data_27071 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27071 _Entry.Title ; BTHB domain from human FKBP25 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-04-12 _Entry.Accession_date 2017-04-12 _Entry.Last_release_date 2017-04-12 _Entry.Original_release_date 2017-04-12 _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 . 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 Santosh Upadhyay . K. . . 27071 2 Cameron Mackereth . D. . . 27071 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27071 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 210 27071 '15N chemical shifts' 80 27071 '1H chemical shifts' 90 27071 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 2 . . 2018-02-01 2017-04-12 update BMRB 'update entry citation' 27071 1 . . 2017-11-10 2017-04-12 original author 'original release' 27071 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27070 'human FKBP25' 27071 SP Q00688 'Peptidyl-prolyl cis-trans isomerase FKBP3' 27071 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27071 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29036638 _Citation.Full_citation . _Citation.Title ; The basic tilted helix bundle domain of the prolyl isomerase FKBP25 is a novel double-stranded RNA binding module. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 45 _Citation.Journal_issue 20 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1362-4962 _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 11989 _Citation.Page_last 12004 _Citation.Year 2017 _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 David Dilworth D. . . . 27071 1 2 Santosh Upadhyay S. K. . . 27071 1 3 Pierre Bonnafous P. . . . 27071 1 4 'Amiirah Bibi' Edoo A. B. . . 27071 1 5 Sarah Bourbigot S. . . . 27071 1 6 Francy Pesek-Jardim F. . . . 27071 1 7 Geoff Gudavicius G. . . . 27071 1 8 Jason Serpa J. J. . . 27071 1 9 Evgeniy Petrotchenko E. V. . . 27071 1 10 Christoph Borchers C. H. . . 27071 1 11 Christopher Nelson C. J. . . 27071 1 12 Cameron Mackereth C. D. . . 27071 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27071 _Assembly.ID 1 _Assembly.Name BTHB _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 BTHB 1 $BTHB A . yes native no no . . . 27071 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BTHB _Entity.Sf_category entity _Entity.Sf_framecode BTHB _Entity.Entry_ID 27071 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BTHB _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 ; GAMAAAVPQRAWTVEQLRSE QLPKKDIIKFLQEHGSDSFL AEHKLLGNIKNVAKTANKDH LVTAYNHLFETKRFKG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q00688 . FKBP3 . . . . . . . . . . . . . . 27071 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 -1 GLY . 27071 1 2 0 ALA . 27071 1 3 1 MET . 27071 1 4 2 ALA . 27071 1 5 3 ALA . 27071 1 6 4 ALA . 27071 1 7 5 VAL . 27071 1 8 6 PRO . 27071 1 9 7 GLN . 27071 1 10 8 ARG . 27071 1 11 9 ALA . 27071 1 12 10 TRP . 27071 1 13 11 THR . 27071 1 14 12 VAL . 27071 1 15 13 GLU . 27071 1 16 14 GLN . 27071 1 17 15 LEU . 27071 1 18 16 ARG . 27071 1 19 17 SER . 27071 1 20 18 GLU . 27071 1 21 19 GLN . 27071 1 22 20 LEU . 27071 1 23 21 PRO . 27071 1 24 22 LYS . 27071 1 25 23 LYS . 27071 1 26 24 ASP . 27071 1 27 25 ILE . 27071 1 28 26 ILE . 27071 1 29 27 LYS . 27071 1 30 28 PHE . 27071 1 31 29 LEU . 27071 1 32 30 GLN . 27071 1 33 31 GLU . 27071 1 34 32 HIS . 27071 1 35 33 GLY . 27071 1 36 34 SER . 27071 1 37 35 ASP . 27071 1 38 36 SER . 27071 1 39 37 PHE . 27071 1 40 38 LEU . 27071 1 41 39 ALA . 27071 1 42 40 GLU . 27071 1 43 41 HIS . 27071 1 44 42 LYS . 27071 1 45 43 LEU . 27071 1 46 44 LEU . 27071 1 47 45 GLY . 27071 1 48 46 ASN . 27071 1 49 47 ILE . 27071 1 50 48 LYS . 27071 1 51 49 ASN . 27071 1 52 50 VAL . 27071 1 53 51 ALA . 27071 1 54 52 LYS . 27071 1 55 53 THR . 27071 1 56 54 ALA . 27071 1 57 55 ASN . 27071 1 58 56 LYS . 27071 1 59 57 ASP . 27071 1 60 58 HIS . 27071 1 61 59 LEU . 27071 1 62 60 VAL . 27071 1 63 61 THR . 27071 1 64 62 ALA . 27071 1 65 63 TYR . 27071 1 66 64 ASN . 27071 1 67 65 HIS . 27071 1 68 66 LEU . 27071 1 69 67 PHE . 27071 1 70 68 GLU . 27071 1 71 69 THR . 27071 1 72 70 LYS . 27071 1 73 71 ARG . 27071 1 74 72 PHE . 27071 1 75 73 LYS . 27071 1 76 74 GLY . 