data_27057 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27057 _Entry.Title ; Chemical Shift Assignment of the PP1 and Microtubule binding domain of human KNL-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-03-24 _Entry.Accession_date 2017-03-24 _Entry.Last_release_date 2017-03-27 _Entry.Original_release_date 2017-03-27 _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 . _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 . . . . 27057 2 Rebecca Page . . . . 27057 3 Wolfgang Peti . . . . 27057 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' . 27057 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27057 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 232 27057 '15N chemical shifts' 78 27057 '1H chemical shifts' 78 27057 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 . 27057 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27057 _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. . . . 27057 1 2 Mathieu Bollen M. . . . 27057 1 3 Wolfgang Peti W. . . . 27057 1 4 Rebecca Page R. . . . 27057 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID KNL-1 27057 1 Kinetochore 27057 1 'Microtubule binding' 27057 1 'Protein phosphatase1' 27057 1 'cell cycle' 27057 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27057 _Assembly.ID 1 _Assembly.Name 'N terminal 80 residues of of KNL-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 $KNL-1 A . yes 'intrinsically disordered' no no . . . 27057 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_KNL-1 _Entity.Sf_category entity _Entity.Sf_framecode KNL-1 _Entity.Entry_ID 27057 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name KNL-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 RPVRRRHSSILKPPRSPLQD LRGGNETVQESNALRNKKNS RRVSFADTIKVFQTESHMKI VRKS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 1,G _Entity.Polymer_author_seq_details 'Residues 1-4 represents a cloning site artifact. Residues 5-84 represents the N-terminal 80 residues in KNL-1' _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 '80 N- terminal residues of KNL-1' _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' 27057 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 . 27057 1 2 . ALA . 27057 1 3 . MET . 27057 1 4 . GLY . 27057 1 5 . MET . 27057 1 6 . ASP . 27057 1 7 . GLY . 27057 1 8 . VAL . 27057 1 9 . SER . 27057 1 10 . SER . 27057 1 11 . GLU . 27057 1 12 . ALA . 27057 1 13 . ASN . 27057 1 14 . GLU . 27057 1 15 . GLU . 27057 1 16 . ASN . 27057 1 17 . ASP . 27057 1 18 . ASN . 27057 1 19 . ILE . 27057 1 20 . GLU . 27057 1 21 . ARG . 27057 1 22 . PRO . 27057 1 23 . VAL . 27057 1 24 . ARG . 27057 1 25 . ARG . 27057 1 26 . ARG . 27057 1 27 . HIS . 27057 1 28 . SER . 27057 1 29 . SER . 27057 1 30 . ILE . 27057 1 31 . LEU . 27057 1 32 . LYS . 27057 1 33 . PRO . 27057 1 34 . PRO . 27057 1 35 . ARG . 27057 1 36 . SER . 27057 1 37 . PRO . 27057 1 38 . LEU . 27057 1 39 . GLN . 27057 1 40 . ASP . 27057 1 41 . LEU . 27057 1 42 . ARG . 27057 1 43 . GLY . 27057 1 44 . GLY . 27057 1 45 . ASN . 27057 1 46 . GLU . 27057 1 47 . THR . 27057 1 48 . VAL . 27057 1 49 . GLN . 27057 1 50 . GLU . 27057 1 51 . SER . 27057 1 52 . ASN . 27057 1 53 . ALA . 27057 1 54 . LEU . 27057 1 55 . ARG . 27057 1 56 . ASN . 27057 1 57 . LYS . 27057 1 58 . LYS . 27057 1 59 . ASN . 27057 1 60 . SER . 27057 1 61 . ARG . 27057 1 62 . ARG . 27057 1 63 . VAL . 27057 1 64 . SER . 27057 1 65 . PHE . 27057 1 66 . ALA . 27057 1 67 . ASP . 27057 1 68 . THR . 27057 1 69 . ILE . 27057 1 70 . LYS . 27057 1 71 . VAL . 27057 1 72 . PHE . 27057 1 73 . GLN . 27057 1 74 . THR . 27057 1 75 . GLU . 27057 1 76 . SER . 27057 1 77 . HIS . 27057 1 78 . MET . 27057 1 79 . LYS . 27057 1 80 . ILE . 27057 1 81 . VAL . 27057 1 82 . ARG . 27057 1 83 . LYS . 27057 1 84 . SER . 27057 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 27057 1 . ALA 2 2 27057 1 . MET 3 3 27057 1 . GLY 4 4 27057 1 . MET 5 5 27057 1 . ASP 6 6 27057 1 . GLY 7 7 27057 1 . VAL 8 8 27057 1 . SER 9 9 27057 1 . SER 10 10 27057 1 . GLU 11 11 27057 1 . ALA 12 12 27057 1 . ASN 13 13 27057 1 . GLU 14 14 27057 1 . GLU 15 15 27057 1 . ASN 16 16 27057 1 . ASP 17 17 27057 1 . ASN 18 18 27057 1 . ILE 19 19 27057 1 . GLU 20 20 27057 1 . ARG 21 21 27057 1 . PRO 22 22 27057 1 . VAL 23 23 27057 1 . ARG 24 24 27057 1 . ARG 25 25 27057 1 . ARG 26 26 27057 1 . HIS 27 27 27057 1 . SER 28 28 27057 1 . SER 29 29 27057 1 . ILE 30 30 27057 1 . LEU 31 31 27057 1 . LYS 32 32 27057 1 . PRO 33 33 27057 1 . PRO 34 34 27057 1 . ARG 35 35 27057 1 . SER 36 36 27057 1 . PRO 37 37 27057 1 . LEU 38 38 27057 1 . GLN 39 39 27057 1 . ASP 40 40 27057 1 . LEU 41 41 27057 1 . ARG 42 42 27057 1 . GLY 43 43 27057 1 . GLY 44 44 27057 1 . ASN 45 45 27057 1 . GLU 46 46 27057 1 . THR 47 47 27057 1 . VAL 48 48 27057 1 . GLN 49 49 27057 1 . GLU 50 50 27057 1 . SER 51 51 27057 1 . ASN 52 52 27057 1 . ALA 53 53 27057 1 . LEU 54 54 27057 1 . ARG 55 55 27057 1 . ASN 56 56 27057 1 . LYS 57 57 27057 1 . LYS 58 58 27057 1 . ASN 59 59 27057 1 . SER 60 60 27057 1 . ARG 61 61 27057 1 . ARG 62 62 27057 1 . VAL 63 63 27057 1 . SER 64 64 27057 1 . PHE 65 65 27057 1 . ALA 66 66 27057 1 . ASP 67 67 27057 1 . THR 68 68 27057 1 . ILE 69 69 27057 1 . LYS 70 70 27057 1 . VAL 71 71 27057 1 . PHE 72 72 27057 1 . GLN 73 73 27057 1 . THR 74 74 27057 1 . GLU 75 75 27057 1 . SER 76 76 27057 1 . HIS 77 77 27057 1 . MET 78 78 27057 1 . LYS 79 79 27057 1 . ILE 80 80 27057 1 . VAL 81 81 27057 1 . ARG 82 82 27057 1 . LYS 83 83 27057 1 . SER 84 84 27057 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 27057 _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 $KNL-1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27057 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 27057 _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 $KNL-1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pETM30-MBP . . . 27057 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27057 _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 KNL-1 '[U-98% 13C; U-98% 15N]' . . 1 $KNL-1 . . 0.6 . . mM . . . . 27057 1 2 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 27057 1 3 'Sodium cloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27057 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 27057 _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 27057 1 pressure 1 . atm 27057 1 temperature 283 . K 27057 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 27057 _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' . . 27057 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27057 1 stop_ save_ save_Topspin_3.1 _Software.Sf_category software _Software.Sf_framecode Topspin_3.1 _Software.Entry_ID 27057 _Software.ID 2 _Software.Type . _Software.Name Topspin_3.1 _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27057 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27057 2 processing 27057 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 27057 _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 27057 _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 27057 _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 . . . 27057 1 2 spectrometer_2 Bruker Avance . 500 . . . 27057 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 27057 _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 . . . . . . . . . . . . . . . . 27057 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27057 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27057 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27057 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27057 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27057 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 27057 _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' . . . . 27057 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 'separate tube (no insert) similar to the experimental sample tube' . . . . 27057 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' . . . . 27057 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 27057 _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' . . . 27057 1 2 '3D HNCA' . . . 27057 1 3 '3D HN(CO)CA' . . . 27057 1 4 '3D CBCA(CO)NH' . . . 27057 1 5 '3D HNCACB' . . . 27057 1 6 '3D C(CO)NH' . . . 27057 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 . . 27057 1 2 $Topspin_3.1 . . 27057 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 8.464 0.020 . 1 . . . . . 2 ALA H . 27057 1 2 . 1 1 2 2 ALA CA C 13 52.473 0.3 . 1 . . . . . 2 ALA CA . 27057 1 3 . 1 1 2 2 ALA CB C 13 19.214 0.3 . 1 . . . . . 2 ALA CB . 27057 1 4 . 1 1 2 2 ALA N N 15 123.484 0.3 . 1 . . . . . 2 ALA N . 27057 1 5 . 1 1 3 3 MET H H 1 8.416 0.020 . 1 . . . . . 3 MET H . 27057 1 6 . 1 1 3 3 MET CA C 13 55.285 0.3 . 1 . . . . . 3 MET CA . 27057 1 7 . 1 1 3 3 MET CB C 13 32.481 0.3 . 1 . . . . . 3 MET CB . 27057 1 8 . 1 1 3 3 MET N N 15 119.724 0.3 . 1 . . . . . 3 MET N . 27057 1 9 . 1 1 4 4 GLY H H 1 8.279 0.020 . 1 . . . . . 4 GLY H . 27057 1 10 . 1 1 4 4 GLY CA C 13 45.075 0.3 . 1 . . . . . 4 GLY CA . 27057 1 11 . 1 1 4 4 GLY N N 15 110.248 0.3 . 1 . . . . . 4 GLY N . 27057 1 12 . 