GLY . 27066 1 5 . MET . 27066 1 6 . ASP . 27066 1 7 . GLY . 27066 1 8 . VAL . 27066 1 9 . SER . 27066 1 10 . SER . 27066 1 11 . GLU . 27066 1 12 . ALA . 27066 1 13 . ASN . 27066 1 14 . GLU . 27066 1 15 . GLU . 27066 1 16 . ASN . 27066 1 17 . ASP . 27066 1 18 . ASN . 27066 1 19 . ILE . 27066 1 20 . GLU . 27066 1 21 . ARG . 27066 1 22 . PRO . 27066 1 23 . VAL . 27066 1 24 . ARG . 27066 1 25 . ARG . 27066 1 26 . ARG . 27066 1 27 . HIS . 27066 1 28 . SEP . 27066 1 29 . SEP . 27066 1 30 . ILE . 27066 1 31 . LEU . 27066 1 32 . LYS . 27066 1 33 . PRO . 27066 1 34 . PRO . 27066 1 35 . ARG . 27066 1 36 . SER . 27066 1 37 . PRO . 27066 1 38 . LEU . 27066 1 39 . GLN . 27066 1 40 . ASP . 27066 1 41 . LEU . 27066 1 42 . ARG . 27066 1 43 . GLY . 27066 1 44 . GLY . 27066 1 45 . ASN . 27066 1 46 . GLU . 27066 1 47 . THR . 27066 1 48 . VAL . 27066 1 49 . GLN . 27066 1 50 . GLU . 27066 1 51 . SER . 27066 1 52 . ASN . 27066 1 53 . ALA . 27066 1 54 . LEU . 27066 1 55 . ARG . 27066 1 56 . ASN . 27066 1 57 . LYS . 27066 1 58 . LYS . 27066 1 59 . ASN . 27066 1 60 . SEP . 27066 1 61 . ARG . 27066 1 62 . ARG . 27066 1 63 . VAL . 27066 1 64 . SEP . 27066 1 65 . PHE . 27066 1 66 . ALA . 27066 1 67 . ASP . 27066 1 68 . THR . 27066 1 69 . ILE . 27066 1 70 . LYS . 27066 1 71 . VAL . 27066 1 72 . PHE . 27066 1 73 . GLN . 27066 1 74 . THR . 27066 1 75 . GLU . 27066 1 76 . SER . 27066 1 77 . HIS . 27066 1 78 . MET . 27066 1 79 . LYS . 27066 1 80 . ILE . 27066 1 81 . VAL . 27066 1 82 . ARG . 27066 1 83 . LYS . 27066 1 84 . SER . 27066 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 27066 1 . ALA 2 2 27066 1 . MET 3 3 27066 1 . GLY 4 4 27066 1 . MET 5 5 27066 1 . ASP 6 6 27066 1 . GLY 7 7 27066 1 . VAL 8 8 27066 1 . SER 9 9 27066 1 . SER 10 10 27066 1 . GLU 11 11 27066 1 . ALA 12 12 27066 1 . ASN 13 13 27066 1 . GLU 14 14 27066 1 . GLU 15 15 27066 1 . ASN 16 16 27066 1 . ASP 17 17 27066 1 . ASN 18 18 27066 1 . ILE 19 19 27066 1 . GLU 20 20 27066 1 . ARG 21 21 27066 1 . PRO 22 22 27066 1 . VAL 23 23 27066 1 . ARG 24 24 27066 1 . ARG 25 25 27066 1 . ARG 26 26 27066 1 . HIS 27 27 27066 1 . SEP 28 28 27066 1 . SEP 29 29 27066 1 . ILE 30 30 27066 1 . LEU 31 31 27066 1 . LYS 32 32 27066 1 . PRO 33 33 27066 1 . PRO 34 34 27066 1 . ARG 35 35 27066 1 . SER 36 36 27066 1 . PRO 37 37 27066 1 . LEU 38 38 27066 1 . GLN 39 39 27066 1 . ASP 40 40 27066 1 . LEU 41 41 27066 1 . ARG 42 42 27066 1 . GLY 43 43 27066 1 . GLY 44 44 27066 1 . ASN 45 45 27066 1 . GLU 46 46 27066 1 . THR 47 47 27066 1 . VAL 48 48 27066 1 . GLN 49 49 27066 1 . GLU 50 50 27066 1 . SER 51 51 27066 1 . ASN 52 52 27066 1 . ALA 53 53 27066 1 . LEU 54 54 27066 1 . ARG 55 55 27066 1 . ASN 56 56 27066 1 . LYS 57 57 27066 1 . LYS 58 58 27066 1 . ASN 59 59 27066 1 . SEP 60 60 27066 1 . ARG 61 61 27066 1 . ARG 62 62 27066 1 . VAL 63 63 27066 1 . SEP 64 64 27066 1 . PHE 65 65 27066 1 . ALA 66 66 27066 1 . ASP 67 67 27066 1 . THR 68 68 27066 1 . ILE 69 69 27066 1 . LYS 70 70 27066 1 . VAL 71 71 27066 1 . PHE 72 72 27066 1 . GLN 73 73 27066 1 . THR 74 74 27066 1 . GLU 75 75 27066 1 . SER 76 76 27066 1 . HIS 77 77 27066 1 . MET 78 78 27066 1 . LYS 79 79 27066 1 . ILE 80 80 27066 1 . VAL 81 81 27066 1 . ARG 82 82 27066 1 . LYS 83 83 27066 1 . SER 84 84 27066 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 27066 _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 $pKNL-1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27066 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 27066 _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 $pKNL-1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pETM30-MBP . . . 27066 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27066 _Sample.ID 1 _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 pKNL-1 '[U-98% 13C; U-98% 15N]' . . 1 $pKNL-1 . . 0.6 . . mM . . . . 27066 1 2 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 27066 1 3 'Sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27066 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 27066 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 27066 1 pressure 1 . atm 27066 1 temperature 283 . K 27066 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 27066 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version 1.8.4.