data_51802 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51802 _Entry.Title ; Backbone assignment of DnaK C-terminal alpha-helical lid with C-IDR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-01-24 _Entry.Accession_date 2023-01-24 _Entry.Last_release_date 2023-01-24 _Entry.Original_release_date 2023-01-24 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Qihui Liang . . . . 51802 2 Weibin Gong . . . . 51802 3 Sarah Perrett . . . . 51802 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51802 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 316 51802 '15N chemical shifts' 105 51802 '1H chemical shifts' 105 51802 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 . . 2023-08-31 . original BMRB . 51802 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51802 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36524733 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Reversible Redox-Dependent Conformational Switch of the C-Terminal a-Helical Lid of Human Hsp70 Observed by In-Cell NMR ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'ACS Chem. Biol.' _Citation.Journal_name_full 'ACS chemical biology' _Citation.Journal_volume 18 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1554-8937 _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 176 _Citation.Page_last 183 _Citation.Year 2023 _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 Qihui Liang Q. . . . 51802 1 2 Yiying Zhang Y. . . . 51802 1 3 Hong Zhang H. . . . 51802 1 4 Si Wu S. . . . 51802 1 5 Weibin Gong W. . . . 51802 1 6 Sarah Perrett S. . . . 51802 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51802 _Assembly.ID 1 _Assembly.Name DnaK(532-638) _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 DnaK(532-638) 1 $entity_1 . . yes native no no . . . 51802 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51802 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; LVQTRNQGDHLLHSTRKQVE EAGDKLPADDKTAIESALTA LETALKGEDKAAIEAKMQEL AQVSQKLMEIAQQQHAQQQT AGADASANNAKDDDVVDAEF EEVKDKK ; _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 107 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 P0A6Y8 . DNAK_ECOLI . . . . . . . . . . . . . . 51802 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID chaperone 51802 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 . LEU . 51802 1 2 . VAL . 51802 1 3 . GLN . 51802 1 4 . THR . 51802 1 5 . ARG . 51802 1 6 . ASN . 51802 1 7 . GLN . 51802 1 8 . GLY . 51802 1 9 . ASP . 51802 1 10 . HIS . 51802 1 11 . LEU . 51802 1 12 . LEU . 51802 1 13 . HIS . 51802 1 14 . SER . 51802 1 15 . THR . 51802 1 16 . ARG . 51802 1 17 . LYS . 51802 1 18 . GLN . 51802 1 19 . VAL . 51802 1 20 . GLU . 51802 1 21 . GLU . 51802 1 22 . ALA . 51802 1 23 . GLY . 51802 1 24 . ASP . 51802 1 25 . LYS . 51802 1 26 . LEU . 51802 1 27 . PRO . 51802 1 28 . ALA . 51802 1 29 . ASP . 51802 1 30 . ASP . 51802 1 31 . LYS . 51802 1 32 . THR . 51802 1 33 . ALA . 51802 1 34 . ILE . 51802 1 35 . GLU . 51802 1 36 . SER . 51802 1 37 . ALA . 51802 1 38 . LEU . 51802 1 39 . THR . 51802 1 40 . ALA . 51802 1 41 . LEU . 51802 1 42 . GLU . 51802 1 43 . THR . 51802 1 44 . ALA . 51802 1 45 . LEU . 51802 1 46 . LYS . 51802 1 47 . GLY . 51802 1 48 . GLU . 51802 1 49 . ASP . 51802 1 50 . LYS . 51802 1 51 . ALA . 51802 1 52 . ALA . 51802 1 53 . ILE . 51802 1 54 . GLU . 51802 1 55 . ALA . 51802 1 56 . LYS . 51802 1 57 . MET . 51802 1 58 . GLN . 51802 1 59 . GLU . 51802 1 60 . LEU . 51802 1 61 . ALA . 51802 1 62 . GLN . 51802 1 63 . VAL . 51802 1 64 . SER . 51802 1 65 . GLN . 51802 1 66 . LYS . 51802 1 67 . LEU . 51802 1 68 . MET . 51802 1 69 . GLU . 51802 1 70 . ILE . 51802 1 71 . ALA . 51802 1 72 . GLN . 51802 1 73 . GLN . 51802 1 74 . GLN . 51802 1 75 . HIS . 51802 1 76 . ALA . 51802 1 77 . GLN . 51802 1 78 . GLN . 51802 1 79 . GLN . 51802 1 80 . THR . 51802 1 81 . ALA . 51802 1 82 . GLY . 51802 1 83 . ALA . 51802 1 84 . ASP . 51802 1 85 . ALA . 51802 1 86 . SER . 51802 1 87 . ALA . 51802 1 88 . ASN . 51802 1 89 . ASN . 51802 1 90 . ALA . 51802 1 91 . LYS . 51802 1 92 . ASP . 51802 1 93 . ASP . 51802 1 94 . ASP . 51802 1 95 . VAL . 51802 1 96 . VAL . 51802 1 97 . ASP . 51802 1 98 . ALA . 51802 1 99 . GLU . 51802 1 100 . PHE . 51802 1 101 . GLU . 51802 1 102 . GLU . 51802 1 103 . VAL . 51802 1 104 . LYS . 51802 1 105 . ASP . 51802 1 106 . LYS . 51802 1 107 . LYS . 