27071 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 27071 1 . ALA 2 2 27071 1 . MET 3 3 27071 1 . ALA 4 4 27071 1 . ALA 5 5 27071 1 . ALA 6 6 27071 1 . VAL 7 7 27071 1 . PRO 8 8 27071 1 . GLN 9 9 27071 1 . ARG 10 10 27071 1 . ALA 11 11 27071 1 . TRP 12 12 27071 1 . THR 13 13 27071 1 . VAL 14 14 27071 1 . GLU 15 15 27071 1 . GLN 16 16 27071 1 . LEU 17 17 27071 1 . ARG 18 18 27071 1 . SER 19 19 27071 1 . GLU 20 20 27071 1 . GLN 21 21 27071 1 . LEU 22 22 27071 1 . PRO 23 23 27071 1 . LYS 24 24 27071 1 . LYS 25 25 27071 1 . ASP 26 26 27071 1 . ILE 27 27 27071 1 . ILE 28 28 27071 1 . LYS 29 29 27071 1 . PHE 30 30 27071 1 . LEU 31 31 27071 1 . GLN 32 32 27071 1 . GLU 33 33 27071 1 . HIS 34 34 27071 1 . GLY 35 35 27071 1 . SER 36 36 27071 1 . ASP 37 37 27071 1 . SER 38 38 27071 1 . PHE 39 39 27071 1 . LEU 40 40 27071 1 . ALA 41 41 27071 1 . GLU 42 42 27071 1 . HIS 43 43 27071 1 . LYS 44 44 27071 1 . LEU 45 45 27071 1 . LEU 46 46 27071 1 . GLY 47 47 27071 1 . ASN 48 48 27071 1 . ILE 49 49 27071 1 . LYS 50 50 27071 1 . ASN 51 51 27071 1 . VAL 52 52 27071 1 . ALA 53 53 27071 1 . LYS 54 54 27071 1 . THR 55 55 27071 1 . ALA 56 56 27071 1 . ASN 57 57 27071 1 . LYS 58 58 27071 1 . ASP 59 59 27071 1 . HIS 60 60 27071 1 . LEU 61 61 27071 1 . VAL 62 62 27071 1 . THR 63 63 27071 1 . ALA 64 64 27071 1 . TYR 65 65 27071 1 . ASN 66 66 27071 1 . HIS 67 67 27071 1 . LEU 68 68 27071 1 . PHE 69 69 27071 1 . GLU 70 70 27071 1 . THR 71 71 27071 1 . LYS 72 72 27071 1 . ARG 73 73 27071 1 . PHE 74 74 27071 1 . LYS 75 75 27071 1 . GLY 76 76 27071 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 27071 _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 $BTHB . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27071 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 27071 _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 $BTHB . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 pLysY . . . . pET-His1a . . . 27071 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27071 _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 BTHB '[U-99% 13C; U-99% 15N]' . . 1 $BTHB . . 310 . . uM . . . . 27071 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27071 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 27071 1 4 D2O '[U-99% 2H]' . . . . . . 10 . . '% v/v' . . . . 27071 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 27071 _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 'ionic strength' 170 . mM 27071 1 pH 6.5 . pH 27071 1 pressure 1 . atm 27071 1 temperature 298 . K 27071 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27071 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27071 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27071 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27071 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27071 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27071 3 'data analysis' 27071 3 'peak picking' 27071 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27071 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27071 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27071 1 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 27071 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 27071 _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 . 700 . . . 27071 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 27071 _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 . . . . . . . . . . . . . . . . 27071 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27071 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27071 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27071 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 27071 _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 . . . . . 27071 1 H 1 water protons . . . . ppm 4.759 internal direct 1 . . . . . 27071 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 27071 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 27071 _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' . . . 27071 1 2 '3D HNCO' . . . 27071 1 3 '3D HNCACB' . . . 27071 1 4 '3D 1H-15N NOESY' . . . 27071 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 MET H H 1 8.468 0.02 . 1 . . . . . 1 MET HN . 27071 1 2 . 1 1 3 3 MET C C 13 175.912 0.2 . 1 . . . . . 1 MET C . 27071 1 3 . 1 1 3 3 MET CA C 13 55.408 0.2 . 1 . . . . . 1 MET CA . 27071 1 4 . 1 1 3 3 MET CB C 13 33.032 0.2 . 1 . . . . . 1 MET CB . 27071 1 5 . 1 1 3 3 MET N N 15 120.129 0.2 . 1 . . . . . 1 MET N . 27071 1 6 . 1 1 4 4 ALA H H 1 8.344 0.02 . 1 . . . . . 2 ALA HN . 27071 1 7 . 1 1 4 4 ALA C C 13 177.231 0.2 . 1 . . . . . 2 ALA C . 27071 1 8 . 1 1 4 4 ALA CA C 13 52.475 0.2 . 1 . . . . . 2 ALA CA . 27071 1 9 . 1 1 4 4 ALA CB C 13 19.411 0.2 . 