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 27066 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27066 1 stop_ save_ save_Topsin _Software.Sf_category software _Software.Sf_framecode Topsin _Software.Entry_ID 27066 _Software.ID 2 _Software.Type . _Software.Name Topsin _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27066 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27066 2 processing 27066 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27066 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27066 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 27066 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 850 . . . 27066 1 2 spectrometer_2 Bruker Avance . 500 . . . 27066 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 27066 _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 $spectrometer_1 . . . . . . . . . . . . . . . . 27066 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27066 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27066 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27066 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27066 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27066 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 27066 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' . . . . 27066 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0 'separate tube (no insert) similar to the experimental sample tube' . . . . 27066 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' . . . . 27066 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 27066 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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' . . . 27066 1 2 '3D HNCA' . . . 27066 1 3 '3D HN(CO)CA' . . . 27066 1 4 '3D CBCA(CO)NH' . . . 27066 1 5 '3D HNCACB' . . . 27066 1 6 '3D C(CO)NH' . . . 27066 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 $CARA . . 27066 1 2 $Topsin . . 27066 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 2 2 ALA H H 1 8.467 0.020 . 1 . . . . . 2 ALA H . 27066 1 2 . 1 1 2 2 ALA CA C 13 52.380 0.3 . 1 . . . . . 2 ALA CA . 27066 1 3 . 1 1 2 2 ALA CB C 13 19.070 0.3 . 1 . . . . . 2 ALA CB . 27066 1 4 . 1 1 2 2 ALA N N 15 123.347 0.3 . 1 . . . . . 2 ALA N . 27066 1 5 . 1 1 3 3 MET H H 1 8.421 0.020 . 1 . . . . . 3 MET H . 27066 1 6 . 1 1 3 3 MET CA C 13 55.366 0.3 . 1 . . . . . 3 MET CA . 27066 1 7 . 1 1 3 3 MET CB C 13 32.346 0.3 . 1 . . . . . 3 MET CB . 27066 1 8 . 1 1 3 3 MET CG C 13 31.678 0.3 . 1 . . . . . 3 MET CG . 27066 1 9 . 1 1 3 3 MET N N 15 119.746 0.3 . 1 . . . . . 3 MET N . 27066 1 10 . 1 1 4 4 GLY H H 1 8.288 0.020 . 1 . . . . . 4 GLY H . 27066 1 11 . 1 1 4 4 GLY CA C 13 45.039 0.3 . 1 . . . . . 4 GLY CA . 27066 1 12 . 1 1 4 4 GLY N N 15 110.297 0.3 . 1 . . . . . 4 GLY N . 27066 1 13 . 1 1 5 5 MET H H 1 8.173 0.020 . 1 . . . . . 5 MET H . 27066 1 14 . 1 1 5 5 MET CA C 13 55.270 0.3 . 1 . . . . . 5 MET CA . 27066 1 15 . 1 1 5 5 MET CB C 13 32.311 0.3 . 1 . . . . . 5 MET CB . 27066 1 16 . 1 1 5 5 MET CG C 13 31.694 0.3 . 1 . . . . . 5 MET CG . 27066 1 17 . 1 1 5 5 MET N N 15 119.797 0.3 . 1 . . . . . 5 MET N . 27066 1 18 . 1 1 6 6 ASP H H 1 8.274 0.020 . 1 . . . . . 6 ASP H . 27066 1 19 . 1 1 6 6 ASP CA C 13 54.234 0.3 . 1 . . . . . 6 ASP CA . 27066 1 20 . 1 1 6 6 ASP CB C 13 40.593 0.3 . 1 . . . . . 6 ASP CB . 27066 1 21 . 1 1 6 6 ASP N N 15 120.510 0.3 . 1 . . . . . 6 ASP N . 27066 1 22 . 1 1 7 7 GLY H H 1 8.132 0.020 . 1 . . . . . 7 GLY H . 27066 1 23 . 1 1 7 7 GLY CA C 13 45.039 0.3 . 1 . . . . . 7 GLY CA . 27066 1 24 . 1 1 7 7 GLY N N 15 108.826 0.3 . 1 . . . . . 7 GLY N . 27066 1 25 . 1 1 8 8 VAL H H 1 7.756 0.020 . 1 . . . . . 8 VAL H . 27066 1 26 . 1 1 8 8 VAL CA C 13 61.969 0.3 . 1 . . . . . 8 VAL CA . 27066 1 27 . 1 1 8 8 VAL CB C 13 32.433 0.3 . 1 . . . . . 8 VAL CB . 27066 1 28 . 1 1 8 8 VAL CG1 C 13 20.191 0.3 . 1 . . . . . 8 VAL CG1 . 27066 1 29 . 1 1 8 8 VAL CG2 C 13 20.191 0.3 . 1 . . . . . 8 VAL CG2 . 27066 1 30 . 1 1 8 8 VAL N N 15 119.323 0.3 . 1 . . . . . 8 VAL N . 27066 1 31 . 1 1 9 9 SER H H 1 8.407 0.020 . 1 . . . . . 9 SEP H . 27066 1 32 . 1 1 9 9 SER CA C 13 57.985 0.3 . 1 . . . . . 9 SEP CA . 27066 1 33 . 1 1 9 9 SER CB C 13 63.344 0.3 . 1 . . . . . 9 SEP CB . 27066 1 34 . 1 1 9 9 SER N N 15 120.249 0.3 . 1 . . . . . 9 SEP N . 27066 1 35 . 1 1 10 10 SER H H 1 8.323 0.020 . 