51802 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 . LEU 1 1 51802 1 . VAL 2 2 51802 1 . GLN 3 3 51802 1 . THR 4 4 51802 1 . ARG 5 5 51802 1 . ASN 6 6 51802 1 . GLN 7 7 51802 1 . GLY 8 8 51802 1 . ASP 9 9 51802 1 . HIS 10 10 51802 1 . LEU 11 11 51802 1 . LEU 12 12 51802 1 . HIS 13 13 51802 1 . SER 14 14 51802 1 . THR 15 15 51802 1 . ARG 16 16 51802 1 . LYS 17 17 51802 1 . GLN 18 18 51802 1 . VAL 19 19 51802 1 . GLU 20 20 51802 1 . GLU 21 21 51802 1 . ALA 22 22 51802 1 . GLY 23 23 51802 1 . ASP 24 24 51802 1 . LYS 25 25 51802 1 . LEU 26 26 51802 1 . PRO 27 27 51802 1 . ALA 28 28 51802 1 . ASP 29 29 51802 1 . ASP 30 30 51802 1 . LYS 31 31 51802 1 . THR 32 32 51802 1 . ALA 33 33 51802 1 . ILE 34 34 51802 1 . GLU 35 35 51802 1 . SER 36 36 51802 1 . ALA 37 37 51802 1 . LEU 38 38 51802 1 . THR 39 39 51802 1 . ALA 40 40 51802 1 . LEU 41 41 51802 1 . GLU 42 42 51802 1 . THR 43 43 51802 1 . ALA 44 44 51802 1 . LEU 45 45 51802 1 . LYS 46 46 51802 1 . GLY 47 47 51802 1 . GLU 48 48 51802 1 . ASP 49 49 51802 1 . LYS 50 50 51802 1 . ALA 51 51 51802 1 . ALA 52 52 51802 1 . ILE 53 53 51802 1 . GLU 54 54 51802 1 . ALA 55 55 51802 1 . LYS 56 56 51802 1 . MET 57 57 51802 1 . GLN 58 58 51802 1 . GLU 59 59 51802 1 . LEU 60 60 51802 1 . ALA 61 61 51802 1 . GLN 62 62 51802 1 . VAL 63 63 51802 1 . SER 64 64 51802 1 . GLN 65 65 51802 1 . LYS 66 66 51802 1 . LEU 67 67 51802 1 . MET 68 68 51802 1 . GLU 69 69 51802 1 . ILE 70 70 51802 1 . ALA 71 71 51802 1 . GLN 72 72 51802 1 . GLN 73 73 51802 1 . GLN 74 74 51802 1 . HIS 75 75 51802 1 . ALA 76 76 51802 1 . GLN 77 77 51802 1 . GLN 78 78 51802 1 . GLN 79 79 51802 1 . THR 80 80 51802 1 . ALA 81 81 51802 1 . GLY 82 82 51802 1 . ALA 83 83 51802 1 . ASP 84 84 51802 1 . ALA 85 85 51802 1 . SER 86 86 51802 1 . ALA 87 87 51802 1 . ASN 88 88 51802 1 . ASN 89 89 51802 1 . ALA 90 90 51802 1 . LYS 91 91 51802 1 . ASP 92 92 51802 1 . ASP 93 93 51802 1 . ASP 94 94 51802 1 . VAL 95 95 51802 1 . VAL 96 96 51802 1 . ASP 97 97 51802 1 . ALA 98 98 51802 1 . GLU 99 99 51802 1 . PHE 100 100 51802 1 . GLU 101 101 51802 1 . GLU 102 102 51802 1 . VAL 103 103 51802 1 . LYS 104 104 51802 1 . ASP 105 105 51802 1 . LYS 106 106 51802 1 . LYS 107 107 51802 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51802 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 51802 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51802 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . 'N-SMT3 tagged pET28a' . . . 51802 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51802 _Sample.ID 1 _Sample.Name 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DnaK(532-638) '[U-95% 13C; U-90% 15N]' . . 1 $entity_1 . . 0.8 . . mM . . . . 51802 1 2 'Na2HPO4 - NaH2PO4' 'natural abundance' . . . . . . 25 . . mM . . . . 51802 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 51802 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 51802 _Sample_condition_list.ID 1 _Sample_condition_list.Name A _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' 0.1 . M 51802 1 pH 7.0 . pH 51802 1 pressure 1.0 . atm 51802 1 temperature 298 . K 51802 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51802 _Software.ID 1 _Software.Type . _Software.Name 'NMRPipe, NMRViewJ' _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51802 1 processing . 51802 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51802 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Varian 600 MHz DD2 spectrometer' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model DD2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51802 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51802 1 2 '3D CBCACONH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51802 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51802 1 4 '3D HNCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51802 1 5 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51802 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51802 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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 carbon' . . . . ppm 0 internal direct 1 . . . . . 51802 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 51802 1 N 15 DSS nitrogen . . . . ppm 0 internal direct 1 . . . . . 51802 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51802 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name DnaK(532-638) _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D CBCACONH' . . . 51802 1 3 '3D HNCACB' . . . 51802 1 4 '3D HNCACO' . . . 51802 1 5 '3D HNCO' . . . 51802 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51802 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 LEU C C 13 177.7089 . . 1 . . 39213 . . 1 LEU C . 51802 1 2 . 1 . 1 1 1 LEU CA C 13 58.2709 . . 1 . . 36441 . . 1 LEU CA . 51802 1 3 . 1 . 1 1 1 LEU CB C 13 41.4909 . . 1 . . 36477 . . 1 LEU CB . 51802 1 4 . 1 . 1 2 2 VAL H H 1 8.0485 . . 1 . . 36476 . . 2 VAL HN . 51802 1 5 . 1 . 1 2 2 VAL C C 13 177.8314 . . 1 . . 41706 . . 2 VAL C . 51802 1 6 . 1 . 1 2 2 VAL CA C 13 66.2421 . . 1 . . 41704 . . 2 VAL CA . 51802 1 7 . 1 . 1 2 2 VAL CB C 13 31.8999 . . 1 . . 41705 . . 2 VAL CB . 51802 1 8 . 1 . 1 2 2 VAL N N 15 117.5103 . . 1 . . 36478 . . 2 VAL N . 51802 1 9 . 1 . 1 3 3 GLN H H 1 7.7105 . . 1 . . 41603 . . 3 GLN HN . 51802 1 10 . 1 . 1 3 3 GLN C C 13 178.8102 . . 1 . . 40731 . . 3 GLN C . 51802 1 11 . 1 . 1 3 3 GLN CA C 13 59.0108 . . 1 . . 40713 . . 3 GLN CA . 51802 1 12 . 1 . 1 3 3 GLN CB C 13 28.4497 . . 1 . . 40710 . . 3 GLN CB . 51802 1 13 . 1 . 