1 . . . . . 2 ALA CB . 27071 1 10 . 1 1 4 4 ALA N N 15 126.005 0.2 . 1 . . . . . 2 ALA N . 27071 1 11 . 1 1 5 5 ALA H H 1 8.3 0.02 . 1 . . . . . 3 ALA HN . 27071 1 12 . 1 1 5 5 ALA C C 13 177.211 0.2 . 1 . . . . . 3 ALA C . 27071 1 13 . 1 1 5 5 ALA CA C 13 52.326 0.2 . 1 . . . . . 3 ALA CA . 27071 1 14 . 1 1 5 5 ALA CB C 13 19.411 0.2 . 1 . . . . . 3 ALA CB . 27071 1 15 . 1 1 5 5 ALA N N 15 123.993 0.2 . 1 . . . . . 3 ALA N . 27071 1 16 . 1 1 6 6 ALA H H 1 8.231 0.02 . 1 . . . . . 4 ALA HN . 27071 1 17 . 1 1 6 6 ALA C C 13 177.202 0.2 . 1 . . . . . 4 ALA C . 27071 1 18 . 1 1 6 6 ALA CA C 13 52.146 0.2 . 1 . . . . . 4 ALA CA . 27071 1 19 . 1 1 6 6 ALA CB C 13 19.337 0.2 . 1 . . . . . 4 ALA CB . 27071 1 20 . 1 1 6 6 ALA N N 15 123.893 0.2 . 1 . . . . . 4 ALA N . 27071 1 21 . 1 1 7 7 VAL H H 1 7.981 0.02 . 1 . . . . . 5 VAL HN . 27071 1 22 . 1 1 7 7 VAL CA C 13 59.527 0.2 . 1 . . . . . 5 VAL CA . 27071 1 23 . 1 1 7 7 VAL CB C 13 32.257 0.2 . 1 . . . . . 5 VAL CB . 27071 1 24 . 1 1 7 7 VAL N N 15 121.096 0.2 . 1 . . . . . 5 VAL N . 27071 1 25 . 1 1 8 8 PRO C C 13 175.29 0.2 . 1 . . . . . 6 PRO C . 27071 1 26 . 1 1 8 8 PRO CA C 13 62.518 0.2 . 1 . . . . . 6 PRO CA . 27071 1 27 . 1 1 8 8 PRO CB C 13 31.876 0.2 . 1 . . . . . 6 PRO CB . 27071 1 28 . 1 1 9 9 GLN H H 1 8.226 0.02 . 1 . . . . . 7 GLN HN . 27071 1 29 . 1 1 9 9 GLN HE21 H 1 7.449 0.02 . 2 . . . . . 7 GLN HE21 . 27071 1 30 . 1 1 9 9 GLN HE22 H 1 6.807 0.02 . 2 . . . . . 7 GLN HE22 . 27071 1 31 . 1 1 9 9 GLN C C 13 175.747 0.2 . 1 . . . . . 7 GLN C . 27071 1 32 . 1 1 9 9 GLN CA C 13 55.022 0.2 . 1 . . . . . 7 GLN CA . 27071 1 33 . 1 1 9 9 GLN CB C 13 30.123 0.2 . 1 . . . . . 7 GLN CB . 27071 1 34 . 1 1 9 9 GLN CD C 13 180.251 0.2 . 1 . . . . . 7 GLN CD . 27071 1 35 . 1 1 9 9 GLN N N 15 118.519 0.2 . 1 . . . . . 7 GLN N . 27071 1 36 . 1 1 9 9 GLN NE2 N 15 113.001 0.2 . 1 . . . . . 7 GLN NE2 . 27071 1 37 . 1 1 10 10 ARG H H 1 8.377 0.02 . 1 . . . . . 8 ARG HN . 27071 1 38 . 1 1 10 10 ARG C C 13 175.412 0.2 . 1 . . . . . 8 ARG C . 27071 1 39 . 1 1 10 10 ARG CA C 13 55.972 0.2 . 1 . . . . . 8 ARG CA . 27071 1 40 . 1 1 10 10 ARG CB C 13 28.948 0.2 . 1 . . . . . 8 ARG CB . 27071 1 41 . 1 1 10 10 ARG N N 15 124.975 0.2 . 1 . . . . . 8 ARG N . 27071 1 42 . 1 1 11 11 ALA H H 1 7.276 0.02 . 1 . . . . . 9 ALA HN . 27071 1 43 . 1 1 11 11 ALA C C 13 177.102 0.2 . 1 . . . . . 9 ALA C . 27071 1 44 . 1 1 11 11 ALA CA C 13 52.988 0.2 . 1 . . . . . 9 ALA CA . 27071 1 45 . 1 1 11 11 ALA CB C 13 19.382 0.2 . 1 . . . . . 9 ALA CB . 27071 1 46 . 1 1 11 11 ALA N N 15 128.274 0.2 . 1 . . . . . 9 ALA N . 27071 1 47 . 1 1 12 12 TRP H H 1 7.118 0.02 . 1 . . . . . 10 TRP HN . 27071 1 48 . 1 1 12 12 TRP HE1 H 1 10.128 0.02 . 1 . . . . . 10 TRP HE1 . 27071 1 49 . 1 1 12 12 TRP C C 13 177.005 0.2 . 1 . . . . . 10 TRP C . 27071 1 50 . 1 1 12 12 TRP CA C 13 55.649 0.2 . 1 . . . . . 10 TRP CA . 27071 1 51 . 1 1 12 12 TRP CB C 13 31.091 0.2 . 1 . . . . . 10 TRP CB . 27071 1 52 . 1 1 12 12 TRP N N 15 114.929 0.2 . 1 . . . . . 10 TRP N . 27071 1 53 . 1 1 12 12 TRP NE1 N 15 130.092 0.2 . 1 . . . . . 10 TRP NE1 . 27071 1 54 . 1 1 13 13 THR H H 1 8.845 0.02 . 1 . . . . . 11 THR HN . 27071 1 55 . 1 1 13 13 THR C C 13 175.597 0.2 . 1 . . . . . 11 THR C . 27071 1 56 . 1 1 13 13 THR CA C 13 60.27 0.2 . 1 . . . . . 11 THR CA . 27071 1 57 . 1 1 13 13 THR CB C 13 71.438 0.2 . 1 . . . . . 11 THR CB . 27071 1 58 . 1 1 13 13 THR N N 15 114.426 0.2 . 1 . . . . . 11 THR N . 27071 1 59 . 1 1 14 14 VAL H H 1 8.906 0.02 . 1 . . . . . 12 VAL HN . 27071 1 60 . 1 1 14 14 VAL C C 13 177.08 0.2 . 1 . . . . . 12 VAL C . 27071 1 61 . 1 1 14 14 VAL CA C 13 67.479 0.2 . 1 . . . . . 12 VAL CA . 27071 1 62 . 1 1 14 14 VAL CB C 13 31.405 0.2 . 1 . . . . . 12 VAL CB . 27071 1 63 . 1 1 14 14 VAL N N 15 120.493 0.2 . 1 . . . . . 12 VAL N . 27071 1 64 . 1 1 15 15 GLU H H 1 8.398 0.02 . 1 . . . . . 13 GLU HN . 27071 1 65 . 1 1 15 15 GLU C C 13 179.743 0.2 . 1 . . . . . 13 GLU C . 27071 1 66 . 1 1 15 15 GLU CA C 13 60.339 0.2 . 1 . . . . . 13 GLU CA . 27071 1 67 . 1 1 15 15 GLU CB C 13 28.828 0.2 . 1 . . . . . 13 GLU CB . 27071 1 68 . 1 1 15 15 GLU N N 15 118.425 0.2 . 1 . . . . . 13 GLU N . 27071 1 69 . 1 1 16 16 GLN H H 1 7.616 0.02 . 1 . . . . . 14 GLN HN . 27071 1 70 . 1 1 16 16 GLN HE21 H 1 7.55 0.02 . 2 . . . . . 14 GLN HE21 . 27071 1 71 . 1 1 16 16 GLN HE22 H 1 6.894 0.02 . 2 . . . . . 14 GLN HE22 . 27071 1 72 . 1 1 16 16 GLN C C 13 179.088 0.2 . 1 . . . . . 14 GLN C . 