1 . . . . . 10 SEP H . 27066 1 36 . 1 1 10 10 SER CA C 13 58.193 0.3 . 1 . . . . . 10 SEP CA . 27066 1 37 . 1 1 10 10 SER CB C 13 63.917 0.3 . 1 . . . . . 10 SEP CB . 27066 1 38 . 1 1 10 10 SER N N 15 118.510 0.3 . 1 . . . . . 10 SEP N . 27066 1 39 . 1 1 11 11 GLU H H 1 8.274 0.020 . 1 . . . . . 11 GLU H . 27066 1 40 . 1 1 11 11 GLU CA C 13 56.353 0.3 . 1 . . . . . 11 GLU CA . 27066 1 41 . 1 1 11 11 GLU CB C 13 29.753 0.3 . 1 . . . . . 11 GLU CB . 27066 1 42 . 1 1 11 11 GLU CG C 13 35.967 0.3 . 1 . . . . . 11 GLU CG . 27066 1 43 . 1 1 11 11 GLU N N 15 122.507 0.3 . 1 . . . . . 11 GLU N . 27066 1 44 . 1 1 12 12 ALA H H 1 8.127 0.020 . 1 . . . . . 12 ALA H . 27066 1 45 . 1 1 12 12 ALA CA C 13 52.443 0.3 . 1 . . . . . 12 ALA CA . 27066 1 46 . 1 1 12 12 ALA CB C 13 18.766 0.3 . 1 . . . . . 12 ALA CB . 27066 1 47 . 1 1 12 12 ALA N N 15 124.586 0.3 . 1 . . . . . 12 ALA N . 27066 1 48 . 1 1 13 13 ASN H H 1 8.220 0.020 . 1 . . . . . 13 ASN H . 27066 1 49 . 1 1 13 13 ASN CA C 13 53.077 0.3 . 1 . . . . . 13 ASN CA . 27066 1 50 . 1 1 13 13 ASN CB C 13 38.523 0.3 . 1 . . . . . 13 ASN CB . 27066 1 51 . 1 1 13 13 ASN N N 15 118.232 0.3 . 1 . . . . . 13 ASN N . 27066 1 52 . 1 1 14 14 GLU H H 1 8.304 0.020 . 1 . . . . . 14 GLU H . 27066 1 53 . 1 1 14 14 GLU CA C 13 56.680 0.3 . 1 . . . . . 14 GLU CA . 27066 1 54 . 1 1 14 14 GLU CB C 13 29.789 0.3 . 1 . . . . . 14 GLU CB . 27066 1 55 . 1 1 14 14 GLU CG C 13 35.988 0.3 . 1 . . . . . 14 GLU CG . 27066 1 56 . 1 1 14 14 GLU N N 15 121.387 0.3 . 1 . . . . . 14 GLU N . 27066 1 57 . 1 1 15 15 GLU H H 1 8.271 0.020 . 1 . . . . . 15 GLU H . 27066 1 58 . 1 1 15 15 GLU CA C 13 56.637 0.3 . 1 . . . . . 15 GLU CA . 27066 1 59 . 1 1 15 15 GLU CB C 13 29.997 0.3 . 1 . . . . . 15 GLU CB . 27066 1 60 . 1 1 15 15 GLU CG C 13 35.967 0.3 . 1 . . . . . 15 GLU CG . 27066 1 61 . 1 1 15 15 GLU N N 15 121.131 0.3 . 1 . . . . . 15 GLU N . 27066 1 62 . 1 1 16 16 ASN H H 1 8.199 0.020 . 1 . . . . . 16 ASN H . 27066 1 63 . 1 1 16 16 ASN CA C 13 53.077 0.3 . 1 . . . . . 16 ASN CA . 27066 1 64 . 1 1 16 16 ASN CB C 13 38.766 0.3 . 1 . . . . . 16 ASN CB . 27066 1 65 . 1 1 16 16 ASN N N 15 119.104 0.3 . 1 . . . . . 16 ASN N . 27066 1 66 . 1 1 17 17 ASP H H 1 8.153 0.020 . 1 . . . . . 17 ASP H . 27066 1 67 . 1 1 17 17 ASP CA C 13 54.417 0.3 . 1 . . . . . 17 ASP CA . 27066 1 68 . 1 1 17 17 ASP CB C 13 40.715 0.3 . 1 . . . . . 17 ASP CB . 27066 1 69 . 1 1 17 17 ASP N N 15 120.530 0.3 . 1 . . . . . 17 ASP N . 27066 1 70 . 1 1 18 18 ASN H H 1 8.166 0.020 . 1 . . . . . 18 ASN H . 27066 1 71 . 1 1 18 18 ASN CA C 13 53.077 0.3 . 1 . . . . . 18 ASN CA . 27066 1 72 . 1 1 18 18 ASN CB C 13 38.401 0.3 . 1 . . . . . 18 ASN CB . 27066 1 73 . 1 1 18 18 ASN N N 15 118.069 0.3 . 1 . . . . . 18 ASN N . 27066 1 74 . 1 1 19 19 ILE H H 1 7.734 0.020 . 1 . . . . . 19 ILE H . 27066 1 75 . 1 1 19 19 ILE CA C 13 61.177 0.3 . 1 . . . . . 19 ILE CA . 27066 1 76 . 1 1 19 19 ILE CB C 13 38.096 0.3 . 1 . . . . . 19 ILE CB . 27066 1 77 . 1 1 19 19 ILE CG1 C 13 27.163 0.3 . 1 . . . . . 19 ILE CG1 . 27066 1 78 . 1 1 19 19 ILE CG2 C 13 17.309 0.3 . 1 . . . . . 19 ILE CG2 . 27066 1 79 . 1 1 19 19 ILE N N 15 120.416 0.3 . 1 . . . . . 19 ILE N . 27066 1 80 . 1 1 20 20 GLU H H 1 8.260 0.020 . 1 . . . . . 20 GLU H . 27066 1 81 . 1 1 20 20 GLU CA C 13 56.484 0.3 . 1 . . . . . 20 GLU CA . 27066 1 82 . 1 1 20 20 GLU CB C 13 29.571 0.3 . 1 . . . . . 20 GLU CB . 27066 1 83 . 1 1 20 20 GLU CG C 13 35.725 0.3 . 1 . . . . . 20 GLU CG . 27066 1 84 . 1 1 20 20 GLU N N 15 124.160 0.3 . 1 . . . . . 20 GLU N . 27066 1 85 . 1 1 21 21 ARG H H 1 8.118 0.020 . 1 . . . . . 21 ARG H . 27066 1 86 . 1 1 21 21 ARG CA C 13 53.602 0.3 . 1 . . . . . 21 ARG CA . 27066 1 87 . 1 1 21 21 ARG CB C 13 29.997 0.3 . 1 . . . . . 21 ARG CB . 27066 1 88 . 1 1 21 21 ARG N N 15 123.349 0.3 . 1 . . . . . 21 ARG N . 27066 1 89 . 1 1 22 22 PRO CA C 13 62.858 0.3 . 1 . . . . . 22 PRO CA . 27066 1 90 . 1 1 22 22 PRO CB C 13 31.763 0.3 . 1 . . . . . 22 PRO CB . 27066 1 91 . 1 1 22 22 PRO CG C 13 27.159 0.3 . 1 . . . . . 22 PRO CG . 27066 1 92 . 1 1 23 23 VAL H H 1 8.133 0.020 . 1 . . . . . 23 VAL H . 27066 1 93 . 1 1 23 23 VAL CA C 13 62.273 0.3 . 1 . . . . . 23 VAL CA . 27066 1 94 . 1 1 23 23 VAL CB C 13 32.250 0.3 . 1 . . . . . 23 VAL CB . 27066 1 95 . 