1 3 3 GLN N N 15 119.6727 . . 1 . . 41605 . . 3 GLN N . 51802 1 14 . 1 . 1 4 4 THR H H 1 8.2213 . . 1 . . 40709 . . 4 THR HN . 51802 1 15 . 1 . 1 4 4 THR C C 13 176.2117 . . 1 . . 40734 . . 4 THR C . 51802 1 16 . 1 . 1 4 4 THR CA C 13 67.7001 . . 1 . . 40716 . . 4 THR CA . 51802 1 17 . 1 . 1 4 4 THR CB C 13 68.9144 . . 1 . . 40719 . . 4 THR CB . 51802 1 18 . 1 . 1 4 4 THR N N 15 118.5493 . . 1 . . 40711 . . 4 THR N . 51802 1 19 . 1 . 1 5 5 ARG H H 1 8.9615 . . 1 . . 38210 . . 5 ARG HN . 51802 1 20 . 1 . 1 5 5 ARG C C 13 177.8421 . . 1 . . 41682 . . 5 ARG C . 51802 1 21 . 1 . 1 5 5 ARG CA C 13 59.8857 . . 1 . . 37599 . . 5 ARG CA . 51802 1 22 . 1 . 1 5 5 ARG CB C 13 30.0743 . . 1 . . 41681 . . 5 ARG CB . 51802 1 23 . 1 . 1 5 5 ARG N N 15 121.2279 . . 1 . . 38212 . . 5 ARG N . 51802 1 24 . 1 . 1 6 6 ASN H H 1 8.1324 . . 1 . . 36497 . . 6 ASN HN . 51802 1 25 . 1 . 1 6 6 ASN C C 13 178.5060 . . 1 . . 37005 . . 6 ASN C . 51802 1 26 . 1 . 1 6 6 ASN CA C 13 56.3934 . . 1 . . 37851 . . 6 ASN CA . 51802 1 27 . 1 . 1 6 6 ASN CB C 13 38.0762 . . 1 . . 41678 . . 6 ASN CB . 51802 1 28 . 1 . 1 6 6 ASN N N 15 117.6596 . . 1 . . 36499 . . 6 ASN N . 51802 1 29 . 1 . 1 7 7 GLN H H 1 8.2037 . . 1 . . 36281 . . 7 GLN HN . 51802 1 30 . 1 . 1 7 7 GLN C C 13 179.7833 . . 1 . . 41676 . . 7 GLN C . 51802 1 31 . 1 . 1 7 7 GLN CA C 13 58.9562 . . 1 . . 41674 . . 7 GLN CA . 51802 1 32 . 1 . 1 7 7 GLN CB C 13 28.4649 . . 1 . . 41675 . . 7 GLN CB . 51802 1 33 . 1 . 1 7 7 GLN N N 15 120.4470 . . 1 . . 36283 . . 7 GLN N . 51802 1 34 . 1 . 1 8 8 GLY H H 1 9.0534 . . 1 . . 36644 . . 8 GLY HN . 51802 1 35 . 1 . 1 8 8 GLY C C 13 174.3968 . . 1 . . 41673 . . 8 GLY C . 51802 1 36 . 1 . 1 8 8 GLY CA C 13 48.5768 . . 1 . . 41672 . . 8 GLY CA . 51802 1 37 . 1 . 1 8 8 GLY N N 15 110.4201 . . 1 . . 36646 . . 8 GLY N . 51802 1 38 . 1 . 1 9 9 ASP H H 1 9.0467 . . 1 . . 36092 . . 9 ASP HN . 51802 1 39 . 1 . 1 9 9 ASP C C 13 178.6932 . . 1 . . 41697 . . 9 ASP C . 51802 1 40 . 1 . 1 9 9 ASP CA C 13 57.8226 . . 1 . . 37422 . . 9 ASP CA . 51802 1 41 . 1 . 1 9 9 ASP CB C 13 41.7301 . . 1 . . 37461 . . 9 ASP CB . 51802 1 42 . 1 . 1 9 9 ASP N N 15 123.8602 . . 1 . . 36094 . . 9 ASP N . 51802 1 43 . 1 . 1 10 10 HIS H H 1 7.9175 . . 1 . . 36479 . . 10 HIS HN . 51802 1 44 . 1 . 1 10 10 HIS C C 13 178.5223 . . 1 . . 41668 . . 10 HIS C . 51802 1 45 . 1 . 1 10 10 HIS CA C 13 60.0039 . . 1 . . 41666 . . 10 HIS CA . 51802 1 46 . 1 . 1 10 10 HIS CB C 13 29.8488 . . 1 . . 41667 . . 10 HIS CB . 51802 1 47 . 1 . 1 10 10 HIS N N 15 118.1170 . . 1 . . 36481 . . 10 HIS N . 51802 1 48 . 1 . 1 11 11 LEU H H 1 8.1344 . . 1 . . 36203 . . 11 LEU HN . 51802 1 49 . 1 . 1 11 11 LEU C C 13 179.6793 . . 1 . . 36855 . . 11 LEU C . 51802 1 50 . 1 . 1 11 11 LEU CA C 13 57.6982 . . 1 . . 37521 . . 11 LEU CA . 51802 1 51 . 1 . 1 11 11 LEU CB C 13 42.0548 . . 1 . . 41664 . . 11 LEU CB . 51802 1 52 . 1 . 1 11 11 LEU N N 15 122.0982 . . 1 . . 36205 . . 11 LEU N . 51802 1 53 . 1 . 1 12 12 LEU H H 1 8.6444 . . 1 . . 36071 . . 12 LEU HN . 51802 1 54 . 1 . 1 12 12 LEU C C 13 177.7639 . . 1 . . 41662 . . 12 LEU C . 51802 1 55 . 1 . 1 12 12 LEU CA C 13 58.8631 . . 1 . . 41660 . . 12 LEU CA . 51802 1 56 . 1 . 1 12 12 LEU CB C 13 42.5774 . . 1 . . 41661 . . 12 LEU CB . 51802 1 57 . 1 . 1 12 12 LEU N N 15 123.5567 . . 1 . . 36073 . . 12 LEU N . 51802 1 58 . 1 . 1 13 13 HIS H H 1 7.9397 . . 1 . . 36536 . . 13 HIS HN . 51802 1 59 . 1 . 1 13 13 HIS C C 13 178.9584 . . 1 . . 37047 . . 13 HIS C . 51802 1 60 . 1 . 1 13 13 HIS CA C 13 60.1355 . . 1 . . 37926 . . 13 HIS CA . 51802 1 61 . 1 . 1 13 13 HIS CB C 13 30.0385 . . 1 . . 41658 . . 13 HIS CB . 51802 1 62 . 1 . 1 13 13 HIS N N 15 115.8853 . . 1 . . 36538 . . 13 HIS N . 51802 1 63 . 1 . 1 14 14 SER H H 1 8.6780 . . 1 . . 36542 . . 14 SER HN . 51802 1 64 . 1 . 1 14 14 SER C C 13 177.4402 . . 1 . . 41656 . . 14 SER C . 51802 1 65 . 1 . 1 14 14 SER CA C 13 61.4168 . . 1 . . 41654 . . 14 SER CA . 51802 1 66 . 1 . 1 14 14 SER CB C 13 62.6377 . . 1 . . 36330 . . 14 SER CB . 51802 1 67 . 1 . 1 14 14 SER N N 15 115.4884 . . 1 . . 36544 . . 14 SER N . 51802 1 68 . 1 . 1 15 15 THR H H 1 8.2335 . . 1 . . 36329 . . 15 THR HN . 51802 1 69 . 1 . 1 15 15 THR CA C 13 67.0678 . . 1 . . 41653 . . 15 THR CA . 51802 1 70 . 1 . 1 15 15 THR CB C 13 67.6414 . . 1 . . 41702 . . 15 THR CB . 51802 1 71 . 1 . 1 15 15 THR N N 15 119.3901 . . 1 . . 36331 . . 15 THR N . 51802 1 72 . 1 . 1 16 16 ARG H H 1 8.1508 . . 1 . . 36218 . . 16 ARG HN . 51802 1 73 . 1 . 1 16 16 ARG C C 13 178.8314 . . 1 . . 40789 . . 16 ARG C . 51802 1 74 . 1 . 1 16 16 ARG CA C 13 60.9962 . . 1 . . 40787 . . 16 ARG CA . 51802 1 75 . 1 . 1 16 16 ARG CB C 13 29.6994 . . 1 . . 41333 . . 16 ARG CB . 51802 1 76 . 1 . 1 16 16 ARG N N 15 121.4645 . . 1 . . 36220 . . 16 ARG N . 51802 1 77 . 1 . 1 17 17 LYS H H 1 7.6363 . . 1 . . 36344 . . 17 LYS HN . 51802 1 78 . 1 . 1 17 17 LYS C C 13 178.3888 . . 1 . . 41649 . . 17 LYS C . 51802 1 79 . 1 . 