1 1 5 5 MET H H 1 8.160 0.020 . 1 . . . . . 5 MET H . 27057 1 13 . 1 1 5 5 MET CA C 13 55.407 0.3 . 1 . . . . . 5 MET CA . 27057 1 14 . 1 1 5 5 MET CB C 13 32.481 0.3 . 1 . . . . . 5 MET CB . 27057 1 15 . 1 1 5 5 MET CG C 13 35.907 0.3 . 1 . . . . . 5 MET CG . 27057 1 16 . 1 1 5 5 MET N N 15 119.748 0.3 . 1 . . . . . 5 MET N . 27057 1 17 . 1 1 6 6 ASP H H 1 8.266 0.020 . 1 . . . . . 6 ASP H . 27057 1 18 . 1 1 6 6 ASP CA C 13 54.246 0.3 . 1 . . . . . 6 ASP CA . 27057 1 19 . 1 1 6 6 ASP CB C 13 40.795 0.3 . 1 . . . . . 6 ASP CB . 27057 1 20 . 1 1 6 6 ASP N N 15 120.515 0.3 . 1 . . . . . 6 ASP N . 27057 1 21 . 1 1 7 7 GLY H H 1 8.122 0.020 . 1 . . . . . 7 GLY H . 27057 1 22 . 1 1 7 7 GLY CA C 13 45.197 0.3 . 1 . . . . . 7 GLY CA . 27057 1 23 . 1 1 7 7 GLY N N 15 108.792 0.3 . 1 . . . . . 7 GLY N . 27057 1 24 . 1 1 8 8 VAL H H 1 7.751 0.020 . 1 . . . . . 8 VAL H . 27057 1 25 . 1 1 8 8 VAL CA C 13 62.010 0.3 . 1 . . . . . 8 VAL CA . 27057 1 26 . 1 1 8 8 VAL CB C 13 32.664 0.3 . 1 . . . . . 8 VAL CB . 27057 1 27 . 1 1 8 8 VAL CG1 C 13 20.214 0.3 . 1 . . . . . 8 VAL CG1 . 27057 1 28 . 1 1 8 8 VAL CG2 C 13 20.214 0.3 . 1 . . . . . 8 VAL CG2 . 27057 1 29 . 1 1 8 8 VAL N N 15 119.249 0.3 . 1 . . . . . 8 VAL N . 27057 1 30 . 1 1 9 9 SER H H 1 8.388 0.020 . 1 . . . . . 9 SER H . 27057 1 31 . 1 1 9 9 SER CA C 13 58.036 0.3 . 1 . . . . . 9 SER CA . 27057 1 32 . 1 1 9 9 SER CB C 13 63.600 0.3 . 1 . . . . . 9 SER CB . 27057 1 33 . 1 1 9 9 SER N N 15 120.092 0.3 . 1 . . . . . 9 SER N . 27057 1 34 . 1 1 10 10 SER H H 1 8.305 0.020 . 1 . . . . . 10 SER H . 27057 1 35 . 1 1 10 10 SER CA C 13 58.364 0.3 . 1 . . . . . 10 SER CA . 27057 1 36 . 1 1 10 10 SER CB C 13 63.622 0.3 . 1 . . . . . 10 SER CB . 27057 1 37 . 1 1 10 10 SER N N 15 118.432 0.3 . 1 . . . . . 10 SER N . 27057 1 38 . 1 1 11 11 GLU H H 1 8.267 0.020 . 1 . . . . . 11 GLU H . 27057 1 39 . 1 1 11 11 GLU CA C 13 56.521 0.3 . 1 . . . . . 11 GLU CA . 27057 1 40 . 1 1 11 11 GLU CB C 13 30.025 0.3 . 1 . . . . . 11 GLU CB . 27057 1 41 . 1 1 11 11 GLU CG C 13 35.780 0.3 . 1 . . . . . 11 GLU CG . 27057 1 42 . 1 1 11 11 GLU N N 15 122.470 0.3 . 1 . . . . . 11 GLU N . 27057 1 43 . 1 1 12 12 ALA H H 1 8.105 0.020 . 1 . . . . . 12 ALA H . 27057 1 44 . 1 1 12 12 ALA CA C 13 52.473 0.3 . 1 . . . . . 12 ALA CA . 27057 1 45 . 1 1 12 12 ALA CB C 13 19.030 0.3 . 1 . . . . . 12 ALA CB . 27057 1 46 . 1 1 12 12 ALA N N 15 124.437 0.3 . 1 . . . . . 12 ALA N . 27057 1 47 . 1 1 13 13 ASN H H 1 8.201 0.020 . 1 . . . . . 13 ASN H . 27057 1 48 . 1 1 13 13 ASN CA C 13 53.045 0.3 . 1 . . . . . 13 ASN CA . 27057 1 49 . 1 1 13 13 ASN CB C 13 38.800 0.3 . 1 . . . . . 13 ASN CB . 27057 1 50 . 1 1 13 13 ASN N N 15 118.054 0.3 . 1 . . . . . 13 ASN N . 27057 1 51 . 1 1 14 14 GLU H H 1 8.277 0.020 . 1 . . . . . 14 GLU H . 27057 1 52 . 1 1 14 14 GLU CA C 13 56.691 0.3 . 1 . . . . . 14 GLU CA . 27057 1 53 . 1 1 14 14 GLU CB C 13 29.852 0.3 . 1 . . . . . 14 GLU CB . 27057 1 54 . 1 1 14 14 GLU CG C 13 35.787 0.3 . 1 . . . . . 14 GLU CG . 27057 1 55 . 1 1 14 14 GLU N N 15 121.251 0.3 . 1 . . . . . 14 GLU N . 27057 1 56 . 1 1 15 15 GLU H H 1 8.261 0.020 . 1 . . . . . 15 GLU H . 27057 1 57 . 1 1 15 15 GLU CA C 13 56.691 0.3 . 1 . . . . . 15 GLU CA . 27057 1 58 . 1 1 15 15 GLU CB C 13 29.913 0.3 . 1 . . . . . 15 GLU CB . 27057 1 59 . 1 1 15 15 GLU CG C 13 35.791 0.3 . 1 . . . . . 15 GLU CG . 27057 1 60 . 1 1 15 15 GLU N N 15 121.081 0.3 . 1 . . . . . 15 GLU N . 27057 1 61 . 1 1 16 16 ASN H H 1 8.180 0.020 . 1 . . . . . 16 ASN H . 27057 1 62 . 1 1 16 16 ASN CA C 13 53.228 0.3 . 1 . . . . . 16 ASN CA . 27057 1 63 . 1 1 16 16 ASN CB C 13 38.778 0.3 . 1 . . . . . 16 ASN CB . 27057 1 64 . 1 1 16 16 ASN N N 15 118.992 0.3 . 1 . . . . . 16 ASN N . 27057 1 65 . 1 1 17 17 ASP H H 1 8.142 0.020 . 1 . . . . . 17 ASP H . 27057 1 66 . 1 1 17 17 ASP CA C 13 54.429 0.3 . 1 . . . . . 17 ASP CA . 27057 1 67 . 1 1 17 17 ASP CB C 13 40.734 0.3 . 1 . . . . . 17 ASP CB . 27057 1 68 . 1 1 17 17 ASP N N 15 120.515 0.3 . 1 . . . . . 17 ASP N . 27057 1 69 . 1 1 18 18 ASN H H 1 8.151 0.020 . 1 . . . . . 18 ASN H . 27057 1 70 . 1 1 18 18 ASN CA C 13 53.289 0.3 . 1 . . . . . 18 ASN CA . 27057 1 71 . 1 1 18 18 ASN CB C 13 38.555 0.3 . 1 . . . . . 18 ASN CB . 27057 1 72 . 1 1 18 18 ASN N N 15 118.020 0.3 . 1 . . . . . 18 ASN N . 27057 1 73 . 1 1 19 19 ILE H H 1 7.727 0.020 . 1 . . . . . 19 ILE H . 27057 1 74 . 1 1 19 19 ILE CA C 13 61.338 0.3 . 1 . . . . . 19 ILE CA . 27057 1 75 . 1 1 19 19 ILE CB C 13 38.533 0.3 . 1 . . . . . 19 ILE CB . 27057 1 76 . 1 1 19 19 ILE CG1 C 13 26.921 0.3 . 