27071 1 73 . 1 1 16 16 GLN CA C 13 58.887 0.2 . 1 . . . . . 14 GLN CA . 27071 1 74 . 1 1 16 16 GLN CB C 13 28.744 0.2 . 1 . . . . . 14 GLN CB . 27071 1 75 . 1 1 16 16 GLN N N 15 118.796 0.2 . 1 . . . . . 14 GLN N . 27071 1 76 . 1 1 16 16 GLN NE2 N 15 110.799 0.2 . 1 . . . . . 14 GLN NE2 . 27071 1 77 . 1 1 17 17 LEU H H 1 8.137 0.02 . 1 . . . . . 15 LEU HN . 27071 1 78 . 1 1 17 17 LEU C C 13 178.16 0.2 . 1 . . . . . 15 LEU C . 27071 1 79 . 1 1 17 17 LEU CA C 13 57.625 0.2 . 1 . . . . . 15 LEU CA . 27071 1 80 . 1 1 17 17 LEU CB C 13 43.309 0.2 . 1 . . . . . 15 LEU CB . 27071 1 81 . 1 1 17 17 LEU N N 15 118.327 0.2 . 1 . . . . . 15 LEU N . 27071 1 82 . 1 1 18 18 ARG H H 1 7.651 0.02 . 1 . . . . . 16 ARG HN . 27071 1 83 . 1 1 18 18 ARG C C 13 176.17 0.2 . 1 . . . . . 16 ARG C . 27071 1 84 . 1 1 18 18 ARG CA C 13 57.63 0.2 . 1 . . . . . 16 ARG CA . 27071 1 85 . 1 1 18 18 ARG CB C 13 30.718 0.2 . 1 . . . . . 16 ARG CB . 27071 1 86 . 1 1 18 18 ARG N N 15 113.549 0.2 . 1 . . . . . 16 ARG N . 27071 1 87 . 1 1 19 19 SER H H 1 7.26 0.02 . 1 . . . . . 17 SER HN . 27071 1 88 . 1 1 19 19 SER CA C 13 58.608 0.2 . 1 . . . . . 17 SER CA . 27071 1 89 . 1 1 19 19 SER CB C 13 64.23 0.2 . 1 . . . . . 17 SER CB . 27071 1 90 . 1 1 19 19 SER N N 15 115.784 0.2 . 1 . . . . . 17 SER N . 27071 1 91 . 1 1 20 20 GLU H H 1 8.939 0.02 . 1 . . . . . 18 GLU HN . 27071 1 92 . 1 1 20 20 GLU C C 13 177.562 0.2 . 1 . . . . . 18 GLU C . 27071 1 93 . 1 1 20 20 GLU CA C 13 57.987 0.2 . 1 . . . . . 18 GLU CA . 27071 1 94 . 1 1 20 20 GLU CB C 13 29.286 0.2 . 1 . . . . . 18 GLU CB . 27071 1 95 . 1 1 20 20 GLU N N 15 124.31 0.2 . 1 . . . . . 18 GLU N . 27071 1 96 . 1 1 21 21 GLN H H 1 8.046 0.02 . 1 . . . . . 19 GLN HN . 27071 1 97 . 1 1 21 21 GLN HE21 H 1 7.552 0.02 . 2 . . . . . 19 GLN HE21 . 27071 1 98 . 1 1 21 21 GLN HE22 H 1 6.856 0.02 . 2 . . . . . 19 GLN HE22 . 27071 1 99 . 1 1 21 21 GLN C C 13 174.994 0.2 . 1 . . . . . 19 GLN C . 27071 1 100 . 1 1 21 21 GLN CA C 13 57.176 0.2 . 1 . . . . . 19 GLN CA . 27071 1 101 . 1 1 21 21 GLN CB C 13 28.457 0.2 . 1 . . . . . 19 GLN CB . 27071 1 102 . 1 1 21 21 GLN N N 15 115.949 0.2 . 1 . . . . . 19 GLN N . 27071 1 103 . 1 1 21 21 GLN NE2 N 15 112.362 0.2 . 1 . . . . . 19 GLN NE2 . 27071 1 104 . 1 1 22 22 LEU H H 1 7.13 0.02 . 1 . . . . . 20 LEU HN . 27071 1 105 . 1 1 22 22 LEU CA C 13 50.913 0.2 . 1 . . . . . 20 LEU CA . 27071 1 106 . 1 1 22 22 LEU CB C 13 42.404 0.2 . 1 . . . . . 20 LEU CB . 27071 1 107 . 1 1 22 22 LEU N N 15 123.25 0.2 . 1 . . . . . 20 LEU N . 27071 1 108 . 1 1 23 23 PRO C C 13 177.863 0.2 . 1 . . . . . 21 PRO C . 27071 1 109 . 1 1 23 23 PRO CA C 13 62.298 0.2 . 1 . . . . . 21 PRO CA . 27071 1 110 . 1 1 24 24 LYS H H 1 8.804 0.02 . 1 . . . . . 22 LYS HN . 27071 1 111 . 1 1 24 24 LYS C C 13 179.101 0.2 . 1 . . . . . 22 LYS C . 27071 1 112 . 1 1 24 24 LYS CA C 13 61.158 0.2 . 1 . . . . . 22 LYS CA . 27071 1 113 . 1 1 24 24 LYS CB C 13 32.768 0.2 . 1 . . . . . 22 LYS CB . 27071 1 114 . 1 1 24 24 LYS N N 15 121.41 0.2 . 1 . . . . . 22 LYS N . 27071 1 115 . 1 1 25 25 LYS H H 1 8.888 0.02 . 1 . . . . . 23 LYS HN . 27071 1 116 . 1 1 25 25 LYS C C 13 176.908 0.2 . 1 . . . . . 23 LYS C . 27071 1 117 . 1 1 25 25 LYS CA C 13 60.154 0.2 . 1 . . . . . 23 LYS CA . 27071 1 118 . 1 1 25 25 LYS CB C 13 31.764 0.2 . 1 . . . . . 23 LYS CB . 27071 1 119 . 1 1 25 25 LYS N N 15 115.425 0.2 . 1 . . . . . 23 LYS N . 27071 1 120 . 1 1 26 26 ASP H H 1 7.242 0.02 . 1 . . . . . 24 ASP HN . 27071 1 121 . 1 1 26 26 ASP C C 13 179.281 0.2 . 1 . . . . . 24 ASP C . 27071 1 122 . 1 1 26 26 ASP CA C 13 57.715 0.2 . 1 . . . . . 24 ASP CA . 27071 1 123 . 1 1 26 26 ASP CB C 13 40.09 0.2 . 1 . . . . . 24 ASP CB . 27071 1 124 . 1 1 26 26 ASP N N 15 120.591 0.2 . 1 . . . . . 24 ASP N . 27071 1 125 . 1 1 27 27 ILE H H 1 7.208 0.02 . 1 . . . . . 25 ILE HN . 27071 1 126 . 1 1 27 27 ILE C C 13 178.113 0.2 . 1 . . . . . 25 ILE C . 27071 1 127 . 1 1 27 27 ILE CA C 13 65.152 0.2 . 1 . . . . . 25 ILE CA . 27071 1 128 . 1 1 27 27 ILE CB C 13 38.672 0.2 . 1 . . . . . 25 ILE CB . 27071 1 129 . 1 1 27 27 ILE N N 15 120.755 0.2 . 1 . . . . . 25 ILE N . 27071 1 130 . 1 1 28 28 ILE H H 1 8.389 0.02 . 1 . . . . . 26 ILE HN . 27071 1 131 . 1 1 28 28 ILE C C 13 177.032 0.2 . 1 . . . . . 26 ILE C . 27071 1 132 . 1 1 28 28 ILE CA C 13 67.025 0.2 . 1 . . . . . 26 ILE CA . 27071 1 133 . 1 1 28 28 ILE CB C 13 38.593 0.2 . 1 . . . . . 26 ILE CB . 27071 1 134 . 1 1 28 28 ILE N N 15 118.72 0.2 . 1 . . . . . 26 ILE N . 