1 17 17 LYS CA C 13 59.0689 . . 1 . . 41647 . . 17 LYS CA . 51802 1 80 . 1 . 1 17 17 LYS CB C 13 31.9145 . . 1 . . 38328 . . 17 LYS CB . 51802 1 81 . 1 . 1 17 17 LYS N N 15 119.3108 . . 1 . . 36346 . . 17 LYS N . 51802 1 82 . 1 . 1 18 18 GLN H H 1 7.7598 . . 1 . . 36446 . . 18 GLN HN . 51802 1 83 . 1 . 1 18 18 GLN C C 13 179.5606 . . 1 . . 37137 . . 18 GLN C . 51802 1 84 . 1 . 1 18 18 GLN CA C 13 59.0383 . . 1 . . 41644 . . 18 GLN CA . 51802 1 85 . 1 . 1 18 18 GLN CB C 13 29.1983 . . 1 . . 37905 . . 18 GLN CB . 51802 1 86 . 1 . 1 18 18 GLN N N 15 118.1508 . . 1 . . 36448 . . 18 GLN N . 51802 1 87 . 1 . 1 19 19 VAL H H 1 8.5348 . . 1 . . 36302 . . 19 VAL HN . 51802 1 88 . 1 . 1 19 19 VAL C C 13 178.5069 . . 1 . . 41643 . . 19 VAL C . 51802 1 89 . 1 . 1 19 19 VAL CA C 13 67.0630 . . 1 . . 41641 . . 19 VAL CA . 51802 1 90 . 1 . 1 19 19 VAL CB C 13 31.8591 . . 1 . . 37671 . . 19 VAL CB . 51802 1 91 . 1 . 1 19 19 VAL N N 15 121.0250 . . 1 . . 36304 . . 19 VAL N . 51802 1 92 . 1 . 1 20 20 GLU H H 1 7.8632 . . 1 . . 36293 . . 20 GLU HN . 51802 1 93 . 1 . 1 20 20 GLU C C 13 179.6727 . . 1 . . 41640 . . 20 GLU C . 51802 1 94 . 1 . 1 20 20 GLU CA C 13 59.1831 . . 1 . . 41638 . . 20 GLU CA . 51802 1 95 . 1 . 1 20 20 GLU CB C 13 29.4348 . . 1 . . 36495 . . 20 GLU CB . 51802 1 96 . 1 . 1 20 20 GLU N N 15 120.9703 . . 1 . . 36295 . . 20 GLU N . 51802 1 97 . 1 . 1 21 21 GLU H H 1 8.2350 . . 1 . . 36704 . . 21 GLU HN . 51802 1 98 . 1 . 1 21 21 GLU C C 13 178.1040 . . 1 . . 37275 . . 21 GLU C . 51802 1 99 . 1 . 1 21 21 GLU CA C 13 58.5482 . . 1 . . 41635 . . 21 GLU CA . 51802 1 100 . 1 . 1 21 21 GLU CB C 13 29.7875 . . 1 . . 37896 . . 21 GLU CB . 51802 1 101 . 1 . 1 21 21 GLU N N 15 118.1303 . . 1 . . 36706 . . 21 GLU N . 51802 1 102 . 1 . 1 22 22 ALA H H 1 8.0517 . . 1 . . 36230 . . 22 ALA HN . 51802 1 103 . 1 . 1 22 22 ALA C C 13 179.3519 . . 1 . . 36891 . . 22 ALA C . 51802 1 104 . 1 . 1 22 22 ALA CA C 13 53.9152 . . 1 . . 37644 . . 22 ALA CA . 51802 1 105 . 1 . 1 22 22 ALA CB C 13 19.4186 . . 1 . . 41633 . . 22 ALA CB . 51802 1 106 . 1 . 1 22 22 ALA N N 15 120.6021 . . 1 . . 36232 . . 22 ALA N . 51802 1 107 . 1 . 1 23 23 GLY H H 1 7.5003 . . 1 . . 36677 . . 23 GLY HN . 51802 1 108 . 1 . 1 23 23 GLY C C 13 175.9344 . . 1 . . 41630 . . 23 GLY C . 51802 1 109 . 1 . 1 23 23 GLY CA C 13 46.9763 . . 1 . . 38058 . . 23 GLY CA . 51802 1 110 . 1 . 1 23 23 GLY N N 15 104.2152 . . 1 . . 36679 . . 23 GLY N . 51802 1 111 . 1 . 1 24 24 ASP H H 1 8.7993 . . 1 . . 36095 . . 24 ASP HN . 51802 1 112 . 1 . 1 24 24 ASP C C 13 176.7685 . . 1 . . 41631 . . 24 ASP C . 51802 1 113 . 1 . 1 24 24 ASP CA C 13 55.0733 . . 1 . . 41628 . . 24 ASP CA . 51802 1 114 . 1 . 1 24 24 ASP CB C 13 39.9802 . . 1 . . 38100 . . 24 ASP CB . 51802 1 115 . 1 . 1 24 24 ASP N N 15 124.3017 . . 1 . . 36097 . . 24 ASP N . 51802 1 116 . 1 . 1 25 25 LYS H H 1 7.9270 . . 1 . . 36452 . . 25 LYS HN . 51802 1 117 . 1 . 1 25 25 LYS C C 13 176.8902 . . 1 . . 41626 . . 25 LYS C . 51802 1 118 . 1 . 1 25 25 LYS CA C 13 57.3628 . . 1 . . 37854 . . 25 LYS CA . 51802 1 119 . 1 . 1 25 25 LYS CB C 13 32.8821 . . 1 . . 37890 . . 25 LYS CB . 51802 1 120 . 1 . 1 25 25 LYS N N 15 117.7550 . . 1 . . 36454 . . 25 LYS N . 51802 1 121 . 1 . 1 26 26 LEU H H 1 7.1725 . . 1 . . 36299 . . 26 LEU HN . 51802 1 122 . 1 . 1 26 26 LEU C C 13 173.2249 . . 1 . . 36945 . . 26 LEU C . 51802 1 123 . 1 . 1 26 26 LEU CA C 13 51.3842 . . 1 . . 37650 . . 26 LEU CA . 51802 1 124 . 1 . 1 26 26 LEU CB C 13 44.0369 . . 1 . . 37662 . . 26 LEU CB . 51802 1 125 . 1 . 1 26 26 LEU N N 15 120.3780 . . 1 . . 36301 . . 26 LEU N . 51802 1 126 . 1 . 1 27 27 PRO C C 13 177.0774 . . 1 . . 38976 . . 27 PRO C . 51802 1 127 . 1 . 1 27 27 PRO CA C 13 62.9204 . . 1 . . 36027 . . 27 PRO CA . 51802 1 128 . 1 . 1 27 27 PRO CB C 13 32.6386 . . 1 . . 36051 . . 27 PRO CB . 51802 1 129 . 1 . 1 28 28 ALA H H 1 8.7603 . . 1 . . 36026 . . 28 ALA HN . 51802 1 130 . 1 . 1 28 28 ALA C C 13 180.0294 . . 1 . . 37191 . . 28 ALA C . 51802 1 131 . 1 . 1 28 28 ALA CA C 13 55.9545 . . 1 . . 37374 . . 28 ALA CA . 51802 1 132 . 1 . 1 28 28 ALA CB C 13 18.6479 . . 1 . . 36552 . . 28 ALA CB . 51802 1 133 . 1 . 1 28 28 ALA N N 15 126.2723 . . 1 . . 36028 . . 28 ALA N . 51802 1 134 . 1 . 1 29 29 ASP H H 1 9.0186 . . 1 . . 36521 . . 29 ASP HN . 51802 1 135 . 1 . 1 29 29 ASP C C 13 179.1439 . . 1 . . 37044 . . 29 ASP C . 51802 1 136 . 1 . 1 29 29 ASP CA C 13 57.4595 . . 1 . . 37935 . . 29 ASP CA . 51802 1 137 . 1 . 1 29 29 ASP CB C 13 39.5413 . . 1 . . 37956 . . 29 ASP CB . 51802 1 138 . 1 . 1 29 29 ASP N N 15 115.7580 . . 1 . . 36523 . . 29 ASP N . 51802 1 139 . 1 . 1 30 30 ASP H H 1 7.2793 . . 1 . . 36254 . . 30 ASP HN . 51802 1 140 . 1 . 1 30 30 ASP C C 13 177.6567 . . 1 . . 36918 . . 30 ASP C . 51802 1 141 . 1 . 1 30 30 ASP CA C 13 57.2491 . . 1 . . 38181 . . 30 ASP CA . 51802 1 142 . 1 . 1 30 30 ASP CB C 13 41.3043 . . 1 . . 36273 . . 30 ASP CB . 51802 1 143 . 1 . 