1 . . . . . 19 ILE CG1 . 27057 1 77 . 1 1 19 19 ILE CD1 C 13 17.113 0.3 . 1 . . . . . 19 ILE CD1 . 27057 1 78 . 1 1 19 19 ILE N N 15 120.273 0.3 . 1 . . . . . 19 ILE N . 27057 1 79 . 1 1 20 20 GLU H H 1 8.238 0.020 . 1 . . . . . 20 GLU H . 27057 1 80 . 1 1 20 20 GLU CA C 13 56.753 0.3 . 1 . . . . . 20 GLU CA . 27057 1 81 . 1 1 20 20 GLU CB C 13 29.607 0.3 . 1 . . . . . 20 GLU CB . 27057 1 82 . 1 1 20 20 GLU CG C 13 35.527 0.3 . 1 . . . . . 20 GLU CG . 27057 1 83 . 1 1 20 20 GLU N N 15 123.593 0.3 . 1 . . . . . 20 GLU N . 27057 1 84 . 1 1 21 21 ARG H H 1 8.040 0.020 . 1 . . . . . 21 ARG H . 27057 1 85 . 1 1 21 21 ARG CA C 13 53.856 0.3 . 1 . . . . . 21 ARG CA . 27057 1 86 . 1 1 21 21 ARG CB C 13 29.718 0.3 . 1 . . . . . 21 ARG CB . 27057 1 87 . 1 1 21 21 ARG N N 15 122.711 0.3 . 1 . . . . . 21 ARG N . 27057 1 88 . 1 1 22 22 PRO CA C 13 63.111 0.3 . 1 . . . . . 22 PRO CA . 27057 1 89 . 1 1 22 22 PRO CB C 13 31.869 0.3 . 1 . . . . . 22 PRO CB . 27057 1 90 . 1 1 22 22 PRO CG C 13 26.858 0.3 . 1 . . . . . 22 PRO CG . 27057 1 91 . 1 1 23 23 VAL H H 1 8.064 0.020 . 1 . . . . . 23 VAL H . 27057 1 92 . 1 1 23 23 VAL CA C 13 62.561 0.3 . 1 . . . . . 23 VAL CA . 27057 1 93 . 1 1 23 23 VAL CB C 13 32.297 0.3 . 1 . . . . . 23 VAL CB . 27057 1 94 . 1 1 23 23 VAL CG1 C 13 20.340 0.3 . 1 . . . . . 23 VAL CG1 . 27057 1 95 . 1 1 23 23 VAL CG2 C 13 20.340 0.3 . 1 . . . . . 23 VAL CG2 . 27057 1 96 . 1 1 23 23 VAL N N 15 120.297 0.3 . 1 . . . . . 23 VAL N . 27057 1 97 . 1 1 24 24 ARG H H 1 8.238 0.020 . 1 . . . . . 24 ARG H . 27057 1 98 . 1 1 24 24 ARG CA C 13 55.774 0.3 . 1 . . . . . 24 ARG CA . 27057 1 99 . 1 1 24 24 ARG CB C 13 30.524 0.3 . 1 . . . . . 24 ARG CB . 27057 1 100 . 1 1 24 24 ARG CG C 13 26.542 0.3 . 1 . . . . . 24 ARG CG . 27057 1 101 . 1 1 24 24 ARG CD C 13 42.867 0.3 . 1 . . . . . 24 ARG CD . 27057 1 102 . 1 1 24 24 ARG N N 15 124.679 0.3 . 1 . . . . . 24 ARG N . 27057 1 103 . 1 1 25 25 ARG H H 1 8.227 0.020 . 1 . . . . . 25 ARG H . 27057 1 104 . 1 1 25 25 ARG CA C 13 55.735 0.3 . 1 . . . . . 25 ARG CA . 27057 1 105 . 1 1 25 25 ARG CB C 13 30.546 0.3 . 1 . . . . . 25 ARG CB . 27057 1 106 . 1 1 25 25 ARG N N 15 122.699 0.3 . 1 . . . . . 25 ARG N . 27057 1 107 . 1 1 27 27 HIS H H 1 8.110 0.020 . 1 . . . . . 27 HIS H . 27057 1 108 . 1 1 27 27 HIS CA C 13 56.184 0.3 . 1 . . . . . 27 HIS CA . 27057 1 109 . 1 1 27 27 HIS CB C 13 30.392 0.3 . 1 . . . . . 27 HIS CB . 27057 1 110 . 1 1 27 27 HIS N N 15 122.636 0.3 . 1 . . . . . 27 HIS N . 27057 1 111 . 1 1 28 28 SER H H 1 8.128 0.020 . 1 . . . . . 28 SER H . 27057 1 112 . 1 1 28 28 SER CA C 13 58.203 0.3 . 1 . . . . . 28 SER CA . 27057 1 113 . 1 1 28 28 SER CB C 13 63.561 0.3 . 1 . . . . . 28 SER CB . 27057 1 114 . 1 1 28 28 SER N N 15 117.241 0.3 . 1 . . . . . 28 SER N . 27057 1 115 . 1 1 29 29 SER H H 1 8.338 0.020 . 1 . . . . . 29 SER H . 27057 1 116 . 1 1 29 29 SER CA C 13 58.342 0.3 . 1 . . . . . 29 SER CA . 27057 1 117 . 1 1 29 29 SER CB C 13 63.622 0.3 . 1 . . . . . 29 SER CB . 27057 1 118 . 1 1 29 29 SER N N 15 118.340 0.3 . 1 . . . . . 29 SER N . 27057 1 119 . 1 1 30 30 ILE H H 1 7.954 0.020 . 1 . . . . . 30 ILE H . 27057 1 120 . 1 1 30 30 ILE CA C 13 61.154 0.3 . 1 . . . . . 30 ILE CA . 27057 1 121 . 1 1 30 30 ILE CB C 13 38.350 0.3 . 1 . . . . . 30 ILE CB . 27057 1 122 . 1 1 30 30 ILE CG1 C 13 26.757 0.3 . 1 . . . . . 30 ILE CG1 . 27057 1 123 . 1 1 30 30 ILE CG2 C 13 17.050 0.3 . 1 . . . . . 30 ILE CG2 . 27057 1 124 . 1 1 30 30 ILE CD1 C 13 12.431 0.3 . 1 . . . . . 30 ILE CD1 . 27057 1 125 . 1 1 30 30 ILE N N 15 122.205 0.3 . 1 . . . . . 30 ILE N . 27057 1 126 . 1 1 31 31 LEU H H 1 8.073 0.020 . 1 . . . . . 31 LEU H . 27057 1 127 . 1 1 31 31 LEU CA C 13 54.796 0.3 . 1 . . . . . 31 LEU CA . 27057 1 128 . 1 1 31 31 LEU CB C 13 42.079 0.3 . 1 . . . . . 31 LEU CB . 27057 1 129 . 1 1 31 31 LEU CG C 13 26.697 0.3 . 1 . . . . . 31 LEU CG . 27057 1 130 . 1 1 31 31 LEU CD1 C 13 23.919 0.3 . 1 . . . . . 31 LEU CD1 . 27057 1 131 . 1 1 31 31 LEU CD2 C 13 23.919 0.3 . 1 . . . . . 31 LEU CD2 . 27057 1 132 . 1 1 31 31 LEU N N 15 126.381 0.3 . 1 . . . . . 31 LEU N . 27057 1 133 . 1 1 32 32 LYS H H 1 8.144 0.020 . 1 . . . . . 32 LYS H . 27057 1 134 . 1 1 32 32 LYS CA C 13 53.696 0.3 . 1 . . . . . 32 LYS CA . 27057 1 135 . 1 1 32 32 LYS CB C 13 32.175 0.3 . 1 . . . . . 32 LYS CB . 27057 1 136 . 1 1 32 32 LYS N N 15 123.979 0.3 . 1 . . . . . 32 LYS N . 27057 1 137 . 1 1 34 34 PRO CA C 13 62.744 0.3 . 1 . . . . . 34 PRO CA . 27057 1 138 . 1 1 34 34 PRO CB C 13 31.992 0.3 . 1 . . . . . 34 PRO CB . 27057 1 139 . 