27071 1 135 . 1 1 29 29 LYS H H 1 8.509 0.02 . 1 . . . . . 27 LYS HN . 27071 1 136 . 1 1 29 29 LYS C C 13 177.934 0.2 . 1 . . . . . 27 LYS C . 27071 1 137 . 1 1 29 29 LYS CA C 13 60.723 0.2 . 1 . . . . . 27 LYS CA . 27071 1 138 . 1 1 29 29 LYS CB C 13 32.736 0.2 . 1 . . . . . 27 LYS CB . 27071 1 139 . 1 1 29 29 LYS N N 15 119.935 0.2 . 1 . . . . . 27 LYS N . 27071 1 140 . 1 1 30 30 PHE H H 1 7.675 0.02 . 1 . . . . . 28 PHE HN . 27071 1 141 . 1 1 30 30 PHE C C 13 178.574 0.2 . 1 . . . . . 28 PHE C . 27071 1 142 . 1 1 30 30 PHE CA C 13 62.705 0.2 . 1 . . . . . 28 PHE CA . 27071 1 143 . 1 1 30 30 PHE CB C 13 39.787 0.2 . 1 . . . . . 28 PHE CB . 27071 1 144 . 1 1 30 30 PHE N N 15 117.918 0.2 . 1 . . . . . 28 PHE N . 27071 1 145 . 1 1 31 31 LEU H H 1 8.709 0.02 . 1 . . . . . 29 LEU HN . 27071 1 146 . 1 1 31 31 LEU C C 13 178.717 0.2 . 1 . . . . . 29 LEU C . 27071 1 147 . 1 1 31 31 LEU CA C 13 58.783 0.2 . 1 . . . . . 29 LEU CA . 27071 1 148 . 1 1 31 31 LEU CB C 13 41.942 0.2 . 1 . . . . . 29 LEU CB . 27071 1 149 . 1 1 31 31 LEU N N 15 119.86 0.2 . 1 . . . . . 29 LEU N . 27071 1 150 . 1 1 32 32 GLN H H 1 9.119 0.02 . 1 . . . . . 30 GLN HN . 27071 1 151 . 1 1 32 32 GLN HE21 H 1 7.89 0.02 . 2 . . . . . 30 GLN HE21 . 27071 1 152 . 1 1 32 32 GLN HE22 H 1 7.052 0.02 . 2 . . . . . 30 GLN HE22 . 27071 1 153 . 1 1 32 32 GLN C C 13 178.024 0.2 . 1 . . . . . 30 GLN C . 27071 1 154 . 1 1 32 32 GLN CA C 13 59.072 0.2 . 1 . . . . . 30 GLN CA . 27071 1 155 . 1 1 32 32 GLN CB C 13 28.11 0.2 . 1 . . . . . 30 GLN CB . 27071 1 156 . 1 1 32 32 GLN N N 15 116.983 0.2 . 1 . . . . . 30 GLN N . 27071 1 157 . 1 1 32 32 GLN NE2 N 15 108.864 0.2 . 1 . . . . . 30 GLN NE2 . 27071 1 158 . 1 1 33 33 GLU H H 1 7.975 0.02 . 1 . . . . . 31 GLU HN . 27071 1 159 . 1 1 33 33 GLU C C 13 177.584 0.2 . 1 . . . . . 31 GLU C . 27071 1 160 . 1 1 33 33 GLU CA C 13 57.885 0.2 . 1 . . . . . 31 GLU CA . 27071 1 161 . 1 1 33 33 GLU CB C 13 30.028 0.2 . 1 . . . . . 31 GLU CB . 27071 1 162 . 1 1 33 33 GLU N N 15 116.248 0.2 . 1 . . . . . 31 GLU N . 27071 1 163 . 1 1 34 34 HIS H H 1 7.341 0.02 . 1 . . . . . 32 HIS HN . 27071 1 164 . 1 1 34 34 HIS C C 13 175.021 0.2 . 1 . . . . . 32 HIS C . 27071 1 165 . 1 1 34 34 HIS CA C 13 57.182 0.2 . 1 . . . . . 32 HIS CA . 27071 1 166 . 1 1 34 34 HIS CB C 13 30.821 0.2 . 1 . . . . . 32 HIS CB . 27071 1 167 . 1 1 34 34 HIS N N 15 111.41 0.2 . 1 . . . . . 32 HIS N . 27071 1 168 . 1 1 35 35 GLY H H 1 8.747 0.02 . 1 . . . . . 33 GLY HN . 27071 1 169 . 1 1 35 35 GLY C C 13 172.026 0.2 . 1 . . . . . 33 GLY C . 27071 1 170 . 1 1 35 35 GLY CA C 13 44.713 0.2 . 1 . . . . . 33 GLY CA . 27071 1 171 . 1 1 35 35 GLY N N 15 110.672 0.2 . 1 . . . . . 33 GLY N . 27071 1 172 . 1 1 36 36 SER H H 1 8.297 0.02 . 1 . . . . . 34 SER HN . 27071 1 173 . 1 1 36 36 SER C C 13 173.963 0.2 . 1 . . . . . 34 SER C . 27071 1 174 . 1 1 36 36 SER CA C 13 57.924 0.2 . 1 . . . . . 34 SER CA . 27071 1 175 . 1 1 36 36 SER CB C 13 64.406 0.2 . 1 . . . . . 34 SER CB . 27071 1 176 . 1 1 36 36 SER N N 15 117.927 0.2 . 1 . . . . . 34 SER N . 27071 1 177 . 1 1 37 37 ASP H H 1 9.056 0.02 . 1 . . . . . 35 ASP HN . 27071 1 178 . 1 1 37 37 ASP C C 13 178.955 0.2 . 1 . . . . . 35 ASP C . 27071 1 179 . 1 1 37 37 ASP CA C 13 58.381 0.2 . 1 . . . . . 35 ASP CA . 27071 1 180 . 1 1 37 37 ASP CB C 13 39.862 0.2 . 1 . . . . . 35 ASP CB . 27071 1 181 . 1 1 37 37 ASP N N 15 122.162 0.2 . 1 . . . . . 35 ASP N . 27071 1 182 . 1 1 38 38 SER H H 1 8.522 0.02 . 1 . . . . . 36 SER HN . 27071 1 183 . 1 1 38 38 SER C C 13 176.767 0.2 . 1 . . . . . 36 SER C . 27071 1 184 . 1 1 38 38 SER CB C 13 61.805 0.2 . 1 . . . . . 36 SER CB . 27071 1 185 . 1 1 38 38 SER N N 15 114.596 0.2 . 1 . . . . . 36 SER N . 27071 1 186 . 1 1 39 39 PHE H H 1 7.86 0.02 . 1 . . . . . 37 PHE HN . 27071 1 187 . 1 1 39 39 PHE C C 13 177.994 0.2 . 1 . . . . . 37 PHE C . 27071 1 188 . 1 1 39 39 PHE CA C 13 62.468 0.2 . 1 . . . . . 37 PHE CA . 27071 1 189 . 1 1 39 39 PHE CB C 13 39.269 0.2 . 1 . . . . . 37 PHE CB . 27071 1 190 . 1 1 39 39 PHE N N 15 126.775 0.2 . 1 . . . . . 37 PHE N . 27071 1 191 . 1 1 40 40 LEU H H 1 8.892 0.02 . 1 . . . . . 38 LEU HN . 27071 1 192 . 1 1 40 40 LEU C C 13 179.765 0.2 . 1 . . . . . 38 LEU C . 27071 1 193 . 1 1 40 40 LEU CA C 13 58.057 0.2 . 1 . . . . . 38 LEU CA . 27071 1 194 . 1 1 40 40 LEU CB C 13 41.95 0.2 . 1 . . . . . 38 LEU CB . 27071 1 195 . 1 1 40 40 LEU N N 15 121.167 0.2 . 1 . . . . . 38 LEU N . 27071 1 196 . 1 1 41 41 ALA H H 1 8.621 0.02 . 