1 1 23 23 VAL CG1 C 13 20.628 0.3 . 1 . . . . . 23 VAL CG1 . 27066 1 96 . 1 1 23 23 VAL CG2 C 13 20.628 0.3 . 1 . . . . . 23 VAL CG2 . 27066 1 97 . 1 1 23 23 VAL N N 15 120.901 0.3 . 1 . . . . . 23 VAL N . 27066 1 98 . 1 1 24 24 ARG H H 1 8.276 0.020 . 1 . . . . . 24 ARG H . 27066 1 99 . 1 1 24 24 ARG CA C 13 55.427 0.3 . 1 . . . . . 24 ARG CA . 27066 1 100 . 1 1 24 24 ARG CB C 13 30.519 0.3 . 1 . . . . . 24 ARG CB . 27066 1 101 . 1 1 24 24 ARG CG C 13 26.700 0.3 . 1 . . . . . 24 ARG CG . 27066 1 102 . 1 1 24 24 ARG CD C 13 43.073 0.3 . 1 . . . . . 24 ARG CD . 27066 1 103 . 1 1 24 24 ARG N N 15 125.503 0.3 . 1 . . . . . 24 ARG N . 27066 1 104 . 1 1 25 25 ARG H H 1 8.320 0.020 . 1 . . . . . 25 ARG H . 27066 1 105 . 1 1 25 25 ARG CA C 13 55.827 0.3 . 1 . . . . . 25 ARG CA . 27066 1 106 . 1 1 25 25 ARG CB C 13 30.449 0.3 . 1 . . . . . 25 ARG CB . 27066 1 107 . 1 1 25 25 ARG CG C 13 26.830 0.3 . 1 . . . . . 25 ARG CG . 27066 1 108 . 1 1 25 25 ARG CD C 13 42.960 0.3 . 1 . . . . . 25 ARG CD . 27066 1 109 . 1 1 25 25 ARG N N 15 123.959 0.3 . 1 . . . . . 25 ARG N . 27066 1 110 . 1 1 26 26 ARG H H 1 8.491 0.020 . 1 . . . . . 26 ARG H . 27066 1 111 . 1 1 26 26 ARG CA C 13 55.792 0.3 . 1 . . . . . 26 ARG CA . 27066 1 112 . 1 1 26 26 ARG CB C 13 30.458 0.3 . 1 . . . . . 26 ARG CB . 27066 1 113 . 1 1 26 26 ARG CG C 13 26.801 0.3 . 1 . . . . . 26 ARG CG . 27066 1 114 . 1 1 26 26 ARG CD C 13 42.835 0.3 . 1 . . . . . 26 ARG CD . 27066 1 115 . 1 1 26 26 ARG N N 15 123.381 0.3 . 1 . . . . . 26 ARG N . 27066 1 116 . 1 1 27 27 HIS H H 1 8.646 0.020 . 1 . . . . . 27 HIS H . 27066 1 117 . 1 1 27 27 HIS CA C 13 55.982 0.3 . 1 . . . . . 27 HIS CA . 27066 1 118 . 1 1 27 27 HIS CB C 13 28.804 0.3 . 1 . . . . . 27 HIS CB . 27066 1 119 . 1 1 27 27 HIS N N 15 121.776 0.3 . 1 . . . . . 27 HIS N . 27066 1 120 . 1 1 28 28 SEP H H 1 8.868 0.020 . 1 . . . . . 28 SER H . 27066 1 121 . 1 1 28 28 SEP CA C 13 58.289 0.3 . 1 . . . . . 28 SER CA . 27066 1 122 . 1 1 28 28 SEP CB C 13 65.171 0.3 . 1 . . . . . 28 SER CB . 27066 1 123 . 1 1 28 28 SEP N N 15 118.871 0.3 . 1 . . . . . 28 SER N . 27066 1 124 . 1 1 29 29 SEP H H 1 8.771 0.020 . 1 . . . . . 29 SER H . 27066 1 125 . 1 1 29 29 SEP CA C 13 58.167 0.3 . 1 . . . . . 29 SER CA . 27066 1 126 . 1 1 29 29 SEP CB C 13 65.171 0.3 . 1 . . . . . 29 SER CB . 27066 1 127 . 1 1 29 29 SEP N N 15 118.986 0.3 . 1 . . . . . 29 SER N . 27066 1 128 . 1 1 30 30 ILE H H 1 7.765 0.020 . 1 . . . . . 30 ILE H . 27066 1 129 . 1 1 30 30 ILE CA C 13 61.517 0.3 . 1 . . . . . 30 ILE CA . 27066 1 130 . 1 1 30 30 ILE CB C 13 38.132 0.3 . 1 . . . . . 30 ILE CB . 27066 1 131 . 1 1 30 30 ILE CG1 C 13 27.315 0.3 . 1 . . . . . 30 ILE CG1 . 27066 1 132 . 1 1 30 30 ILE CG2 C 13 17.188 0.3 . 1 . . . . . 30 ILE CG2 . 27066 1 133 . 1 1 30 30 ILE CD1 C 13 12.761 0.3 . 1 . . . . . 30 ILE CD1 . 27066 1 134 . 1 1 30 30 ILE N N 15 121.611 0.3 . 1 . . . . . 30 ILE N . 27066 1 135 . 1 1 31 31 LEU H H 1 7.897 0.020 . 1 . . . . . 31 LEU H . 27066 1 136 . 1 1 31 31 LEU CA C 13 54.879 0.3 . 1 . . . . . 31 LEU CA . 27066 1 137 . 1 1 31 31 LEU CB C 13 41.725 0.3 . 1 . . . . . 31 LEU CB . 27066 1 138 . 1 1 31 31 LEU CG C 13 26.708 0.3 . 1 . . . . . 31 LEU CG . 27066 1 139 . 1 1 31 31 LEU CD1 C 13 24.222 0.3 . 1 . . . . . 31 LEU CD1 . 27066 1 140 . 1 1 31 31 LEU CD2 C 13 24.222 0.3 . 1 . . . . . 31 LEU CD2 . 27066 1 141 . 1 1 31 31 LEU N N 15 124.576 0.3 . 1 . . . . . 31 LEU N . 27066 1 142 . 1 1 32 32 LYS H H 1 8.002 0.020 . 1 . . . . . 32 LYS H . 27066 1 143 . 1 1 32 32 LYS CA C 13 53.821 0.3 . 1 . . . . . 32 LYS CA . 27066 1 144 . 1 1 32 32 LYS CB C 13 31.971 0.3 . 1 . . . . . 32 LYS CB . 27066 1 145 . 1 1 32 32 LYS N N 15 123.701 0.3 . 1 . . . . . 32 LYS N . 27066 1 146 . 1 1 34 34 PRO CA C 13 62.573 0.3 . 1 . . . . . 34 PRO CA . 27066 1 147 . 1 1 35 35 ARG H H 1 8.285 0.020 . 1 . . . . . 35 ARG H . 27066 1 148 . 1 1 35 35 ARG CA C 13 55.749 0.3 . 1 . . . . . 35 ARG CA . 27066 1 149 . 1 1 35 35 ARG CB C 13 30.100 0.3 . 1 . . . . . 35 ARG CB . 27066 1 150 . 1 1 35 35 ARG CG C 13 26.769 0.3 . 1 . . . . . 35 ARG CG . 27066 1 151 . 1 1 35 35 ARG CD C 13 42.960 0.3 . 1 . . . . . 35 ARG CD . 27066 1 152 . 1 1 35 35 ARG N N 15 121.227 0.3 . 1 . . . . . 35 ARG N . 27066 1 153 . 1 1 36 36 SER H H 1 8.309 0.020 . 1 . . . . . 36 SER H . 27066 1 154 . 