1 1 35 35 ARG H H 1 8.257 0.020 . 1 . . . . . 35 ARG H . 27057 1 140 . 1 1 35 35 ARG CA C 13 56.691 0.3 . 1 . . . . . 35 ARG CA . 27057 1 141 . 1 1 35 35 ARG CB C 13 29.913 0.3 . 1 . . . . . 35 ARG CB . 27057 1 142 . 1 1 35 35 ARG N N 15 120.949 0.3 . 1 . . . . . 35 ARG N . 27057 1 143 . 1 1 36 36 SER H H 1 8.297 0.020 . 1 . . . . . 36 SER H . 27057 1 144 . 1 1 36 36 SER CA C 13 56.102 0.3 . 1 . . . . . 36 SER CA . 27057 1 145 . 1 1 36 36 SER CB C 13 63.194 0.3 . 1 . . . . . 36 SER CB . 27057 1 146 . 1 1 36 36 SER N N 15 118.890 0.3 . 1 . . . . . 36 SER N . 27057 1 147 . 1 1 37 37 PRO CA C 13 63.294 0.3 . 1 . . . . . 37 PRO CA . 27057 1 148 . 1 1 37 37 PRO CB C 13 31.930 0.3 . 1 . . . . . 37 PRO CB . 27057 1 149 . 1 1 37 37 PRO CG C 13 27.048 0.3 . 1 . . . . . 37 PRO CG . 27057 1 150 . 1 1 38 38 LEU H H 1 8.013 0.020 . 1 . . . . . 38 LEU H . 27057 1 151 . 1 1 38 38 LEU CA C 13 55.346 0.3 . 1 . . . . . 38 LEU CA . 27057 1 152 . 1 1 38 38 LEU CB C 13 41.774 0.3 . 1 . . . . . 38 LEU CB . 27057 1 153 . 1 1 38 38 LEU CG C 13 26.887 0.3 . 1 . . . . . 38 LEU CG . 27057 1 154 . 1 1 38 38 LEU CD1 C 13 23.666 0.3 . 1 . . . . . 38 LEU CD1 . 27057 1 155 . 1 1 38 38 LEU CD2 C 13 24.108 0.3 . 1 . . . . . 38 LEU CD2 . 27057 1 156 . 1 1 38 38 LEU N N 15 120.732 0.3 . 1 . . . . . 38 LEU N . 27057 1 157 . 1 1 39 39 GLN H H 1 7.986 0.020 . 1 . . . . . 39 GLN H . 27057 1 158 . 1 1 39 39 GLN CA C 13 55.835 0.3 . 1 . . . . . 39 GLN CA . 27057 1 159 . 1 1 39 39 GLN CB C 13 29.424 0.3 . 1 . . . . . 39 GLN CB . 27057 1 160 . 1 1 39 39 GLN CG C 13 32.823 0.3 . 1 . . . . . 39 GLN CG . 27057 1 161 . 1 1 39 39 GLN N N 15 120.145 0.3 . 1 . . . . . 39 GLN N . 27057 1 162 . 1 1 40 40 ASP H H 1 8.122 0.020 . 1 . . . . . 40 ASP H . 27057 1 163 . 1 1 40 40 ASP CA C 13 54.185 0.3 . 1 . . . . . 40 ASP CA . 27057 1 164 . 1 1 40 40 ASP CB C 13 40.795 0.3 . 1 . . . . . 40 ASP CB . 27057 1 165 . 1 1 40 40 ASP N N 15 121.449 0.3 . 1 . . . . . 40 ASP N . 27057 1 166 . 1 1 41 41 LEU H H 1 8.062 0.020 . 1 . . . . . 41 LEU H . 27057 1 167 . 1 1 41 41 LEU CA C 13 55.204 0.3 . 1 . . . . . 41 LEU CA . 27057 1 168 . 1 1 41 41 LEU CB C 13 41.790 0.3 . 1 . . . . . 41 LEU CB . 27057 1 169 . 1 1 41 41 LEU CD1 C 13 24.298 0.3 . 1 . . . . . 41 LEU CD1 . 27057 1 170 . 1 1 41 41 LEU CD2 C 13 24.298 0.3 . 1 . . . . . 41 LEU CD2 . 27057 1 171 . 1 1 41 41 LEU N N 15 123.098 0.3 . 1 . . . . . 41 LEU N . 27057 1 172 . 1 1 42 42 ARG H H 1 8.161 0.020 . 1 . . . . . 42 ARG H . 27057 1 173 . 1 1 42 42 ARG CA C 13 56.325 0.3 . 1 . . . . . 42 ARG CA . 27057 1 174 . 1 1 42 42 ARG CB C 13 30.219 0.3 . 1 . . . . . 42 ARG CB . 27057 1 175 . 1 1 42 42 ARG CG C 13 26.445 0.3 . 1 . . . . . 42 ARG CG . 27057 1 176 . 1 1 42 42 ARG CD C 13 42.926 0.3 . 1 . . . . . 42 ARG CD . 27057 1 177 . 1 1 42 42 ARG N N 15 120.853 0.3 . 1 . . . . . 42 ARG N . 27057 1 178 . 1 1 43 43 GLY H H 1 8.221 0.020 . 1 . . . . . 43 GLY H . 27057 1 179 . 1 1 43 43 GLY CA C 13 45.202 0.3 . 1 . . . . . 43 GLY CA . 27057 1 180 . 1 1 43 43 GLY N N 15 109.256 0.3 . 1 . . . . . 43 GLY N . 27057 1 181 . 1 1 44 44 GLY H H 1 8.170 0.020 . 1 . . . . . 44 GLY H . 27057 1 182 . 1 1 44 44 GLY CA C 13 45.136 0.3 . 1 . . . . . 44 GLY CA . 27057 1 183 . 1 1 44 44 GLY N N 15 108.602 0.3 . 1 . . . . . 44 GLY N . 27057 1 184 . 1 1 45 45 ASN H H 1 8.237 0.020 . 1 . . . . . 45 ASN H . 27057 1 185 . 1 1 45 45 ASN CA C 13 53.106 0.3 . 1 . . . . . 45 ASN CA . 27057 1 186 . 1 1 45 45 ASN CB C 13 38.739 0.3 . 1 . . . . . 45 ASN CB . 27057 1 187 . 1 1 45 45 ASN N N 15 118.283 0.3 . 1 . . . . . 45 ASN N . 27057 1 188 . 1 1 46 46 GLU H H 1 8.403 0.020 . 1 . . . . . 46 GLU H . 27057 1 189 . 1 1 46 46 GLU CA C 13 56.875 0.3 . 1 . . . . . 46 GLU CA . 27057 1 190 . 1 1 46 46 GLU CB C 13 29.791 0.3 . 1 . . . . . 46 GLU CB . 27057 1 191 . 1 1 46 46 GLU CG C 13 35.917 0.3 . 1 . . . . . 46 GLU CG . 27057 1 192 . 1 1 46 46 GLU N N 15 120.961 0.3 . 1 . . . . . 46 GLU N . 27057 1 193 . 1 1 47 47 THR H H 1 8.097 0.020 . 1 . . . . . 47 THR H . 27057 1 194 . 1 1 47 47 THR CA C 13 62.093 0.3 . 1 . . . . . 47 THR CA . 27057 1 195 . 1 1 47 47 THR CB C 13 69.674 0.3 . 1 . . . . . 47 THR CB . 27057 1 196 . 1 1 47 47 THR CG2 C 13 21.140 0.3 . 1 . . . . . 47 THR CG2 . 27057 1 197 . 1 1 47 47 THR N N 15 115.567 0.3 . 1 . . . . . 47 THR N . 27057 1 198 . 1 1 48 48 VAL H H 1 8.057 0.020 . 1 . . . . . 48 VAL H . 27057 1 199 . 1 1 48 48 VAL CA C 13 62.923 0.3 . 1 . . . . . 48 VAL CA . 27057 1 200 . 1 1 48 48 VAL CB C 13 32.292 0.3 . 1 . . . . . 48 VAL CB . 27057 1 201 . 1 1 48 48 VAL CG2 C 13 20.642 0.3 . 1 . . . . . 