1 30 30 ASP N N 15 120.5469 . . 1 . . 36256 . . 30 ASP N . 51802 1 144 . 1 . 1 31 31 LYS H H 1 8.3793 . . 1 . . 36248 . . 31 LYS HN . 51802 1 145 . 1 . 1 31 31 LYS C C 13 178.1344 . . 1 . . 39249 . . 31 LYS C . 51802 1 146 . 1 . 1 31 31 LYS CA C 13 61.1763 . . 1 . . 36564 . . 31 LYS CA . 51802 1 147 . 1 . 1 31 31 LYS CB C 13 32.3243 . . 1 . . 38391 . . 31 LYS CB . 51802 1 148 . 1 . 1 31 31 LYS N N 15 120.6566 . . 1 . . 36250 . . 31 LYS N . 51802 1 149 . 1 . 1 32 32 THR H H 1 8.3947 . . 1 . . 36563 . . 32 THR HN . 51802 1 150 . 1 . 1 32 32 THR C C 13 176.5821 . . 1 . . 37068 . . 32 THR C . 51802 1 151 . 1 . 1 32 32 THR CA C 13 66.4469 . . 1 . . 36060 . . 32 THR CA . 51802 1 152 . 1 . 1 32 32 THR CB C 13 68.8266 . . 1 . . 36057 . . 32 THR CB . 51802 1 153 . 1 . 1 32 32 THR N N 15 114.7987 . . 1 . . 36565 . . 32 THR N . 51802 1 154 . 1 . 1 33 33 ALA H H 1 7.6077 . . 1 . . 36059 . . 33 ALA HN . 51802 1 155 . 1 . 1 33 33 ALA C C 13 181.2833 . . 1 . . 36798 . . 33 ALA C . 51802 1 156 . 1 . 1 33 33 ALA CA C 13 55.5102 . . 1 . . 41362 . . 33 ALA CA . 51802 1 157 . 1 . 1 33 33 ALA CB C 13 18.2672 . . 1 . . 41350 . . 33 ALA CB . 51802 1 158 . 1 . 1 33 33 ALA N N 15 124.3711 . . 1 . . 36061 . . 33 ALA N . 51802 1 159 . 1 . 1 34 34 ILE H H 1 8.6440 . . 1 . . 41346 . . 34 ILE HN . 51802 1 160 . 1 . 1 34 34 ILE C C 13 177.6583 . . 1 . . 39855 . . 34 ILE C . 51802 1 161 . 1 . 1 34 34 ILE CA C 13 65.8506 . . 1 . . 39843 . . 34 ILE CA . 51802 1 162 . 1 . 1 34 34 ILE CB C 13 38.4767 . . 1 . . 38295 . . 34 ILE CB . 51802 1 163 . 1 . 1 34 34 ILE N N 15 120.5807 . . 1 . . 41348 . . 34 ILE N . 51802 1 164 . 1 . 1 35 35 GLU H H 1 8.8881 . . 1 . . 36386 . . 35 GLU HN . 51802 1 165 . 1 . 1 35 35 GLU C C 13 180.0308 . . 1 . . 36948 . . 35 GLU C . 51802 1 166 . 1 . 1 35 35 GLU CA C 13 60.4963 . . 1 . . 37923 . . 35 GLU CA . 51802 1 167 . 1 . 1 35 35 GLU CB C 13 29.0432 . . 1 . . 38361 . . 35 GLU CB . 51802 1 168 . 1 . 1 35 35 GLU N N 15 119.9166 . . 1 . . 36388 . . 35 GLU N . 51802 1 169 . 1 . 1 36 36 SER H H 1 8.3153 . . 1 . . 36515 . . 36 SER HN . 51802 1 170 . 1 . 1 36 36 SER C C 13 176.9661 . . 1 . . 37197 . . 36 SER C . 51802 1 171 . 1 . 1 36 36 SER CA C 13 61.8543 . . 1 . . 37914 . . 36 SER CA . 51802 1 172 . 1 . 1 36 36 SER CB C 13 62.3131 . . 1 . . 38364 . . 36 SER CB . 51802 1 173 . 1 . 1 36 36 SER N N 15 115.2336 . . 1 . . 36517 . . 36 SER N . 51802 1 174 . 1 . 1 37 37 ALA H H 1 7.8245 . . 1 . . 36038 . . 37 ALA HN . 51802 1 175 . 1 . 1 37 37 ALA C C 13 181.1735 . . 1 . . 37104 . . 37 ALA C . 51802 1 176 . 1 . 1 37 37 ALA CA C 13 54.7723 . . 1 . . 36069 . . 37 ALA CA . 51802 1 177 . 1 . 1 37 37 ALA CB C 13 19.0067 . . 1 . . 36126 . . 37 ALA CB . 51802 1 178 . 1 . 1 37 37 ALA N N 15 125.2193 . . 1 . . 36040 . . 37 ALA N . 51802 1 179 . 1 . 1 38 38 LEU H H 1 9.1448 . . 1 . . 36068 . . 38 LEU HN . 51802 1 180 . 1 . 1 38 38 LEU C C 13 178.4153 . . 1 . . 36804 . . 38 LEU C . 51802 1 181 . 1 . 1 38 38 LEU CA C 13 58.3788 . . 1 . . 37416 . . 38 LEU CA . 51802 1 182 . 1 . 1 38 38 LEU CB C 13 41.4826 . . 1 . . 37458 . . 38 LEU CB . 51802 1 183 . 1 . 1 38 38 LEU N N 15 124.0418 . . 1 . . 36070 . . 38 LEU N . 51802 1 184 . 1 . 1 39 39 THR H H 1 8.2289 . . 1 . . 36434 . . 39 THR HN . 51802 1 185 . 1 . 1 39 39 THR C C 13 176.5561 . . 1 . . 37035 . . 39 THR C . 51802 1 186 . 1 . 1 39 39 THR CA C 13 66.6453 . . 1 . . 37830 . . 39 THR CA . 51802 1 187 . 1 . 1 39 39 THR CB C 13 68.6778 . . 1 . . 36129 . . 39 THR CB . 51802 1 188 . 1 . 1 39 39 THR N N 15 117.5047 . . 1 . . 36436 . . 39 THR N . 51802 1 189 . 1 . 1 40 40 ALA H H 1 7.9733 . . 1 . . 36131 . . 40 ALA HN . 51802 1 190 . 1 . 1 40 40 ALA C C 13 181.0123 . . 1 . . 37269 . . 40 ALA C . 51802 1 191 . 1 . 1 40 40 ALA CA C 13 54.8543 . . 1 . . 37527 . . 40 ALA CA . 51802 1 192 . 1 . 1 40 40 ALA CB C 13 18.7297 . . 1 . . 37584 . . 40 ALA CB . 51802 1 193 . 1 . 1 40 40 ALA N N 15 123.3924 . . 1 . . 36133 . . 40 ALA N . 51802 1 194 . 1 . 1 41 41 LEU H H 1 8.0274 . . 1 . . 36320 . . 41 LEU HN . 51802 1 195 . 1 . 1 41 41 LEU C C 13 176.6198 . . 1 . . 37143 . . 41 LEU C . 51802 1 196 . 1 . 1 41 41 LEU CA C 13 58.0993 . . 1 . . 37626 . . 41 LEU CA . 51802 1 197 . 1 . 1 41 41 LEU CB C 13 41.0539 . . 1 . . 38571 . . 41 LEU CB . 51802 1 198 . 1 . 1 41 41 LEU N N 15 120.7561 . . 1 . . 36322 . . 41 LEU N . 51802 1 199 . 1 . 1 42 42 GLU H H 1 8.7750 . . 1 . . 36269 . . 42 GLU HN . 51802 1 200 . 1 . 1 42 42 GLU C C 13 178.9912 . . 1 . . 39246 . . 42 GLU C . 51802 1 201 . 1 . 1 42 42 GLU CA C 13 60.5418 . . 1 . . 38388 . . 42 GLU CA . 51802 1 202 . 1 . 1 42 42 GLU CB C 13 29.9391 . . 1 . . 37686 . . 42 GLU CB . 51802 1 203 . 1 . 1 42 42 GLU N N 15 120.8525 . . 1 . . 36271 . . 42 GLU N . 51802 1 204 . 1 . 1 43 43 THR H H 1 8.3093 . . 1 . . 36581 . . 43 THR HN . 51802 1 205 . 1 . 1 43 43 THR C C 13 177.0473 . . 1 . . 38979 . . 43 THR C . 51802 1 206 . 1 . 1 43 43 THR CA C 13 66.7177 . . 1 . . 36024 . . 43 THR CA . 51802 1 207 . 1 . 