1 1 36 36 SER CA C 13 58.132 0.3 . 1 . . . . . 36 SER CA . 27066 1 155 . 1 1 36 36 SER CB C 13 63.247 0.3 . 1 . . . . . 36 SER CB . 27066 1 156 . 1 1 36 36 SER N N 15 118.835 0.3 . 1 . . . . . 36 SER N . 27066 1 157 . 1 1 37 37 PRO CA C 13 63.308 0.3 . 1 . . . . . 37 PRO CA . 27066 1 158 . 1 1 37 37 PRO CB C 13 31.885 0.3 . 1 . . . . . 37 PRO CB . 27066 1 159 . 1 1 37 37 PRO CG C 13 27.315 0.3 . 1 . . . . . 37 PRO CG . 27066 1 160 . 1 1 38 38 LEU H H 1 8.030 0.020 . 1 . . . . . 38 LEU H . 27066 1 161 . 1 1 38 38 LEU CA C 13 55.270 0.3 . 1 . . . . . 38 LEU CA . 27066 1 162 . 1 1 38 38 LEU CB C 13 41.507 0.3 . 1 . . . . . 38 LEU CB . 27066 1 163 . 1 1 38 38 LEU CG C 13 26.951 0.3 . 1 . . . . . 38 LEU CG . 27066 1 164 . 1 1 38 38 LEU CD1 C 13 24.222 0.3 . 1 . . . . . 38 LEU CD1 . 27066 1 165 . 1 1 38 38 LEU CD2 C 13 24.222 0.3 . 1 . . . . . 38 LEU CD2 . 27066 1 166 . 1 1 38 38 LEU N N 15 120.804 0.3 . 1 . . . . . 38 LEU N . 27066 1 167 . 1 1 39 39 GLN H H 1 8.002 0.020 . 1 . . . . . 39 GLN H . 27066 1 168 . 1 1 39 39 GLN CA C 13 55.818 0.3 . 1 . . . . . 39 GLN CA . 27066 1 169 . 1 1 39 39 GLN CB C 13 29.266 0.3 . 1 . . . . . 39 GLN CB . 27066 1 170 . 1 1 39 39 GLN CG C 13 33.136 0.3 . 1 . . . . . 39 GLN CG . 27066 1 171 . 1 1 39 39 GLN N N 15 120.206 0.3 . 1 . . . . . 39 GLN N . 27066 1 172 . 1 1 40 40 ASP H H 1 8.132 0.020 . 1 . . . . . 40 ASP H . 27066 1 173 . 1 1 40 40 ASP CA C 13 54.061 0.3 . 1 . . . . . 40 ASP CA . 27066 1 174 . 1 1 40 40 ASP CB C 13 40.837 0.3 . 1 . . . . . 40 ASP CB . 27066 1 175 . 1 1 40 40 ASP N N 15 121.408 0.3 . 1 . . . . . 40 ASP N . 27066 1 176 . 1 1 41 41 LEU H H 1 8.071 0.020 . 1 . . . . . 41 LEU H . 27066 1 177 . 1 1 41 41 LEU CA C 13 55.174 0.3 . 1 . . . . . 41 LEU CA . 27066 1 178 . 1 1 41 41 LEU CB C 13 41.359 0.3 . 1 . . . . . 41 LEU CB . 27066 1 179 . 1 1 41 41 LEU CD1 C 13 24.690 0.3 . 1 . . . . . 41 LEU CD1 . 27066 1 180 . 1 1 41 41 LEU CD2 C 13 24.690 0.3 . 1 . . . . . 41 LEU CD2 . 27066 1 181 . 1 1 41 41 LEU N N 15 122.955 0.3 . 1 . . . . . 41 LEU N . 27066 1 182 . 1 1 42 42 ARG H H 1 8.175 0.020 . 1 . . . . . 42 ARG H . 27066 1 183 . 1 1 42 42 ARG CA C 13 56.305 0.3 . 1 . . . . . 42 ARG CA . 27066 1 184 . 1 1 42 42 ARG CB C 13 30.064 0.3 . 1 . . . . . 42 ARG CB . 27066 1 185 . 1 1 42 42 ARG CG C 13 26.526 0.3 . 1 . . . . . 42 ARG CG . 27066 1 186 . 1 1 42 42 ARG CD C 13 42.839 0.3 . 1 . . . . . 42 ARG CD . 27066 1 187 . 1 1 42 42 ARG N N 15 120.903 0.3 . 1 . . . . . 42 ARG N . 27066 1 188 . 1 1 43 43 GLY H H 1 8.235 0.020 . 1 . . . . . 43 GLY H . 27066 1 189 . 1 1 43 43 GLY CA C 13 45.039 0.3 . 1 . . . . . 43 GLY CA . 27066 1 190 . 1 1 43 43 GLY N N 15 109.288 0.3 . 1 . . . . . 43 GLY N . 27066 1 191 . 1 1 44 44 GLY H H 1 8.178 0.020 . 1 . . . . . 44 GLY H . 27066 1 192 . 1 1 44 44 GLY CA C 13 45.013 0.3 . 1 . . . . . 44 GLY CA . 27066 1 193 . 1 1 44 44 GLY N N 15 108.620 0.3 . 1 . . . . . 44 GLY N . 27066 1 194 . 1 1 45 45 ASN H H 1 8.243 0.020 . 1 . . . . . 45 ASN H . 27066 1 195 . 1 1 45 45 ASN CA C 13 53.113 0.3 . 1 . . . . . 45 ASN CA . 27066 1 196 . 1 1 45 45 ASN CB C 13 38.462 0.3 . 1 . . . . . 45 ASN CB . 27066 1 197 . 1 1 45 45 ASN N N 15 118.213 0.3 . 1 . . . . . 45 ASN N . 27066 1 198 . 1 1 46 46 GLU H H 1 8.405 0.020 . 1 . . . . . 46 GLU H . 27066 1 199 . 1 1 46 46 GLU CA C 13 56.670 0.3 . 1 . . . . . 46 GLU CA . 27066 1 200 . 1 1 46 46 GLU CB C 13 29.571 0.3 . 1 . . . . . 46 GLU CB . 27066 1 201 . 1 1 46 46 GLU CG C 13 36.168 0.3 . 1 . . . . . 46 GLU CG . 27066 1 202 . 1 1 46 46 GLU N N 15 120.939 0.3 . 1 . . . . . 46 GLU N . 27066 1 203 . 1 1 47 47 THR H H 1 8.103 0.020 . 1 . . . . . 47 THR H . 27066 1 204 . 1 1 47 47 THR CA C 13 61.908 0.3 . 1 . . . . . 47 THR CA . 27066 1 205 . 1 1 47 47 THR CB C 13 69.642 0.3 . 1 . . . . . 47 THR CB . 27066 1 206 . 1 1 47 47 THR CG2 C 13 21.447 0.3 . 1 . . . . . 47 THR CG2 . 27066 1 207 . 1 1 47 47 THR N N 15 115.604 0.3 . 1 . . . . . 47 THR N . 27066 1 208 . 1 1 48 48 VAL H H 1 8.069 0.020 . 1 . . . . . 48 VAL H . 27066 1 209 . 1 1 48 48 VAL CA C 13 62.649 0.3 . 1 . . . . . 48 VAL CA . 27066 1 210 . 1 1 48 48 VAL CB C 13 32.217 0.3 . 1 . . . . . 48 VAL CB . 27066 1 211 . 1 1 48 48 VAL CG1 C 13 20.708 0.3 . 1 . . . . . 48 VAL CG1 . 27066 1 212 . 1 1 48 48 VAL CG2 C 13 20.708 0.3 . 1 . . . . . 48 VAL CG2 . 27066 1 213 . 