48 VAL CG2 . 27057 1 202 . 1 1 48 48 VAL N N 15 123.039 0.3 . 1 . . . . . 48 VAL N . 27057 1 203 . 1 1 49 49 GLN H H 1 8.297 0.020 . 1 . . . . . 49 GLN H . 27057 1 204 . 1 1 49 49 GLN CA C 13 56.202 0.3 . 1 . . . . . 49 GLN CA . 27057 1 205 . 1 1 49 49 GLN CB C 13 29.057 0.3 . 1 . . . . . 49 GLN CB . 27057 1 206 . 1 1 49 49 GLN CG C 13 33.249 0.3 . 1 . . . . . 49 GLN CG . 27057 1 207 . 1 1 49 49 GLN N N 15 123.653 0.3 . 1 . . . . . 49 GLN N . 27057 1 208 . 1 1 50 50 GLU H H 1 8.288 0.020 . 1 . . . . . 50 GLU H . 27057 1 209 . 1 1 50 50 GLU CA C 13 57.058 0.3 . 1 . . . . . 50 GLU CA . 27057 1 210 . 1 1 50 50 GLU CB C 13 30.068 0.3 . 1 . . . . . 50 GLU CB . 27057 1 211 . 1 1 50 50 GLU CG C 13 36.272 0.3 . 1 . . . . . 50 GLU CG . 27057 1 212 . 1 1 50 50 GLU N N 15 122.579 0.3 . 1 . . . . . 50 GLU N . 27057 1 213 . 1 1 51 51 SER H H 1 8.255 0.020 . 1 . . . . . 51 SER H . 27057 1 214 . 1 1 51 51 SER CA C 13 59.036 0.3 . 1 . . . . . 51 SER CA . 27057 1 215 . 1 1 51 51 SER CB C 13 63.255 0.3 . 1 . . . . . 51 SER CB . 27057 1 216 . 1 1 51 51 SER N N 15 116.764 0.3 . 1 . . . . . 51 SER N . 27057 1 217 . 1 1 52 52 ASN H H 1 8.355 0.020 . 1 . . . . . 52 ASN H . 27057 1 218 . 1 1 52 52 ASN CA C 13 54.062 0.3 . 1 . . . . . 52 ASN CA . 27057 1 219 . 1 1 52 52 ASN CB C 13 38.228 0.3 . 1 . . . . . 52 ASN CB . 27057 1 220 . 1 1 52 52 ASN N N 15 120.925 0.3 . 1 . . . . . 52 ASN N . 27057 1 221 . 1 1 53 53 ALA H H 1 7.966 0.020 . 1 . . . . . 53 ALA H . 27057 1 222 . 1 1 53 53 ALA CA C 13 53.707 0.3 . 1 . . . . . 53 ALA CA . 27057 1 223 . 1 1 53 53 ALA CB C 13 18.602 0.3 . 1 . . . . . 53 ALA CB . 27057 1 224 . 1 1 53 53 ALA N N 15 123.122 0.3 . 1 . . . . . 53 ALA N . 27057 1 225 . 1 1 54 54 LEU H H 1 7.809 0.020 . 1 . . . . . 54 LEU H . 27057 1 226 . 1 1 54 54 LEU CA C 13 55.897 0.3 . 1 . . . . . 54 LEU CA . 27057 1 227 . 1 1 54 54 LEU CB C 13 41.651 0.3 . 1 . . . . . 54 LEU CB . 27057 1 228 . 1 1 54 54 LEU CG C 13 26.907 0.3 . 1 . . . . . 54 LEU CG . 27057 1 229 . 1 1 54 54 LEU CD1 C 13 24.376 0.3 . 1 . . . . . 54 LEU CD1 . 27057 1 230 . 1 1 54 54 LEU CD2 C 13 23.490 0.3 . 1 . . . . . 54 LEU CD2 . 27057 1 231 . 1 1 54 54 LEU N N 15 119.215 0.3 . 1 . . . . . 54 LEU N . 27057 1 232 . 1 1 55 55 ARG H H 1 7.827 0.020 . 1 . . . . . 55 ARG H . 27057 1 233 . 1 1 55 55 ARG CA C 13 56.814 0.3 . 1 . . . . . 55 ARG CA . 27057 1 234 . 1 1 55 55 ARG CB C 13 30.096 0.3 . 1 . . . . . 55 ARG CB . 27057 1 235 . 1 1 55 55 ARG CG C 13 26.654 0.3 . 1 . . . . . 55 ARG CG . 27057 1 236 . 1 1 55 55 ARG CD C 13 43.043 0.3 . 1 . . . . . 55 ARG CD . 27057 1 237 . 1 1 55 55 ARG N N 15 119.942 0.3 . 1 . . . . . 55 ARG N . 27057 1 238 . 1 1 56 56 ASN H H 1 8.034 0.020 . 1 . . . . . 56 ASN H . 27057 1 239 . 1 1 56 56 ASN CA C 13 53.412 0.3 . 1 . . . . . 56 ASN CA . 27057 1 240 . 1 1 56 56 ASN CB C 13 38.372 0.3 . 1 . . . . . 56 ASN CB . 27057 1 241 . 1 1 56 56 ASN N N 15 118.094 0.3 . 1 . . . . . 56 ASN N . 27057 1 242 . 1 1 57 57 LYS H H 1 7.932 0.020 . 1 . . . . . 57 LYS H . 27057 1 243 . 1 1 57 57 LYS CA C 13 56.814 0.3 . 1 . . . . . 57 LYS CA . 27057 1 244 . 1 1 57 57 LYS CB C 13 32.481 0.3 . 1 . . . . . 57 LYS CB . 27057 1 245 . 1 1 57 57 LYS CG C 13 24.343 0.3 . 1 . . . . . 57 LYS CG . 27057 1 246 . 1 1 57 57 LYS CD C 13 29.047 0.3 . 1 . . . . . 57 LYS CD . 27057 1 247 . 1 1 57 57 LYS N N 15 121.384 0.3 . 1 . . . . . 57 LYS N . 27057 1 248 . 1 1 58 58 LYS H H 1 8.111 0.020 . 1 . . . . . 58 LYS H . 27057 1 249 . 1 1 58 58 LYS CA C 13 56.630 0.3 . 1 . . . . . 58 LYS CA . 27057 1 250 . 1 1 58 58 LYS CB C 13 32.603 0.3 . 1 . . . . . 58 LYS CB . 27057 1 251 . 1 1 58 58 LYS CG C 13 24.404 0.3 . 1 . . . . . 58 LYS CG . 27057 1 252 . 1 1 58 58 LYS CD C 13 29.122 0.3 . 1 . . . . . 58 LYS CD . 27057 1 253 . 1 1 58 58 LYS N N 15 121.372 0.3 . 1 . . . . . 58 LYS N . 27057 1 254 . 1 1 59 59 ASN H H 1 8.206 0.020 . 1 . . . . . 59 ASN H . 27057 1 255 . 1 1 59 59 ASN CA C 13 53.244 0.3 . 1 . . . . . 59 ASN CA . 27057 1 256 . 1 1 59 59 ASN CB C 13 38.663 0.3 . 1 . . . . . 59 ASN CB . 27057 1 257 . 1 1 59 59 ASN N N 15 118.946 0.3 . 1 . . . . . 59 ASN N . 27057 1 258 . 1 1 60 60 SER H H 1 8.028 0.020 . 1 . . . . . 60 SER H . 27057 1 259 . 1 1 60 60 SER CA C 13 58.547 0.3 . 1 . . . . . 60 SER CA . 27057 1 260 . 1 1 60 60 SER CB C 13 63.622 0.3 . 1 . . . . . 60 SER CB . 27057 1 261 . 1 1 60 60 SER N N 15 116.296 0.3 . 1 . . . . . 60 SER N . 27057 1 262 . 1 1 61 61 ARG H H 1 8.099 0.020 . 1 . . . . . 61 ARG H . 27057 1 263 . 1 1 61 61 ARG CA C 13 56.123 0.3 . 1 . . . . . 61 ARG CA . 27057 1 264 . 