1 . . . . . 39 ALA HN . 27071 1 197 . 1 1 41 41 ALA C C 13 181.971 0.2 . 1 . . . . . 39 ALA C . 27071 1 198 . 1 1 41 41 ALA CA C 13 55.461 0.2 . 1 . . . . . 39 ALA CA . 27071 1 199 . 1 1 41 41 ALA CB C 13 18.109 0.2 . 1 . . . . . 39 ALA CB . 27071 1 200 . 1 1 41 41 ALA N N 15 122.826 0.2 . 1 . . . . . 39 ALA N . 27071 1 201 . 1 1 42 42 GLU H H 1 8.051 0.02 . 1 . . . . . 40 GLU HN . 27071 1 202 . 1 1 42 42 GLU C C 13 177.595 0.2 . 1 . . . . . 40 GLU C . 27071 1 203 . 1 1 42 42 GLU CA C 13 58.936 0.2 . 1 . . . . . 40 GLU CA . 27071 1 204 . 1 1 42 42 GLU CB C 13 29.565 0.2 . 1 . . . . . 40 GLU CB . 27071 1 205 . 1 1 42 42 GLU N N 15 119.775 0.2 . 1 . . . . . 40 GLU N . 27071 1 206 . 1 1 43 43 HIS H H 1 7.122 0.02 . 1 . . . . . 41 HIS HN . 27071 1 207 . 1 1 43 43 HIS C C 13 172.617 0.2 . 1 . . . . . 41 HIS C . 27071 1 208 . 1 1 43 43 HIS CA C 13 57.146 0.2 . 1 . . . . . 41 HIS CA . 27071 1 209 . 1 1 43 43 HIS CB C 13 29.417 0.2 . 1 . . . . . 41 HIS CB . 27071 1 210 . 1 1 43 43 HIS N N 15 113.304 0.2 . 1 . . . . . 41 HIS N . 27071 1 211 . 1 1 44 44 LYS H H 1 7.832 0.02 . 1 . . . . . 42 LYS HN . 27071 1 212 . 1 1 44 44 LYS C C 13 176.746 0.2 . 1 . . . . . 42 LYS C . 27071 1 213 . 1 1 44 44 LYS CA C 13 57.541 0.2 . 1 . . . . . 42 LYS CA . 27071 1 214 . 1 1 44 44 LYS CB C 13 28.442 0.2 . 1 . . . . . 42 LYS CB . 27071 1 215 . 1 1 44 44 LYS N N 15 117.224 0.2 . 1 . . . . . 42 LYS N . 27071 1 216 . 1 1 45 45 LEU H H 1 8.307 0.02 . 1 . . . . . 43 LEU HN . 27071 1 217 . 1 1 45 45 LEU C C 13 175.271 0.2 . 1 . . . . . 43 LEU C . 27071 1 218 . 1 1 45 45 LEU CA C 13 53.701 0.2 . 1 . . . . . 43 LEU CA . 27071 1 219 . 1 1 45 45 LEU CB C 13 44.431 0.2 . 1 . . . . . 43 LEU CB . 27071 1 220 . 1 1 45 45 LEU N N 15 115.908 0.2 . 1 . . . . . 43 LEU N . 27071 1 221 . 1 1 46 46 LEU H H 1 7.431 0.02 . 1 . . . . . 44 LEU HN . 27071 1 222 . 1 1 46 46 LEU C C 13 176.82 0.2 . 1 . . . . . 44 LEU C . 27071 1 223 . 1 1 46 46 LEU CA C 13 54.71 0.2 . 1 . . . . . 44 LEU CA . 27071 1 224 . 1 1 46 46 LEU CB C 13 43.012 0.2 . 1 . . . . . 44 LEU CB . 27071 1 225 . 1 1 46 46 LEU N N 15 119.017 0.2 . 1 . . . . . 44 LEU N . 27071 1 226 . 1 1 47 47 GLY H H 1 8.328 0.02 . 1 . . . . . 45 GLY HN . 27071 1 227 . 1 1 47 47 GLY C C 13 172.812 0.2 . 1 . . . . . 45 GLY C . 27071 1 228 . 1 1 47 47 GLY CA C 13 43.703 0.2 . 1 . . . . . 45 GLY CA . 27071 1 229 . 1 1 47 47 GLY N N 15 109.877 0.2 . 1 . . . . . 45 GLY N . 27071 1 230 . 1 1 48 48 ASN H H 1 8.494 0.02 . 1 . . . . . 46 ASN HN . 27071 1 231 . 1 1 48 48 ASN HD21 H 1 7.799 0.02 . 2 . . . . . 46 ASN HD21 . 27071 1 232 . 1 1 48 48 ASN HD22 H 1 7.024 0.02 . 2 . . . . . 46 ASN HD22 . 27071 1 233 . 1 1 48 48 ASN C C 13 177.491 0.2 . 1 . . . . . 46 ASN C . 27071 1 234 . 1 1 48 48 ASN CA C 13 53.981 0.2 . 1 . . . . . 46 ASN CA . 27071 1 235 . 1 1 48 48 ASN CB C 13 39.369 0.2 . 1 . . . . . 46 ASN CB . 27071 1 236 . 1 1 48 48 ASN N N 15 118.347 0.2 . 1 . . . . . 46 ASN N . 27071 1 237 . 1 1 48 48 ASN ND2 N 15 112.778 0.2 . 1 . . . . . 46 ASN ND2 . 27071 1 238 . 1 1 49 49 ILE H H 1 8.915 0.02 . 1 . . . . . 47 ILE HN . 27071 1 239 . 1 1 49 49 ILE C C 13 176.213 0.2 . 1 . . . . . 47 ILE C . 27071 1 240 . 1 1 49 49 ILE CA C 13 66.137 0.2 . 1 . . . . . 47 ILE CA . 27071 1 241 . 1 1 49 49 ILE CB C 13 38.041 0.2 . 1 . . . . . 47 ILE CB . 27071 1 242 . 1 1 49 49 ILE N N 15 127.019 0.2 . 1 . . . . . 47 ILE N . 27071 1 243 . 1 1 50 50 LYS H H 1 8.184 0.02 . 1 . . . . . 48 LYS HN . 27071 1 244 . 1 1 50 50 LYS C C 13 178.822 0.2 . 1 . . . . . 48 LYS C . 27071 1 245 . 1 1 50 50 LYS CA C 13 59.704 0.2 . 1 . . . . . 48 LYS CA . 27071 1 246 . 1 1 50 50 LYS CB C 13 32.401 0.2 . 1 . . . . . 48 LYS CB . 27071 1 247 . 1 1 50 50 LYS N N 15 119.126 0.2 . 1 . . . . . 48 LYS N . 27071 1 248 . 1 1 51 51 ASN H H 1 7.642 0.02 . 1 . . . . . 49 ASN HN . 27071 1 249 . 1 1 51 51 ASN HD21 H 1 7.763 0.02 . 2 . . . . . 49 ASN HD21 . 27071 1 250 . 1 1 51 51 ASN HD22 H 1 7.004 0.02 . 2 . . . . . 49 ASN HD22 . 27071 1 251 . 1 1 51 51 ASN C C 13 178.039 0.2 . 1 . . . . . 49 ASN C . 27071 1 252 . 1 1 51 51 ASN CA C 13 55.489 0.2 . 1 . . . . . 49 ASN CA . 27071 1 253 . 1 1 51 51 ASN CB C 13 38.553 0.2 . 1 . . . . . 49 ASN CB . 27071 1 254 . 1 1 51 51 ASN N N 15 117.265 0.2 . 1 . . . . . 49 ASN N . 27071 1 255 . 1 1 51 51 ASN ND2 N 15 113.741 0.2 . 1 . . . . . 49 ASN ND2 . 27071 1 256 . 1 1 52 52 VAL H H 1 8.337 0.02 . 1 . . . . . 50 VAL HN . 27071 1 257 . 1 1 52 52 VAL C C 13 178.036 0.2 . 1 . . . . . 50 VAL C . 