1 43 43 THR CB C 13 68.8379 . . 1 . . 37977 . . 43 THR CB . 51802 1 208 . 1 . 1 43 43 THR N N 15 114.4469 . . 1 . . 36583 . . 43 THR N . 51802 1 209 . 1 . 1 44 44 ALA H H 1 7.9449 . . 1 . . 36023 . . 44 ALA HN . 51802 1 210 . 1 . 1 44 44 ALA C C 13 180.5051 . . 1 . . 39129 . . 44 ALA C . 51802 1 211 . 1 . 1 44 44 ALA CA C 13 55.1647 . . 1 . . 38220 . . 44 ALA CA . 51802 1 212 . 1 . 1 44 44 ALA CB C 13 17.3031 . . 1 . . 36426 . . 44 ALA CB . 51802 1 213 . 1 . 1 44 44 ALA N N 15 125.6692 . . 1 . . 36025 . . 44 ALA N . 51802 1 214 . 1 . 1 45 45 LEU H H 1 8.4870 . . 1 . . 36347 . . 45 LEU HN . 51802 1 215 . 1 . 1 45 45 LEU C C 13 177.6960 . . 1 . . 36972 . . 45 LEU C . 51802 1 216 . 1 . 1 45 45 LEU CA C 13 57.6320 . . 1 . . 37740 . . 45 LEU CA . 51802 1 217 . 1 . 1 45 45 LEU CB C 13 41.9519 . . 1 . . 37782 . . 45 LEU CB . 51802 1 218 . 1 . 1 45 45 LEU N N 15 118.7542 . . 1 . . 36349 . . 45 LEU N . 51802 1 219 . 1 . 1 46 46 LYS H H 1 7.2273 . . 1 . . 36539 . . 46 LYS HN . 51802 1 220 . 1 . 1 46 46 LYS C C 13 177.7564 . . 1 . . 37056 . . 46 LYS C . 51802 1 221 . 1 . 1 46 46 LYS CA C 13 57.1303 . . 1 . . 37953 . . 46 LYS CA . 51802 1 222 . 1 . 1 46 46 LYS CB C 13 32.7618 . . 1 . . 37962 . . 46 LYS CB . 51802 1 223 . 1 . 1 46 46 LYS N N 15 116.3264 . . 1 . . 36541 . . 46 LYS N . 51802 1 224 . 1 . 1 47 47 GLY H H 1 7.6017 . . 1 . . 36665 . . 47 GLY HN . 51802 1 225 . 1 . 1 47 47 GLY C C 13 172.7794 . . 1 . . 37095 . . 47 GLY C . 51802 1 226 . 1 . 1 47 47 GLY CA C 13 44.0875 . . 1 . . 38055 . . 47 GLY CA . 51802 1 227 . 1 . 1 47 47 GLY N N 15 106.8381 . . 1 . . 36667 . . 47 GLY N . 51802 1 228 . 1 . 1 48 48 GLU H H 1 8.3359 . . 1 . . 36572 . . 48 GLU HN . 51802 1 229 . 1 . 1 48 48 GLU C C 13 174.8005 . . 1 . . 39180 . . 48 GLU C . 51802 1 230 . 1 . 1 48 48 GLU CA C 13 54.6625 . . 1 . . 37998 . . 48 GLU CA . 51802 1 231 . 1 . 1 48 48 GLU CB C 13 30.1369 . . 1 . . 38310 . . 48 GLU CB . 51802 1 232 . 1 . 1 48 48 GLU N N 15 114.3192 . . 1 . . 36574 . . 48 GLU N . 51802 1 233 . 1 . 1 49 49 ASP H H 1 7.8465 . . 1 . . 36359 . . 49 ASP HN . 51802 1 234 . 1 . 1 49 49 ASP C C 13 176.6420 . . 1 . . 36984 . . 49 ASP C . 51802 1 235 . 1 . 1 49 49 ASP CA C 13 52.5970 . . 1 . . 37779 . . 49 ASP CA . 51802 1 236 . 1 . 1 49 49 ASP CB C 13 42.0170 . . 1 . . 37788 . . 49 ASP CB . 51802 1 237 . 1 . 1 49 49 ASP N N 15 119.9153 . . 1 . . 36361 . . 49 ASP N . 51802 1 238 . 1 . 1 50 50 LYS H H 1 8.9391 . . 1 . . 36005 . . 50 LYS HN . 51802 1 239 . 1 . 1 50 50 LYS C C 13 177.1539 . . 1 . . 37287 . . 50 LYS C . 51802 1 240 . 1 . 1 50 50 LYS CA C 13 60.2594 . . 1 . . 38253 . . 50 LYS CA . 51802 1 241 . 1 . 1 50 50 LYS CB C 13 33.4585 . . 1 . . 38514 . . 50 LYS CB . 51802 1 242 . 1 . 1 50 50 LYS N N 15 128.8961 . . 1 . . 36007 . . 50 LYS N . 51802 1 243 . 1 . 1 51 51 ALA H H 1 8.1085 . . 1 . . 36290 . . 51 ALA HN . 51802 1 244 . 1 . 1 51 51 ALA C C 13 180.9335 . . 1 . . 39036 . . 51 ALA C . 51802 1 245 . 1 . 1 51 51 ALA CA C 13 54.8404 . . 1 . . 37623 . . 51 ALA CA . 51802 1 246 . 1 . 1 51 51 ALA CB C 13 17.7448 . . 1 . . 37713 . . 51 ALA CB . 51802 1 247 . 1 . 1 51 51 ALA N N 15 121.4154 . . 1 . . 36292 . . 51 ALA N . 51802 1 248 . 1 . 1 52 52 ALA H H 1 7.8319 . . 1 . . 36209 . . 52 ALA HN . 51802 1 249 . 1 . 1 52 52 ALA C C 13 180.2247 . . 1 . . 36849 . . 52 ALA C . 51802 1 250 . 1 . 1 52 52 ALA CA C 13 54.4171 . . 1 . . 38316 . . 52 ALA CA . 51802 1 251 . 1 . 1 52 52 ALA CB C 13 18.1062 . . 1 . . 37587 . . 52 ALA CB . 51802 1 252 . 1 . 1 52 52 ALA N N 15 122.1474 . . 1 . . 36211 . . 52 ALA N . 51802 1 253 . 1 . 1 53 53 ILE H H 1 7.3673 . . 1 . . 36470 . . 53 ILE HN . 51802 1 254 . 1 . 1 53 53 ILE C C 13 177.8175 . . 1 . . 37023 . . 53 ILE C . 51802 1 255 . 1 . 1 53 53 ILE CA C 13 66.2291 . . 1 . . 38289 . . 53 ILE CA . 51802 1 256 . 1 . 1 53 53 ILE CB C 13 38.0927 . . 1 . . 36393 . . 53 ILE CB . 51802 1 257 . 1 . 1 53 53 ILE N N 15 116.8895 . . 1 . . 36472 . . 53 ILE N . 51802 1 258 . 1 . 1 54 54 GLU H H 1 8.1727 . . 1 . . 36326 . . 54 GLU HN . 51802 1 259 . 1 . 1 54 54 GLU C C 13 179.6408 . . 1 . . 41285 . . 54 GLU C . 51802 1 260 . 1 . 1 54 54 GLU CA C 13 60.1005 . . 1 . . 41264 . . 54 GLU CA . 51802 1 261 . 1 . 1 54 54 GLU CB C 13 29.2734 . . 1 . . 37815 . . 54 GLU CB . 51802 1 262 . 1 . 1 54 54 GLU N N 15 118.5777 . . 1 . . 36328 . . 54 GLU N . 51802 1 263 . 1 . 1 55 55 ALA H H 1 8.3388 . . 1 . . 41263 . . 55 ALA HN . 51802 1 264 . 1 . 1 55 55 ALA C C 13 180.5106 . . 1 . . 39219 . . 55 ALA C . 51802 1 265 . 1 . 1 55 55 ALA CA C 13 55.0971 . . 1 . . 41279 . . 55 ALA CA . 51802 1 266 . 1 . 1 55 55 ALA CB C 13 17.8749 . . 1 . . 36555 . . 55 ALA CB . 51802 1 267 . 1 . 1 55 55 ALA N N 15 121.9560 . . 1 . . 41265 . . 55 ALA N . 51802 1 268 . 1 . 1 56 56 LYS H H 1 8.1176 . . 1 . . 36554 . . 56 LYS HN . 51802 1 269 . 1 . 1 56 56 LYS C C 13 181.1948 . . 1 . . 37041 . . 56 LYS C . 51802 1 270 . 1 . 1 56 56 LYS CA C 13 57.1220 . . 1 . . 37941 . . 56 LYS CA . 51802 1 271 . 1 . 