1 1 48 48 VAL N N 15 123.179 0.3 . 1 . . . . . 48 VAL N . 27066 1 214 . 1 1 49 49 GLN H H 1 8.313 0.020 . 1 . . . . . 49 GLN H . 27066 1 215 . 1 1 49 49 GLN CA C 13 55.804 0.3 . 1 . . . . . 49 GLN CA . 27066 1 216 . 1 1 49 49 GLN CB C 13 29.036 0.3 . 1 . . . . . 49 GLN CB . 27066 1 217 . 1 1 49 49 GLN CG C 13 33.180 0.3 . 1 . . . . . 49 GLN CG . 27066 1 218 . 1 1 49 49 GLN N N 15 123.692 0.3 . 1 . . . . . 49 GLN N . 27066 1 219 . 1 1 50 50 GLU H H 1 8.309 0.020 . 1 . . . . . 50 GLU H . 27066 1 220 . 1 1 50 50 GLU CA C 13 56.964 0.3 . 1 . . . . . 50 GLU CA . 27066 1 221 . 1 1 50 50 GLU CB C 13 29.753 0.3 . 1 . . . . . 50 GLU CB . 27066 1 222 . 1 1 50 50 GLU CG C 13 36.229 0.3 . 1 . . . . . 50 GLU CG . 27066 1 223 . 1 1 50 50 GLU N N 15 122.592 0.3 . 1 . . . . . 50 GLU N . 27066 1 224 . 1 1 51 51 SER H H 1 8.269 0.020 . 1 . . . . . 51 SER H . 27066 1 225 . 1 1 51 51 SER CA C 13 58.863 0.3 . 1 . . . . . 51 SER CA . 27066 1 226 . 1 1 51 51 SER CB C 13 63.308 0.3 . 1 . . . . . 51 SER CB . 27066 1 227 . 1 1 51 51 SER N N 15 116.760 0.3 . 1 . . . . . 51 SER N . 27066 1 228 . 1 1 52 52 ASN H H 1 8.346 0.020 . 1 . . . . . 52 ASN H . 27066 1 229 . 1 1 52 52 ASN CA C 13 53.952 0.3 . 1 . . . . . 52 ASN CA . 27066 1 230 . 1 1 52 52 ASN CB C 13 38.340 0.3 . 1 . . . . . 52 ASN CB . 27066 1 231 . 1 1 52 52 ASN N N 15 120.907 0.3 . 1 . . . . . 52 ASN N . 27066 1 232 . 1 1 53 53 ALA H H 1 7.959 0.020 . 1 . . . . . 53 ALA H . 27066 1 233 . 1 1 53 53 ALA CA C 13 53.515 0.3 . 1 . . . . . 53 ALA CA . 27066 1 234 . 1 1 53 53 ALA CB C 13 18.461 0.3 . 1 . . . . . 53 ALA CB . 27066 1 235 . 1 1 53 53 ALA N N 15 123.191 0.3 . 1 . . . . . 53 ALA N . 27066 1 236 . 1 1 54 54 LEU H H 1 7.833 0.020 . 1 . . . . . 54 LEU H . 27066 1 237 . 1 1 54 54 LEU CA C 13 55.392 0.3 . 1 . . . . . 54 LEU CA . 27066 1 238 . 1 1 54 54 LEU CB C 13 41.446 0.3 . 1 . . . . . 54 LEU CB . 27066 1 239 . 1 1 54 54 LEU CG C 13 26.708 0.3 . 1 . . . . . 54 LEU CG . 27066 1 240 . 1 1 54 54 LEU CD1 C 13 24.222 0.3 . 1 . . . . . 54 LEU CD1 . 27066 1 241 . 1 1 54 54 LEU CD2 C 13 23.555 0.3 . 1 . . . . . 54 LEU CD2 . 27066 1 242 . 1 1 54 54 LEU N N 15 119.285 0.3 . 1 . . . . . 54 LEU N . 27066 1 243 . 1 1 55 55 ARG H H 1 7.847 0.020 . 1 . . . . . 55 ARG H . 27066 1 244 . 1 1 55 55 ARG CA C 13 56.305 0.3 . 1 . . . . . 55 ARG CA . 27066 1 245 . 1 1 55 55 ARG CB C 13 30.058 0.3 . 1 . . . . . 55 ARG CB . 27066 1 246 . 1 1 55 55 ARG CG C 13 26.708 0.3 . 1 . . . . . 55 ARG CG . 27066 1 247 . 1 1 55 55 ARG CD C 13 43.263 0.3 . 1 . . . . . 55 ARG CD . 27066 1 248 . 1 1 55 55 ARG N N 15 120.091 0.3 . 1 . . . . . 55 ARG N . 27066 1 249 . 1 1 56 56 ASN H H 1 8.068 0.020 . 1 . . . . . 56 ASN H . 27066 1 250 . 1 1 56 56 ASN CA C 13 53.016 0.3 . 1 . . . . . 56 ASN CA . 27066 1 251 . 1 1 56 56 ASN CB C 13 38.462 0.3 . 1 . . . . . 56 ASN CB . 27066 1 252 . 1 1 56 56 ASN N N 15 118.337 0.3 . 1 . . . . . 56 ASN N . 27066 1 253 . 1 1 57 57 LYS H H 1 7.962 0.020 . 1 . . . . . 57 LYS H . 27066 1 254 . 1 1 57 57 LYS CA C 13 56.584 0.3 . 1 . . . . . 57 LYS CA . 27066 1 255 . 1 1 57 57 LYS CB C 13 32.407 0.3 . 1 . . . . . 57 LYS CB . 27066 1 256 . 1 1 57 57 LYS CG C 13 24.691 0.3 . 1 . . . . . 57 LYS CG . 27066 1 257 . 1 1 57 57 LYS CD C 13 29.274 0.3 . 1 . . . . . 57 LYS CD . 27066 1 258 . 1 1 57 57 LYS N N 15 121.472 0.3 . 1 . . . . . 57 LYS N . 27066 1 259 . 1 1 58 58 LYS H H 1 8.129 0.020 . 1 . . . . . 58 LYS H . 27066 1 260 . 1 1 58 58 LYS CA C 13 56.337 0.3 . 1 . . . . . 58 LYS CA . 27066 1 261 . 1 1 58 58 LYS CB C 13 32.407 0.3 . 1 . . . . . 58 LYS CB . 27066 1 262 . 1 1 58 58 LYS N N 15 121.579 0.3 . 1 . . . . . 58 LYS N . 27066 1 263 . 1 1 59 59 ASN H H 1 8.220 0.020 . 1 . . . . . 59 ASN H . 27066 1 264 . 1 1 59 59 ASN CA C 13 52.983 0.3 . 1 . . . . . 59 ASN CA . 27066 1 265 . 1 1 59 59 ASN CB C 13 38.448 0.3 . 1 . . . . . 59 ASN CB . 27066 1 266 . 1 1 59 59 ASN N N 15 119.166 0.3 . 1 . . . . . 59 ASN N . 27066 1 267 . 1 1 60 60 SEP H H 1 8.928 0.020 . 1 . . . . . 60 SEP H . 27066 1 268 . 1 1 60 60 SEP CA C 13 58.045 0.3 . 1 . . . . . 60 SEP CA . 27066 1 269 . 1 1 60 60 SEP CB C 13 65.597 0.3 . 1 . . . . . 60 SEP CB . 27066 1 270 . 1 1 60 60 SEP N N 15 118.906 0.3 . 1 . . . . . 60 SEP N . 27066 1 271 . 1 1 61 61 ARG H H 1 8.117 0.020 . 1 . . . . . 61 ARG H . 27066 1 272 . 