27071 1 258 . 1 1 52 52 VAL CA C 13 65.611 0.2 . 1 . . . . . 50 VAL CA . 27071 1 259 . 1 1 52 52 VAL CB C 13 32.363 0.2 . 1 . . . . . 50 VAL CB . 27071 1 260 . 1 1 52 52 VAL N N 15 121.61 0.2 . 1 . . . . . 50 VAL N . 27071 1 261 . 1 1 53 53 ALA H H 1 8.492 0.02 . 1 . . . . . 51 ALA HN . 27071 1 262 . 1 1 53 53 ALA C C 13 177.837 0.2 . 1 . . . . . 51 ALA C . 27071 1 263 . 1 1 53 53 ALA CA C 13 55.202 0.2 . 1 . . . . . 51 ALA CA . 27071 1 264 . 1 1 53 53 ALA CB C 13 18.42 0.2 . 1 . . . . . 51 ALA CB . 27071 1 265 . 1 1 53 53 ALA N N 15 119.581 0.2 . 1 . . . . . 51 ALA N . 27071 1 266 . 1 1 54 54 LYS H H 1 7.211 0.02 . 1 . . . . . 52 LYS HN . 27071 1 267 . 1 1 54 54 LYS C C 13 178.401 0.2 . 1 . . . . . 52 LYS C . 27071 1 268 . 1 1 54 54 LYS CA C 13 58.605 0.2 . 1 . . . . . 52 LYS CA . 27071 1 269 . 1 1 54 54 LYS CB C 13 33.219 0.2 . 1 . . . . . 52 LYS CB . 27071 1 270 . 1 1 54 54 LYS N N 15 114.156 0.2 . 1 . . . . . 52 LYS N . 27071 1 271 . 1 1 55 55 THR H H 1 7.415 0.02 . 1 . . . . . 53 THR HN . 27071 1 272 . 1 1 55 55 THR C C 13 174.273 0.2 . 1 . . . . . 53 THR C . 27071 1 273 . 1 1 55 55 THR CA C 13 62.143 0.2 . 1 . . . . . 53 THR CA . 27071 1 274 . 1 1 55 55 THR CB C 13 69.732 0.2 . 1 . . . . . 53 THR CB . 27071 1 275 . 1 1 55 55 THR N N 15 107.177 0.2 . 1 . . . . . 53 THR N . 27071 1 276 . 1 1 56 56 ALA H H 1 7.828 0.02 . 1 . . . . . 54 ALA HN . 27071 1 277 . 1 1 56 56 ALA HA H 1 4.67 0.02 . 1 . . . . . 54 ALA HA . 27071 1 278 . 1 1 56 56 ALA C C 13 175.821 0.2 . 1 . . . . . 54 ALA C . 27071 1 279 . 1 1 56 56 ALA CA C 13 51.515 0.2 . 1 . . . . . 54 ALA CA . 27071 1 280 . 1 1 56 56 ALA CB C 13 19.824 0.2 . 1 . . . . . 54 ALA CB . 27071 1 281 . 1 1 56 56 ALA N N 15 125.807 0.2 . 1 . . . . . 54 ALA N . 27071 1 282 . 1 1 57 57 ASN H H 1 8.455 0.02 . 1 . . . . . 55 ASN HN . 27071 1 283 . 1 1 57 57 ASN HD21 H 1 6.929 0.02 . 2 . . . . . 55 ASN HD21 . 27071 1 284 . 1 1 57 57 ASN HD22 H 1 7.642 0.02 . 2 . . . . . 55 ASN HD22 . 27071 1 285 . 1 1 57 57 ASN CA C 13 51.097 0.2 . 1 . . . . . 55 ASN CA . 27071 1 286 . 1 1 57 57 ASN CB C 13 39.714 0.2 . 1 . . . . . 55 ASN CB . 27071 1 287 . 1 1 57 57 ASN N N 15 119.514 0.2 . 1 . . . . . 55 ASN N . 27071 1 288 . 1 1 57 57 ASN ND2 N 15 112.901 0.2 . 1 . . . . . 55 ASN ND2 . 27071 1 289 . 1 1 58 58 LYS C C 13 177.863 0.2 . 1 . . . . . 56 LYS C . 27071 1 290 . 1 1 59 59 ASP H H 1 8.367 0.02 . 1 . . . . . 57 ASP HN . 27071 1 291 . 1 1 59 59 ASP C C 13 178.889 0.2 . 1 . . . . . 57 ASP C . 27071 1 292 . 1 1 59 59 ASP CA C 13 58.409 0.2 . 1 . . . . . 57 ASP CA . 27071 1 293 . 1 1 59 59 ASP CB C 13 40.178 0.2 . 1 . . . . . 57 ASP CB . 27071 1 294 . 1 1 59 59 ASP N N 15 118.602 0.2 . 1 . . . . . 57 ASP N . 27071 1 295 . 1 1 60 60 HIS H H 1 8.067 0.02 . 1 . . . . . 58 HIS HN . 27071 1 296 . 1 1 60 60 HIS C C 13 178.397 0.2 . 1 . . . . . 58 HIS C . 27071 1 297 . 1 1 60 60 HIS CA C 13 59.23 0.2 . 1 . . . . . 58 HIS CA . 27071 1 298 . 1 1 60 60 HIS CB C 13 31.467 0.2 . 1 . . . . . 58 HIS CB . 27071 1 299 . 1 1 60 60 HIS N N 15 119.675 0.2 . 1 . . . . . 58 HIS N . 27071 1 300 . 1 1 61 61 LEU H H 1 7.915 0.02 . 1 . . . . . 59 LEU HN . 27071 1 301 . 1 1 61 61 LEU C C 13 178.198 0.2 . 1 . . . . . 59 LEU C . 27071 1 302 . 1 1 61 61 LEU CA C 13 57.505 0.2 . 1 . . . . . 59 LEU CA . 27071 1 303 . 1 1 61 61 LEU CB C 13 41.326 0.2 . 1 . . . . . 59 LEU CB . 27071 1 304 . 1 1 61 61 LEU N N 15 118.657 0.2 . 1 . . . . . 59 LEU N . 27071 1 305 . 1 1 62 62 VAL H H 1 8.709 0.02 . 1 . . . . . 60 VAL HN . 27071 1 306 . 1 1 62 62 VAL C C 13 177.636 0.2 . 1 . . . . . 60 VAL C . 27071 1 307 . 1 1 62 62 VAL CA C 13 67.375 0.2 . 1 . . . . . 60 VAL CA . 27071 1 308 . 1 1 62 62 VAL CB C 13 31.915 0.2 . 1 . . . . . 60 VAL CB . 27071 1 309 . 1 1 62 62 VAL N N 15 121.056 0.2 . 1 . . . . . 60 VAL N . 27071 1 310 . 1 1 63 63 THR H H 1 7.829 0.02 . 1 . . . . . 61 THR HN . 27071 1 311 . 1 1 63 63 THR C C 13 176.368 0.2 . 1 . . . . . 61 THR C . 27071 1 312 . 1 1 63 63 THR CA C 13 66.86 0.2 . 1 . . . . . 61 THR CA . 27071 1 313 . 1 1 63 63 THR CB C 13 67.977 0.2 . 1 . . . . . 61 THR CB . 27071 1 314 . 1 1 63 63 THR N N 15 115.68 0.2 . 1 . . . . . 61 THR N . 27071 1 315 . 1 1 64 64 ALA H H 1 8.216 0.02 . 1 . . . . . 62 ALA HN . 27071 1 316 . 1 1 64 64 ALA C C 13 178.147 0.2 . 1 . . . . . 62 ALA C . 27071 1 317 . 1 1 64 64 ALA CA C 13 55.595 0.2 . 1 . . . . . 62 ALA CA . 27071 1 318 . 1 1 64 64 ALA CB C 13 18.894 0.2 . 1 . . . . . 62 ALA CB . 27071 1 319 . 1 1 64 64 ALA N N 15 122.943 0.2 . 