1 56 56 LYS CB C 13 30.8773 . . 1 . . 37959 . . 56 LYS CB . 51802 1 272 . 1 . 1 56 56 LYS N N 15 116.2239 . . 1 . . 36556 . . 56 LYS N . 51802 1 273 . 1 . 1 57 57 MET H H 1 8.7848 . . 1 . . 36188 . . 57 MET HN . 51802 1 274 . 1 . 1 57 57 MET C C 13 177.7184 . . 1 . . 39099 . . 57 MET C . 51802 1 275 . 1 . 1 57 57 MET CA C 13 60.5928 . . 1 . . 36234 . . 57 MET CA . 51802 1 276 . 1 . 1 57 57 MET CB C 13 33.8914 . . 1 . . 38184 . . 57 MET CB . 51802 1 277 . 1 . 1 57 57 MET N N 15 122.9214 . . 1 . . 36190 . . 57 MET N . 51802 1 278 . 1 . 1 58 58 GLN H H 1 7.8825 . . 1 . . 36233 . . 58 GLN HN . 51802 1 279 . 1 . 1 58 58 GLN C C 13 179.0181 . . 1 . . 36903 . . 58 GLN C . 51802 1 280 . 1 . 1 58 58 GLN CA C 13 59.0116 . . 1 . . 36339 . . 58 GLN CA . 51802 1 281 . 1 . 1 58 58 GLN CB C 13 27.9686 . . 1 . . 37707 . . 58 GLN CB . 51802 1 282 . 1 . 1 58 58 GLN N N 15 120.7143 . . 1 . . 36235 . . 58 GLN N . 51802 1 283 . 1 . 1 59 59 GLU H H 1 8.3616 . . 1 . . 36338 . . 59 GLU HN . 51802 1 284 . 1 . 1 59 59 GLU C C 13 179.1621 . . 1 . . 39135 . . 59 GLU C . 51802 1 285 . 1 . 1 59 59 GLU CA C 13 59.4550 . . 1 . . 36444 . . 59 GLU CA . 51802 1 286 . 1 . 1 59 59 GLU CB C 13 29.7235 . . 1 . . 36501 . . 59 GLU CB . 51802 1 287 . 1 . 1 59 59 GLU N N 15 119.3832 . . 1 . . 36340 . . 59 GLU N . 51802 1 288 . 1 . 1 60 60 LEU H H 1 7.6614 . . 1 . . 36500 . . 60 LEU HN . 51802 1 289 . 1 . 1 60 60 LEU C C 13 179.0756 . . 1 . . 36999 . . 60 LEU C . 51802 1 290 . 1 . 1 60 60 LEU CA C 13 57.1517 . . 1 . . 37863 . . 60 LEU CA . 51802 1 291 . 1 . 1 60 60 LEU CB C 13 41.5114 . . 1 . . 38091 . . 60 LEU CB . 51802 1 292 . 1 . 1 60 60 LEU N N 15 118.3736 . . 1 . . 36502 . . 60 LEU N . 51802 1 293 . 1 . 1 61 61 ALA H H 1 8.2607 . . 1 . . 36074 . . 61 ALA HN . 51802 1 294 . 1 . 1 61 61 ALA C C 13 180.4590 . . 1 . . 36801 . . 61 ALA C . 51802 1 295 . 1 . 1 61 61 ALA CA C 13 55.4549 . . 1 . . 37425 . . 61 ALA CA . 51802 1 296 . 1 . 1 61 61 ALA CB C 13 17.6050 . . 1 . . 37485 . . 61 ALA CB . 51802 1 297 . 1 . 1 61 61 ALA N N 15 124.0688 . . 1 . . 36076 . . 61 ALA N . 51802 1 298 . 1 . 1 62 62 GLN H H 1 7.8808 . . 1 . . 36557 . . 62 GLN HN . 51802 1 299 . 1 . 1 62 62 GLN C C 13 178.8158 . . 1 . . 37050 . . 62 GLN C . 51802 1 300 . 1 . 1 62 62 GLN CA C 13 58.7852 . . 1 . . 37932 . . 62 GLN CA . 51802 1 301 . 1 . 1 62 62 GLN CB C 13 28.5603 . . 1 . . 40251 . . 62 GLN CB . 51802 1 302 . 1 . 1 62 62 GLN N N 15 115.9247 . . 1 . . 36559 . . 62 GLN N . 51802 1 303 . 1 . 1 63 63 VAL H H 1 7.6047 . . 1 . . 40247 . . 63 VAL HN . 51802 1 304 . 1 . 1 63 63 VAL C C 13 177.3683 . . 1 . . 37212 . . 63 VAL C . 51802 1 305 . 1 . 1 63 63 VAL CA C 13 62.7612 . . 1 . . 36561 . . 63 VAL CA . 51802 1 306 . 1 . 1 63 63 VAL CB C 13 31.8648 . . 1 . . 40257 . . 63 VAL CB . 51802 1 307 . 1 . 1 63 63 VAL N N 15 111.1806 . . 1 . . 40249 . . 63 VAL N . 51802 1 308 . 1 . 1 64 64 SER H H 1 7.7795 . . 1 . . 36578 . . 64 SER HN . 51802 1 309 . 1 . 1 64 64 SER C C 13 174.9024 . . 1 . . 39069 . . 64 SER C . 51802 1 310 . 1 . 1 64 64 SER CA C 13 59.5016 . . 1 . . 37992 . . 64 SER CA . 51802 1 311 . 1 . 1 64 64 SER CB C 13 63.7315 . . 1 . . 37986 . . 64 SER CB . 51802 1 312 . 1 . 1 64 64 SER N N 15 114.7624 . . 1 . . 36580 . . 64 SER N . 51802 1 313 . 1 . 1 65 65 GLN H H 1 7.8864 . . 1 . . 36146 . . 65 GLN HN . 51802 1 314 . 1 . 1 65 65 GLN C C 13 178.2140 . . 1 . . 39153 . . 65 GLN C . 51802 1 315 . 1 . 1 65 65 GLN CA C 13 59.9694 . . 1 . . 37503 . . 65 GLN CA . 51802 1 316 . 1 . 1 65 65 GLN CB C 13 28.3870 . . 1 . . 37575 . . 65 GLN CB . 51802 1 317 . 1 . 1 65 65 GLN N N 15 122.8672 . . 1 . . 36148 . . 65 GLN N . 51802 1 318 . 1 . 1 66 66 LYS H H 1 8.5481 . . 1 . . 36332 . . 66 LYS HN . 51802 1 319 . 1 . 1 66 66 LYS C C 13 178.6981 . . 1 . . 39201 . . 66 LYS C . 51802 1 320 . 1 . 1 66 66 LYS CA C 13 58.1520 . . 1 . . 37743 . . 66 LYS CA . 51802 1 321 . 1 . 1 66 66 LYS CB C 13 31.8548 . . 1 . . 36492 . . 66 LYS CB . 51802 1 322 . 1 . 1 66 66 LYS N N 15 118.5911 . . 1 . . 36334 . . 66 LYS N . 51802 1 323 . 1 . 1 67 67 LEU H H 1 7.4861 . . 1 . . 36491 . . 67 LEU HN . 51802 1 324 . 1 . 1 67 67 LEU C C 13 178.3325 . . 1 . . 37020 . . 67 LEU C . 51802 1 325 . 1 . 1 67 67 LEU CA C 13 57.5353 . . 1 . . 37866 . . 67 LEU CA . 51802 1 326 . 1 . 1 67 67 LEU CB C 13 41.5114 . . 1 . . 37875 . . 67 LEU CB . 51802 1 327 . 1 . 1 67 67 LEU N N 15 117.6071 . . 1 . . 36493 . . 67 LEU N . 51802 1 328 . 1 . 1 68 68 MET H H 1 7.8366 . . 1 . . 36455 . . 68 MET HN . 51802 1 329 . 1 . 1 68 68 MET C C 13 178.4890 . . 1 . . 37011 . . 68 MET C . 51802 1 330 . 1 . 1 68 68 MET CA C 13 57.7421 . . 1 . . 37761 . . 68 MET CA . 51802 1 331 . 1 . 1 68 68 MET CB C 13 31.8868 . . 1 . . 38241 . . 68 MET CB . 51802 1 332 . 1 . 1 68 68 MET N N 15 117.2563 . . 1 . . 36457 . . 68 MET N . 51802 1 333 . 1 . 1 69 69 GLU H H 1 7.6504 . . 1 . . 36365 . . 69 GLU HN . 51802 1 334 . 1 . 1 69 69 GLU C C 13 178.9339 . . 1 . . 39144 . . 69 GLU C . 51802 1 335 . 1 . 