1 1 61 61 ARG CB C 13 30.434 0.3 . 1 . . . . . 61 ARG CB . 27057 1 265 . 1 1 61 61 ARG CG C 13 26.571 0.3 . 1 . . . . . 61 ARG CG . 27057 1 266 . 1 1 61 61 ARG CD C 13 42.737 0.3 . 1 . . . . . 61 ARG CD . 27057 1 267 . 1 1 61 61 ARG N N 15 122.765 0.3 . 1 . . . . . 61 ARG N . 27057 1 268 . 1 1 62 62 ARG H H 1 8.161 0.020 . 1 . . . . . 62 ARG H . 27057 1 269 . 1 1 62 62 ARG CA C 13 56.073 0.3 . 1 . . . . . 62 ARG CA . 27057 1 270 . 1 1 62 62 ARG CB C 13 30.821 0.3 . 1 . . . . . 62 ARG CB . 27057 1 271 . 1 1 62 62 ARG CG C 13 26.542 0.3 . 1 . . . . . 62 ARG CG . 27057 1 272 . 1 1 62 62 ARG CD C 13 42.677 0.3 . 1 . . . . . 62 ARG CD . 27057 1 273 . 1 1 62 62 ARG N N 15 122.920 0.3 . 1 . . . . . 62 ARG N . 27057 1 274 . 1 1 63 63 VAL H H 1 8.071 0.020 . 1 . . . . . 63 VAL H . 27057 1 275 . 1 1 63 63 VAL CA C 13 61.949 0.3 . 1 . . . . . 63 VAL CA . 27057 1 276 . 1 1 63 63 VAL CB C 13 32.725 0.3 . 1 . . . . . 63 VAL CB . 27057 1 277 . 1 1 63 63 VAL CG1 C 13 20.024 0.3 . 1 . . . . . 63 VAL CG1 . 27057 1 278 . 1 1 63 63 VAL CG2 C 13 20.024 0.3 . 1 . . . . . 63 VAL CG2 . 27057 1 279 . 1 1 63 63 VAL N N 15 122.023 0.3 . 1 . . . . . 63 VAL N . 27057 1 280 . 1 1 64 64 SER H H 1 8.229 0.020 . 1 . . . . . 64 SER H . 27057 1 281 . 1 1 64 64 SER CA C 13 57.679 0.3 . 1 . . . . . 64 SER CA . 27057 1 282 . 1 1 64 64 SER CB C 13 63.967 0.3 . 1 . . . . . 64 SER CB . 27057 1 283 . 1 1 64 64 SER N N 15 119.543 0.3 . 1 . . . . . 64 SER N . 27057 1 284 . 1 1 65 65 PHE H H 1 8.269 0.020 . 1 . . . . . 65 PHE H . 27057 1 285 . 1 1 65 65 PHE CA C 13 58.296 0.3 . 1 . . . . . 65 PHE CA . 27057 1 286 . 1 1 65 65 PHE CB C 13 38.963 0.3 . 1 . . . . . 65 PHE CB . 27057 1 287 . 1 1 65 65 PHE N N 15 122.977 0.3 . 1 . . . . . 65 PHE N . 27057 1 288 . 1 1 66 66 ALA H H 1 8.076 0.020 . 1 . . . . . 66 ALA H . 27057 1 289 . 1 1 66 66 ALA CA C 13 52.717 0.3 . 1 . . . . . 66 ALA CA . 27057 1 290 . 1 1 66 66 ALA CB C 13 18.908 0.3 . 1 . . . . . 66 ALA CB . 27057 1 291 . 1 1 66 66 ALA N N 15 124.148 0.3 . 1 . . . . . 66 ALA N . 27057 1 292 . 1 1 67 67 ASP H H 1 7.957 0.020 . 1 . . . . . 67 ASP H . 27057 1 293 . 1 1 67 67 ASP CA C 13 54.429 0.3 . 1 . . . . . 67 ASP CA . 27057 1 294 . 1 1 67 67 ASP CB C 13 40.918 0.3 . 1 . . . . . 67 ASP CB . 27057 1 295 . 1 1 67 67 ASP N N 15 118.992 0.3 . 1 . . . . . 67 ASP N . 27057 1 296 . 1 1 68 68 THR H H 1 7.826 0.020 . 1 . . . . . 68 THR H . 27057 1 297 . 1 1 68 68 THR CA C 13 62.216 0.3 . 1 . . . . . 68 THR CA . 27057 1 298 . 1 1 68 68 THR CB C 13 69.552 0.3 . 1 . . . . . 68 THR CB . 27057 1 299 . 1 1 68 68 THR CG2 C 13 21.239 0.3 . 1 . . . . . 68 THR CG2 . 27057 1 300 . 1 1 68 68 THR N N 15 114.042 0.3 . 1 . . . . . 68 THR N . 27057 1 301 . 1 1 69 69 ILE H H 1 7.857 0.020 . 1 . . . . . 69 ILE H . 27057 1 302 . 1 1 69 69 ILE CA C 13 61.262 0.3 . 1 . . . . . 69 ILE CA . 27057 1 303 . 1 1 69 69 ILE CB C 13 38.084 0.3 . 1 . . . . . 69 ILE CB . 27057 1 304 . 1 1 69 69 ILE CG1 C 13 26.985 0.3 . 1 . . . . . 69 ILE CG1 . 27057 1 305 . 1 1 69 69 ILE CG2 C 13 17.113 0.3 . 1 . . . . . 69 ILE CG2 . 27057 1 306 . 1 1 69 69 ILE CD1 C 13 12.367 0.3 . 1 . . . . . 69 ILE CD1 . 27057 1 307 . 1 1 69 69 ILE N N 15 123.158 0.3 . 1 . . . . . 69 ILE N . 27057 1 308 . 1 1 70 70 LYS H H 1 8.107 0.020 . 1 . . . . . 70 LYS H . 27057 1 309 . 1 1 70 70 LYS CA C 13 56.163 0.3 . 1 . . . . . 70 LYS CA . 27057 1 310 . 1 1 70 70 LYS CB C 13 32.686 0.3 . 1 . . . . . 70 LYS CB . 27057 1 311 . 1 1 70 70 LYS CG C 13 24.200 0.3 . 1 . . . . . 70 LYS CG . 27057 1 312 . 1 1 70 70 LYS CD C 13 28.693 0.3 . 1 . . . . . 70 LYS CD . 27057 1 313 . 1 1 70 70 LYS CE C 13 42.045 0.3 . 1 . . . . . 70 LYS CE . 27057 1 314 . 1 1 70 70 LYS N N 15 125.705 0.3 . 1 . . . . . 70 LYS N . 27057 1 315 . 1 1 71 71 VAL H H 1 7.867 0.020 . 1 . . . . . 71 VAL H . 27057 1 316 . 1 1 71 71 VAL CA C 13 62.072 0.3 . 1 . . . . . 71 VAL CA . 27057 1 317 . 1 1 71 71 VAL CB C 13 32.420 0.3 . 1 . . . . . 71 VAL CB . 27057 1 318 . 1 1 71 71 VAL CG1 C 13 20.214 0.3 . 1 . . . . . 71 VAL CG1 . 27057 1 319 . 1 1 71 71 VAL CG2 C 13 20.214 0.3 . 1 . . . . . 71 VAL CG2 . 27057 1 320 . 1 1 71 71 VAL N N 15 121.541 0.3 . 1 . . . . . 71 VAL N . 27057 1 321 . 1 1 72 72 PHE H H 1 8.190 0.020 . 1 . . . . . 72 PHE H . 27057 1 322 . 1 1 72 72 PHE CA C 13 57.731 0.3 . 1 . . . . . 72 PHE CA . 27057 1 323 . 1 1 72 72 PHE CB C 13 39.512 0.3 . 1 . . . . . 72 PHE CB . 27057 1 324 . 1 1 72 72 PHE N N 15 124.075 0.3 . 1 . . . . . 72 PHE N . 27057 1 325 . 1 1 73 73 GLN H H 1 8.152 0.020 . 1 . . . . . 73 GLN H . 27057 1 326 . 1 1 73 73 GLN CA C 13 55.549 0.3 . 1 . . . . . 