1 . . . . . 62 ALA N . 27071 1 320 . 1 1 65 65 TYR H H 1 8.783 0.02 . 1 . . . . . 63 TYR HN . 27071 1 321 . 1 1 65 65 TYR C C 13 176.794 0.2 . 1 . . . . . 63 TYR C . 27071 1 322 . 1 1 65 65 TYR CA C 13 63.014 0.2 . 1 . . . . . 63 TYR CA . 27071 1 323 . 1 1 65 65 TYR CB C 13 39.333 0.2 . 1 . . . . . 63 TYR CB . 27071 1 324 . 1 1 65 65 TYR N N 15 120.039 0.2 . 1 . . . . . 63 TYR N . 27071 1 325 . 1 1 66 66 ASN H H 1 8.627 0.02 . 1 . . . . . 64 ASN HN . 27071 1 326 . 1 1 66 66 ASN HD21 H 1 7.749 0.02 . 2 . . . . . 64 ASN HD21 . 27071 1 327 . 1 1 66 66 ASN HD22 H 1 5.99 0.02 . 2 . . . . . 64 ASN HD22 . 27071 1 328 . 1 1 66 66 ASN C C 13 178.951 0.2 . 1 . . . . . 64 ASN C . 27071 1 329 . 1 1 66 66 ASN CA C 13 56.5 0.2 . 1 . . . . . 64 ASN CA . 27071 1 330 . 1 1 66 66 ASN CB C 13 37.353 0.2 . 1 . . . . . 64 ASN CB . 27071 1 331 . 1 1 66 66 ASN N N 15 116.386 0.2 . 1 . . . . . 64 ASN N . 27071 1 332 . 1 1 66 66 ASN ND2 N 15 110.1 0.2 . 1 . . . . . 64 ASN ND2 . 27071 1 333 . 1 1 67 67 HIS H H 1 8.993 0.02 . 1 . . . . . 65 HIS HN . 27071 1 334 . 1 1 67 67 HIS C C 13 178.49 0.2 . 1 . . . . . 65 HIS C . 27071 1 335 . 1 1 67 67 HIS CA C 13 58.221 0.2 . 1 . . . . . 65 HIS CA . 27071 1 336 . 1 1 67 67 HIS CB C 13 30.316 0.2 . 1 . . . . . 65 HIS CB . 27071 1 337 . 1 1 67 67 HIS N N 15 119.33 0.2 . 1 . . . . . 65 HIS N . 27071 1 338 . 1 1 68 68 LEU H H 1 8.593 0.02 . 1 . . . . . 66 LEU HN . 27071 1 339 . 1 1 68 68 LEU C C 13 177.069 0.2 . 1 . . . . . 66 LEU C . 27071 1 340 . 1 1 68 68 LEU CA C 13 58.622 0.2 . 1 . . . . . 66 LEU CA . 27071 1 341 . 1 1 68 68 LEU CB C 13 39.488 0.2 . 1 . . . . . 66 LEU CB . 27071 1 342 . 1 1 68 68 LEU N N 15 124.278 0.2 . 1 . . . . . 66 LEU N . 27071 1 343 . 1 1 69 69 PHE H H 1 6.966 0.02 . 1 . . . . . 67 PHE HN . 27071 1 344 . 1 1 69 69 PHE C C 13 177.901 0.2 . 1 . . . . . 67 PHE C . 27071 1 345 . 1 1 69 69 PHE CA C 13 62.777 0.2 . 1 . . . . . 67 PHE CA . 27071 1 346 . 1 1 69 69 PHE CB C 13 39.493 0.2 . 1 . . . . . 67 PHE CB . 27071 1 347 . 1 1 69 69 PHE N N 15 113.323 0.2 . 1 . . . . . 67 PHE N . 27071 1 348 . 1 1 70 70 GLU H H 1 8.419 0.02 . 1 . . . . . 68 GLU HN . 27071 1 349 . 1 1 70 70 GLU HA H 1 4.19 0.02 . 1 . . . . . 68 GLU HA . 27071 1 350 . 1 1 70 70 GLU C C 13 178.595 0.2 . 1 . . . . . 68 GLU C . 27071 1 351 . 1 1 70 70 GLU CA C 13 59.12 0.2 . 1 . . . . . 68 GLU CA . 27071 1 352 . 1 1 70 70 GLU CB C 13 30.582 0.2 . 1 . . . . . 68 GLU CB . 27071 1 353 . 1 1 70 70 GLU N N 15 119.591 0.2 . 1 . . . . . 68 GLU N . 27071 1 354 . 1 1 71 71 THR H H 1 7.9 0.02 . 1 . . . . . 69 THR HN . 27071 1 355 . 1 1 71 71 THR C C 13 174.99 0.2 . 1 . . . . . 69 THR C . 27071 1 356 . 1 1 71 71 THR CA C 13 62.567 0.2 . 1 . . . . . 69 THR CA . 27071 1 357 . 1 1 71 71 THR CB C 13 71.061 0.2 . 1 . . . . . 69 THR CB . 27071 1 358 . 1 1 71 71 THR N N 15 106.077 0.2 . 1 . . . . . 69 THR N . 27071 1 359 . 1 1 72 72 LYS H H 1 7.685 0.02 . 1 . . . . . 70 LYS HN . 27071 1 360 . 1 1 72 72 LYS C C 13 176.833 0.2 . 1 . . . . . 70 LYS C . 27071 1 361 . 1 1 72 72 LYS CA C 13 57.138 0.2 . 1 . . . . . 70 LYS CA . 27071 1 362 . 1 1 72 72 LYS CB C 13 28.793 0.2 . 1 . . . . . 70 LYS CB . 27071 1 363 . 1 1 72 72 LYS N N 15 117.745 0.2 . 1 . . . . . 70 LYS N . 27071 1 364 . 1 1 73 73 ARG H H 1 6.326 0.02 . 1 . . . . . 71 ARG HN . 27071 1 365 . 1 1 73 73 ARG C C 13 174.63 0.2 . 1 . . . . . 71 ARG C . 27071 1 366 . 1 1 73 73 ARG CB C 13 28.671 0.2 . 1 . . . . . 71 ARG CB . 27071 1 367 . 1 1 73 73 ARG N N 15 121.961 0.2 . 1 . . . . . 71 ARG N . 27071 1 368 . 1 1 74 74 PHE H H 1 7.141 0.02 . 1 . . . . . 72 PHE HN . 27071 1 369 . 1 1 74 74 PHE C C 13 177.09 0.2 . 1 . . . . . 72 PHE C . 27071 1 370 . 1 1 74 74 PHE CA C 13 56.367 0.2 . 1 . . . . . 72 PHE CA . 27071 1 371 . 1 1 74 74 PHE CB C 13 40.608 0.2 . 1 . . . . . 72 PHE CB . 27071 1 372 . 1 1 74 74 PHE N N 15 117.919 0.2 . 1 . . . . . 72 PHE N . 27071 1 373 . 1 1 75 75 LYS H H 1 7.936 0.02 . 1 . . . . . 73 LYS HN . 27071 1 374 . 1 1 75 75 LYS C C 13 175.594 0.2 . 1 . . . . . 73 LYS C . 27071 1 375 . 1 1 75 75 LYS CA C 13 57.189 0.2 . 1 . . . . . 73 LYS CA . 27071 1 376 . 1 1 75 75 LYS CB C 13 33.488 0.2 . 1 . . . . . 73 LYS CB . 27071 1 377 . 1 1 75 75 LYS N N 15 121.894 0.2 . 1 . . . . . 73 LYS N . 27071 1 378 . 1 1 76 76 GLY H H 1 8.02 0.02 . 1 . . . . . 74 GLY HN . 27071 1 379 . 1 1 76 76 GLY CA C 13 46.179 0.2 . 1 . . . . . 74 GLY CA . 27071 1 380 . 1 1 76 76 GLY N N 15 117.34 0.2 . 1 . . . . . 74 GLY N . 27071 1 stop_ save_