1 1 61 61 ARG CA C 13 55.807 0.3 . 1 . . . . . 61 ARG CA . 27066 1 273 . 1 1 61 61 ARG CB C 13 30.423 0.3 . 1 . . . . . 61 ARG CB . 27066 1 274 . 1 1 61 61 ARG CG C 13 26.667 0.3 . 1 . . . . . 61 ARG CG . 27066 1 275 . 1 1 61 61 ARG CD C 13 42.876 0.3 . 1 . . . . . 61 ARG CD . 27066 1 276 . 1 1 61 61 ARG N N 15 122.667 0.3 . 1 . . . . . 61 ARG N . 27066 1 277 . 1 1 62 62 ARG H H 1 8.194 0.020 . 1 . . . . . 62 ARG H . 27066 1 278 . 1 1 62 62 ARG CA C 13 55.938 0.3 . 1 . . . . . 62 ARG CA . 27066 1 279 . 1 1 62 62 ARG CB C 13 30.545 0.3 . 1 . . . . . 62 ARG CB . 27066 1 280 . 1 1 62 62 ARG CG C 13 26.587 0.3 . 1 . . . . . 62 ARG CG . 27066 1 281 . 1 1 62 62 ARG CD C 13 42.839 0.3 . 1 . . . . . 62 ARG CD . 27066 1 282 . 1 1 62 62 ARG N N 15 123.526 0.3 . 1 . . . . . 62 ARG N . 27066 1 283 . 1 1 63 63 VAL H H 1 8.232 0.020 . 1 . . . . . 63 VAL H . 27066 1 284 . 1 1 63 63 VAL CA C 13 62.428 0.3 . 1 . . . . . 63 VAL CA . 27066 1 285 . 1 1 63 63 VAL CB C 13 32.433 0.3 . 1 . . . . . 63 VAL CB . 27066 1 286 . 1 1 63 63 VAL CG1 C 13 20.580 0.3 . 1 . . . . . 63 VAL CG1 . 27066 1 287 . 1 1 63 63 VAL CG2 C 13 20.580 0.3 . 1 . . . . . 63 VAL CG2 . 27066 1 288 . 1 1 63 63 VAL N N 15 123.147 0.3 . 1 . . . . . 63 VAL N . 27066 1 289 . 1 1 64 64 SEP H H 1 8.626 0.020 . 1 . . . . . 64 SEP H . 27066 1 290 . 1 1 64 64 SEP CA C 13 57.444 0.3 . 1 . . . . . 64 SEP CA . 27066 1 291 . 1 1 64 64 SEP CB C 13 65.440 0.3 . 1 . . . . . 64 SEP CB . 27066 1 292 . 1 1 64 64 SEP N N 15 120.179 0.3 . 1 . . . . . 64 SEP N . 27066 1 293 . 1 1 65 65 PHE H H 1 8.207 0.020 . 1 . . . . . 65 PHE H . 27066 1 294 . 1 1 65 65 PHE CA C 13 58.318 0.3 . 1 . . . . . 65 PHE CA . 27066 1 295 . 1 1 65 65 PHE CB C 13 39.314 0.3 . 1 . . . . . 65 PHE CB . 27066 1 296 . 1 1 65 65 PHE N N 15 123.036 0.3 . 1 . . . . . 65 PHE N . 27066 1 297 . 1 1 66 66 ALA H H 1 8.042 0.020 . 1 . . . . . 66 ALA H . 27066 1 298 . 1 1 66 66 ALA CA C 13 52.565 0.3 . 1 . . . . . 66 ALA CA . 27066 1 299 . 1 1 66 66 ALA CB C 13 18.766 0.3 . 1 . . . . . 66 ALA CB . 27066 1 300 . 1 1 66 66 ALA N N 15 125.025 0.3 . 1 . . . . . 66 ALA N . 27066 1 301 . 1 1 67 67 ASP H H 1 7.971 0.020 . 1 . . . . . 67 ASP H . 27066 1 302 . 1 1 67 67 ASP CA C 13 54.113 0.3 . 1 . . . . . 67 ASP CA . 27066 1 303 . 1 1 67 67 ASP CB C 13 40.776 0.3 . 1 . . . . . 67 ASP CB . 27066 1 304 . 1 1 67 67 ASP N N 15 119.199 0.3 . 1 . . . . . 67 ASP N . 27066 1 305 . 1 1 68 68 THR H H 1 7.825 0.020 . 1 . . . . . 68 THR H . 27066 1 306 . 1 1 68 68 THR CA C 13 62.181 0.3 . 1 . . . . . 68 THR CA . 27066 1 307 . 1 1 68 68 THR CB C 13 69.459 0.3 . 1 . . . . . 68 THR CB . 27066 1 308 . 1 1 68 68 THR CG2 C 13 21.517 0.3 . 1 . . . . . 68 THR CG2 . 27066 1 309 . 1 1 68 68 THR N N 15 113.949 0.3 . 1 . . . . . 68 THR N . 27066 1 310 . 1 1 69 69 ILE H H 1 7.880 0.020 . 1 . . . . . 69 ILE H . 27066 1 311 . 1 1 69 69 ILE CA C 13 61.212 0.3 . 1 . . . . . 69 ILE CA . 27066 1 312 . 1 1 69 69 ILE CB C 13 38.010 0.3 . 1 . . . . . 69 ILE CB . 27066 1 313 . 1 1 69 69 ILE CG1 C 13 27.302 0.3 . 1 . . . . . 69 ILE CG1 . 27066 1 314 . 1 1 69 69 ILE CG2 C 13 17.469 0.3 . 1 . . . . . 69 ILE CG2 . 27066 1 315 . 1 1 69 69 ILE CD1 C 13 12.521 0.3 . 1 . . . . . 69 ILE CD1 . 27066 1 316 . 1 1 69 69 ILE N N 15 123.115 0.3 . 1 . . . . . 69 ILE N . 27066 1 317 . 1 1 70 70 LYS H H 1 8.127 0.020 . 1 . . . . . 70 LYS H . 27066 1 318 . 1 1 70 70 LYS CA C 13 55.914 0.3 . 1 . . . . . 70 LYS CA . 27066 1 319 . 1 1 70 70 LYS CB C 13 32.590 0.3 . 1 . . . . . 70 LYS CB . 27066 1 320 . 1 1 70 70 LYS CG C 13 24.428 0.3 . 1 . . . . . 70 LYS CG . 27066 1 321 . 1 1 70 70 LYS CD C 13 28.851 0.3 . 1 . . . . . 70 LYS CD . 27066 1 322 . 1 1 70 70 LYS N N 15 125.662 0.3 . 1 . . . . . 70 LYS N . 27066 1 323 . 1 1 71 71 VAL H H 1 7.870 0.020 . 1 . . . . . 71 VAL H . 27066 1 324 . 1 1 71 71 VAL CA C 13 61.969 0.3 . 1 . . . . . 71 VAL CA . 27066 1 325 . 1 1 71 71 VAL CB C 13 32.372 0.3 . 1 . . . . . 71 VAL CB . 27066 1 326 . 1 1 71 71 VAL CG1 C 13 20.402 0.3 . 1 . . . . . 71 VAL CG1 . 27066 1 327 . 1 1 71 71 VAL CG2 C 13 20.402 0.3 . 1 . . . . . 71 VAL CG2 . 27066 1 328 . 1 1 71 71 VAL N N 15 121.376 0.3 . 1 . . . . . 71 VAL N . 27066 1 329 . 1 1 72 72 PHE H H 1 8.187 0.020 . 1 . . . . . 72 PHE H . 27066 1 330 . 1 1 72 72 PHE CA C 13 57.641 0.3 . 1 . . . . . 72 PHE CA . 27066 1 331 . 