73 GLN CA . 27057 1 327 . 1 1 73 73 GLN CB C 13 29.366 0.3 . 1 . . . . . 73 GLN CB . 27057 1 328 . 1 1 73 73 GLN CG C 13 33.249 0.3 . 1 . . . . . 73 GLN CG . 27057 1 329 . 1 1 73 73 GLN N N 15 122.361 0.3 . 1 . . . . . 73 GLN N . 27057 1 330 . 1 1 74 74 THR H H 1 8.049 0.020 . 1 . . . . . 74 THR H . 27057 1 331 . 1 1 74 74 THR CA C 13 62.032 0.3 . 1 . . . . . 74 THR CA . 27057 1 332 . 1 1 74 74 THR CB C 13 69.613 0.3 . 1 . . . . . 74 THR CB . 27057 1 333 . 1 1 74 74 THR CG2 C 13 21.163 0.3 . 1 . . . . . 74 THR CG2 . 27057 1 334 . 1 1 74 74 THR N N 15 115.871 0.3 . 1 . . . . . 74 THR N . 27057 1 335 . 1 1 75 75 GLU H H 1 8.355 0.020 . 1 . . . . . 75 GLU H . 27057 1 336 . 1 1 75 75 GLU CA C 13 56.569 0.3 . 1 . . . . . 75 GLU CA . 27057 1 337 . 1 1 75 75 GLU CB C 13 30.035 0.3 . 1 . . . . . 75 GLU CB . 27057 1 338 . 1 1 75 75 GLU CG C 13 35.717 0.3 . 1 . . . . . 75 GLU CG . 27057 1 339 . 1 1 75 75 GLU N N 15 123.061 0.3 . 1 . . . . . 75 GLU N . 27057 1 340 . 1 1 76 76 SER H H 1 8.197 0.020 . 1 . . . . . 76 SER H . 27057 1 341 . 1 1 76 76 SER CA C 13 58.670 0.3 . 1 . . . . . 76 SER CA . 27057 1 342 . 1 1 76 76 SER CB C 13 63.377 0.3 . 1 . . . . . 76 SER CB . 27057 1 343 . 1 1 76 76 SER N N 15 116.552 0.3 . 1 . . . . . 76 SER N . 27057 1 344 . 1 1 77 77 HIS H H 1 8.180 0.020 . 1 . . . . . 77 HIS H . 27057 1 345 . 1 1 77 77 HIS CA C 13 56.444 0.3 . 1 . . . . . 77 HIS CA . 27057 1 346 . 1 1 77 77 HIS CB C 13 30.253 0.3 . 1 . . . . . 77 HIS CB . 27057 1 347 . 1 1 77 77 HIS N N 15 120.958 0.3 . 1 . . . . . 77 HIS N . 27057 1 348 . 1 1 78 78 MET H H 1 7.965 0.020 . 1 . . . . . 78 MET H . 27057 1 349 . 1 1 78 78 MET CA C 13 55.407 0.3 . 1 . . . . . 78 MET CA . 27057 1 350 . 1 1 78 78 MET CB C 13 32.542 0.3 . 1 . . . . . 78 MET CB . 27057 1 351 . 1 1 78 78 MET CG C 13 31.224 0.3 . 1 . . . . . 78 MET CG . 27057 1 352 . 1 1 78 78 MET N N 15 120.551 0.3 . 1 . . . . . 78 MET N . 27057 1 353 . 1 1 79 79 LYS H H 1 8.102 0.020 . 1 . . . . . 79 LYS H . 27057 1 354 . 1 1 79 79 LYS CA C 13 56.169 0.3 . 1 . . . . . 79 LYS CA . 27057 1 355 . 1 1 79 79 LYS CB C 13 32.639 0.3 . 1 . . . . . 79 LYS CB . 27057 1 356 . 1 1 79 79 LYS CG C 13 24.183 0.3 . 1 . . . . . 79 LYS CG . 27057 1 357 . 1 1 79 79 LYS CD C 13 28.880 0.3 . 1 . . . . . 79 LYS CD . 27057 1 358 . 1 1 79 79 LYS N N 15 122.697 0.3 . 1 . . . . . 79 LYS N . 27057 1 359 . 1 1 80 80 ILE H H 1 8.013 0.020 . 1 . . . . . 80 ILE H . 27057 1 360 . 1 1 80 80 ILE CA C 13 60.665 0.3 . 1 . . . . . 80 ILE CA . 27057 1 361 . 1 1 80 80 ILE CB C 13 38.350 0.3 . 1 . . . . . 80 ILE CB . 27057 1 362 . 1 1 80 80 ILE CG1 C 13 27.238 0.3 . 1 . . . . . 80 ILE CG1 . 27057 1 363 . 1 1 80 80 ILE CG2 C 13 16.860 0.3 . 1 . . . . . 80 ILE CG2 . 27057 1 364 . 1 1 80 80 ILE CD1 C 13 12.051 0.3 . 1 . . . . . 80 ILE CD1 . 27057 1 365 . 1 1 80 80 ILE N N 15 123.291 0.3 . 1 . . . . . 80 ILE N . 27057 1 366 . 1 1 81 81 VAL H H 1 8.189 0.020 . 1 . . . . . 81 VAL H . 27057 1 367 . 1 1 81 81 VAL CA C 13 62.077 0.3 . 1 . . . . . 81 VAL CA . 27057 1 368 . 1 1 81 81 VAL CB C 13 32.481 0.3 . 1 . . . . . 81 VAL CB . 27057 1 369 . 1 1 81 81 VAL CG1 C 13 20.277 0.3 . 1 . . . . . 81 VAL CG1 . 27057 1 370 . 1 1 81 81 VAL CG2 C 13 20.277 0.3 . 1 . . . . . 81 VAL CG2 . 27057 1 371 . 1 1 81 81 VAL N N 15 126.429 0.3 . 1 . . . . . 81 VAL N . 27057 1 372 . 1 1 82 82 ARG H H 1 8.323 0.020 . 1 . . . . . 82 ARG H . 27057 1 373 . 1 1 82 82 ARG CA C 13 55.591 0.3 . 1 . . . . . 82 ARG CA . 27057 1 374 . 1 1 82 82 ARG CB C 13 30.830 0.3 . 1 . . . . . 82 ARG CB . 27057 1 375 . 1 1 82 82 ARG CG C 13 26.605 0.3 . 1 . . . . . 82 ARG CG . 27057 1 376 . 1 1 82 82 ARG CD C 13 42.931 0.3 . 1 . . . . . 82 ARG CD . 27057 1 377 . 1 1 82 82 ARG N N 15 126.381 0.3 . 1 . . . . . 82 ARG N . 27057 1 378 . 1 1 83 83 LYS H H 1 8.355 0.020 . 1 . . . . . 83 LYS H . 27057 1 379 . 1 1 83 83 LYS CA C 13 56.325 0.3 . 1 . . . . . 83 LYS CA . 27057 1 380 . 1 1 83 83 LYS CB C 13 32.909 0.3 . 1 . . . . . 83 LYS CB . 27057 1 381 . 1 1 83 83 LYS CG C 13 23.878 0.3 . 1 . . . . . 83 LYS CG . 27057 1 382 . 1 1 83 83 LYS CD C 13 28.440 0.3 . 1 . . . . . 83 LYS CD . 27057 1 383 . 1 1 83 83 LYS CE C 13 41.602 0.3 . 1 . . . . . 83 LYS CE . 27057 1 384 . 1 1 83 83 LYS N N 15 124.474 0.3 . 1 . . . . . 83 LYS N . 27057 1 385 . 1 1 84 84 SER H H 1 7.866 0.020 . 1 . . . . . 84 SER H . 27057 1 386 . 1 1 84 84 SER CA C 13 59.770 0.3 . 1 . . . . . 84 SER CA . 27057 1 387 . 1 1 84 84 SER CB C 13 64.600 0.3 . 1 . . . . . 84 SER CB . 27057 1 388 . 1 1 84 84 SER N N 15 123.267 0.3 . 1 . . . . . 84 SER N . 27057 1 stop_ save_