1 1 72 72 PHE CB C 13 39.410 0.3 . 1 . . . . . 72 PHE CB . 27066 1 332 . 1 1 72 72 PHE N N 15 123.957 0.3 . 1 . . . . . 72 PHE N . 27066 1 333 . 1 1 73 73 GLN H H 1 8.158 0.020 . 1 . . . . . 73 GLN H . 27066 1 334 . 1 1 73 73 GLN CA C 13 55.331 0.3 . 1 . . . . . 73 GLN CA . 27066 1 335 . 1 1 73 73 GLN CB C 13 29.266 0.3 . 1 . . . . . 73 GLN CB . 27066 1 336 . 1 1 73 73 GLN CG C 13 33.379 0.3 . 1 . . . . . 73 GLN CG . 27066 1 337 . 1 1 73 73 GLN N N 15 122.283 0.3 . 1 . . . . . 73 GLN N . 27066 1 338 . 1 1 74 74 THR H H 1 8.052 0.020 . 1 . . . . . 74 THR H . 27066 1 339 . 1 1 74 74 THR CA C 13 61.847 0.3 . 1 . . . . . 74 THR CA . 27066 1 340 . 1 1 74 74 THR CB C 13 69.459 0.3 . 1 . . . . . 74 THR CB . 27066 1 341 . 1 1 74 74 THR CG2 C 13 21.588 0.3 . 1 . . . . . 74 THR CG2 . 27066 1 342 . 1 1 74 74 THR N N 15 115.762 0.3 . 1 . . . . . 74 THR N . 27066 1 343 . 1 1 75 75 GLU H H 1 8.362 0.020 . 1 . . . . . 75 GLU H . 27066 1 344 . 1 1 75 75 GLU CA C 13 56.523 0.3 . 1 . . . . . 75 GLU CA . 27066 1 345 . 1 1 75 75 GLU CB C 13 29.789 0.3 . 1 . . . . . 75 GLU CB . 27066 1 346 . 1 1 75 75 GLU CG C 13 35.986 0.3 . 1 . . . . . 75 GLU CG . 27066 1 347 . 1 1 75 75 GLU N N 15 122.955 0.3 . 1 . . . . . 75 GLU N . 27066 1 348 . 1 1 76 76 SER H H 1 8.196 0.020 . 1 . . . . . 76 SER H . 27066 1 349 . 1 1 76 76 SER CA C 13 58.619 0.3 . 1 . . . . . 76 SER CA . 27066 1 350 . 1 1 76 76 SER CB C 13 63.247 0.3 . 1 . . . . . 76 SER CB . 27066 1 351 . 1 1 76 76 SER N N 15 116.460 0.3 . 1 . . . . . 76 SER N . 27066 1 352 . 1 1 78 78 MET H H 1 7.964 0.020 . 1 . . . . . 78 MET H . 27066 1 353 . 1 1 78 78 MET CA C 13 55.331 0.3 . 1 . . . . . 78 MET CA . 27066 1 354 . 1 1 78 78 MET CB C 13 32.311 0.3 . 1 . . . . . 78 MET CB . 27066 1 355 . 1 1 78 78 MET N N 15 120.500 0.3 . 1 . . . . . 78 MET N . 27066 1 356 . 1 1 79 79 LYS H H 1 8.098 0.020 . 1 . . . . . 79 LYS H . 27066 1 357 . 1 1 79 79 LYS CA C 13 56.157 0.3 . 1 . . . . . 79 LYS CA . 27066 1 358 . 1 1 79 79 LYS CB C 13 32.433 0.3 . 1 . . . . . 79 LYS CB . 27066 1 359 . 1 1 79 79 LYS CG C 13 24.404 0.3 . 1 . . . . . 79 LYS CG . 27066 1 360 . 1 1 79 79 LYS N N 15 122.731 0.3 . 1 . . . . . 79 LYS N . 27066 1 361 . 1 1 80 80 ILE H H 1 8.017 0.020 . 1 . . . . . 80 ILE H . 27066 1 362 . 1 1 80 80 ILE CA C 13 60.719 0.3 . 1 . . . . . 80 ILE CA . 27066 1 363 . 1 1 80 80 ILE CB C 13 38.279 0.3 . 1 . . . . . 80 ILE CB . 27066 1 364 . 1 1 80 80 ILE CG1 C 13 27.115 0.3 . 1 . . . . . 80 ILE CG1 . 27066 1 365 . 1 1 80 80 ILE CG2 C 13 17.031 0.3 . 1 . . . . . 80 ILE CG2 . 27066 1 366 . 1 1 80 80 ILE CD1 C 13 12.146 0.3 . 1 . . . . . 80 ILE CD1 . 27066 1 367 . 1 1 80 80 ILE N N 15 123.238 0.3 . 1 . . . . . 80 ILE N . 27066 1 368 . 1 1 81 81 VAL H H 1 8.191 0.020 . 1 . . . . . 81 VAL H . 27066 1 369 . 1 1 81 81 VAL CA C 13 61.943 0.3 . 1 . . . . . 81 VAL CA . 27066 1 370 . 1 1 81 81 VAL CB C 13 32.407 0.3 . 1 . . . . . 81 VAL CB . 27066 1 371 . 1 1 81 81 VAL CG1 C 13 20.476 0.3 . 1 . . . . . 81 VAL CG1 . 27066 1 372 . 1 1 81 81 VAL CG2 C 13 20.914 0.3 . 1 . . . . . 81 VAL CG2 . 27066 1 373 . 1 1 81 81 VAL N N 15 126.369 0.3 . 1 . . . . . 81 VAL N . 27066 1 374 . 1 1 82 82 ARG H H 1 8.330 0.020 . 1 . . . . . 82 ARG H . 27066 1 375 . 1 1 82 82 ARG CA C 13 55.427 0.3 . 1 . . . . . 82 ARG CA . 27066 1 376 . 1 1 82 82 ARG CB C 13 30.519 0.3 . 1 . . . . . 82 ARG CB . 27066 1 377 . 1 1 82 82 ARG CG C 13 26.830 0.3 . 1 . . . . . 82 ARG CG . 27066 1 378 . 1 1 82 82 ARG CD C 13 43.021 0.3 . 1 . . . . . 82 ARG CD . 27066 1 379 . 1 1 82 82 ARG N N 15 126.380 0.3 . 1 . . . . . 82 ARG N . 27066 1 380 . 1 1 83 83 LYS H H 1 8.356 0.020 . 1 . . . . . 83 LYS H . 27066 1 381 . 1 1 83 83 LYS CA C 13 56.097 0.3 . 1 . . . . . 83 LYS CA . 27066 1 382 . 1 1 83 83 LYS CB C 13 32.894 0.3 . 1 . . . . . 83 LYS CB . 27066 1 383 . 1 1 83 83 LYS CG C 13 24.056 0.3 . 1 . . . . . 83 LYS CG . 27066 1 384 . 1 1 83 83 LYS CD C 13 28.851 0.3 . 1 . . . . . 83 LYS CD . 27066 1 385 . 1 1 83 83 LYS N N 15 124.437 0.3 . 1 . . . . . 83 LYS N . 27066 1 386 . 1 1 84 84 SER H H 1 7.859 0.020 . 1 . . . . . 84 SER H . 27066 1 387 . 1 1 84 84 SER CA C 13 59.846 0.3 . 1 . . . . . 84 SER CA . 27066 1 388 . 1 1 84 84 SER CB C 13 64.222 0.3 . 1 . . . . . 84 SER CB . 27066 1 389 . 1 1 84 84 SER N N 15 123.064 0.3 . 1 . . . . . 84 SER N . 27066 1 stop_ save_