1 69 69 GLU CA C 13 59.0152 . . 1 . . 36342 . . 69 GLU CA . 51802 1 336 . 1 . 1 69 69 GLU CB C 13 29.8369 . . 1 . . 37821 . . 69 GLU CB . 51802 1 337 . 1 . 1 69 69 GLU N N 15 119.6979 . . 1 . . 36367 . . 69 GLU N . 51802 1 338 . 1 . 1 70 70 ILE H H 1 7.8708 . . 1 . . 36341 . . 70 ILE HN . 51802 1 339 . 1 . 1 70 70 ILE C C 13 178.2003 . . 1 . . 36963 . . 70 ILE C . 51802 1 340 . 1 . 1 70 70 ILE CA C 13 64.1967 . . 1 . . 38139 . . 70 ILE CA . 51802 1 341 . 1 . 1 70 70 ILE CB C 13 38.6678 . . 1 . . 38136 . . 70 ILE CB . 51802 1 342 . 1 . 1 70 70 ILE N N 15 119.5894 . . 1 . . 36343 . . 70 ILE N . 51802 1 343 . 1 . 1 71 71 ALA H H 1 8.1798 . . 1 . . 36134 . . 71 ALA HN . 51802 1 344 . 1 . 1 71 71 ALA C C 13 179.6308 . . 1 . . 39186 . . 71 ALA C . 51802 1 345 . 1 . 1 71 71 ALA CA C 13 54.4961 . . 1 . . 37533 . . 71 ALA CA . 51802 1 346 . 1 . 1 71 71 ALA CB C 13 18.5159 . . 1 . . 37581 . . 71 ALA CB . 51802 1 347 . 1 . 1 71 71 ALA N N 15 122.9600 . . 1 . . 36136 . . 71 ALA N . 51802 1 348 . 1 . 1 72 72 GLN H H 1 7.9853 . . 1 . . 36506 . . 72 GLN HN . 51802 1 349 . 1 . 1 72 72 GLN C C 13 177.7703 . . 1 . . 37029 . . 72 GLN C . 51802 1 350 . 1 . 1 72 72 GLN CA C 13 57.4840 . . 1 . . 37860 . . 72 GLN CA . 51802 1 351 . 1 . 1 72 72 GLN CB C 13 28.6053 . . 1 . . 37902 . . 72 GLN CB . 51802 1 352 . 1 . 1 72 72 GLN N N 15 117.1156 . . 1 . . 36508 . . 72 GLN N . 51802 1 353 . 1 . 1 73 73 GLN H H 1 7.9768 . . 1 . . 36362 . . 73 GLN HN . 51802 1 354 . 1 . 1 73 73 GLN C C 13 177.5755 . . 1 . . 40017 . . 73 GLN C . 51802 1 355 . 1 . 1 73 73 GLN CA C 13 57.2560 . . 1 . . 40018 . . 73 GLN CA . 51802 1 356 . 1 . 1 73 73 GLN CB C 13 28.6356 . . 1 . . 40016 . . 73 GLN CB . 51802 1 357 . 1 . 1 73 73 GLN N N 15 119.6113 . . 1 . . 36364 . . 73 GLN N . 51802 1 358 . 1 . 1 74 74 GLN H H 1 8.1755 . . 1 . . 36353 . . 74 GLN HN . 51802 1 359 . 1 . 1 74 74 GLN C C 13 176.9870 . . 1 . . 36981 . . 74 GLN C . 51802 1 360 . 1 . 1 74 74 GLN CA C 13 57.0559 . . 1 . . 37752 . . 74 GLN CA . 51802 1 361 . 1 . 1 74 74 GLN CB C 13 28.9459 . . 1 . . 38520 . . 74 GLN CB . 51802 1 362 . 1 . 1 74 74 GLN N N 15 119.3807 . . 1 . . 36355 . . 74 GLN N . 51802 1 363 . 1 . 1 75 75 HIS H H 1 8.1284 . . 1 . . 36356 . . 75 HIS HN . 51802 1 364 . 1 . 1 75 75 HIS C C 13 175.7292 . . 1 . . 37161 . . 75 HIS C . 51802 1 365 . 1 . 1 75 75 HIS CA C 13 56.9506 . . 1 . . 37755 . . 75 HIS CA . 51802 1 366 . 1 . 1 75 75 HIS CB C 13 30.2912 . . 1 . . 38109 . . 75 HIS CB . 51802 1 367 . 1 . 1 75 75 HIS N N 15 119.1260 . . 1 . . 36358 . . 75 HIS N . 51802 1 368 . 1 . 1 76 76 ALA H H 1 8.1117 . . 1 . . 36077 . . 76 ALA HN . 51802 1 369 . 1 . 1 76 76 ALA C C 13 178.2947 . . 1 . . 40755 . . 76 ALA C . 51802 1 370 . 1 . 1 76 76 ALA CA C 13 53.3157 . . 1 . . 37443 . . 76 ALA CA . 51802 1 371 . 1 . 1 76 76 ALA CB C 13 18.9811 . . 1 . . 38112 . . 76 ALA CB . 51802 1 372 . 1 . 1 76 76 ALA N N 15 123.6826 . . 1 . . 36079 . . 76 ALA N . 51802 1 373 . 1 . 1 77 77 GLN H H 1 8.2213 . . 1 . . 40736 . . 77 GLN HN . 51802 1 374 . 1 . 1 77 77 GLN C C 13 176.4451 . . 1 . . 41318 . . 77 GLN C . 51802 1 375 . 1 . 1 77 77 GLN CA C 13 56.3988 . . 1 . . 40743 . . 77 GLN CA . 51802 1 376 . 1 . 1 77 77 GLN CB C 13 29.1328 . . 1 . . 40749 . . 77 GLN CB . 51802 1 377 . 1 . 1 77 77 GLN N N 15 118.6808 . . 1 . . 40738 . . 77 GLN N . 51802 1 378 . 1 . 1 78 78 GLN H H 1 8.2318 . . 1 . . 42067 . . 78 GLN HN . 51802 1 379 . 1 . 1 78 78 GLN C C 13 176.3140 . . 1 . . 39114 . . 78 GLN C . 51802 1 380 . 1 . 1 78 78 GLN CA C 13 56.2505 . . 1 . . 36243 . . 78 GLN CA . 51802 1 381 . 1 . 1 78 78 GLN CB C 13 29.2657 . . 1 . . 36306 . . 78 GLN CB . 51802 1 382 . 1 . 1 78 78 GLN N N 15 120.6986 . . 1 . . 42069 . . 78 GLN N . 51802 1 383 . 1 . 1 79 79 GLN H H 1 8.3618 . . 1 . . 36242 . . 79 GLN HN . 51802 1 384 . 1 . 1 79 79 GLN C C 13 176.3690 . . 1 . . 37206 . . 79 GLN C . 51802 1 385 . 1 . 1 79 79 GLN CA C 13 56.0754 . . 1 . . 37617 . . 79 GLN CA . 51802 1 386 . 1 . 1 79 79 GLN CB C 13 29.4807 . . 1 . . 37689 . . 79 GLN CB . 51802 1 387 . 1 . 1 79 79 GLN N N 15 121.2159 . . 1 . . 36244 . . 79 GLN N . 51802 1 388 . 1 . 1 80 80 THR H H 1 8.1651 . . 1 . . 36527 . . 80 THR HN . 51802 1 389 . 1 . 1 80 80 THR C C 13 174.3652 . . 1 . . 38994 . . 80 THR C . 51802 1 390 . 1 . 1 80 80 THR CA C 13 61.9423 . . 1 . . 37362 . . 80 THR CA . 51802 1 391 . 1 . 1 80 80 THR CB C 13 69.7289 . . 1 . . 37911 . . 80 THR CB . 51802 1 392 . 1 . 1 80 80 THR N N 15 115.4782 . . 1 . . 36529 . . 80 THR N . 51802 1 393 . 1 . 1 81 81 ALA H H 1 8.3400 . . 1 . . 36017 . . 81 ALA HN . 51802 1 394 . 1 . 1 81 81 ALA C C 13 178.1970 . . 1 . . 37089 . . 81 ALA C . 51802 1 395 . 1 . 1 81 81 ALA CA C 13 52.7797 . . 1 . . 38046 . . 81 ALA CA . 51802 1 396 . 1 . 1 81 81 ALA CB C 13 19.1889 . . 1 . . 37398 . . 81 ALA CB . 51802 1 397 . 1 . 1 81 81 ALA N N 15 126.6898 . . 1 . . 36019 . . 81 ALA N . 51802 1 398 . 1 . 1 82 82 GLY H H 1 8.3674 . . 1 . . 36662 . . 82 GLY HN . 51802 1 399 . 1 . 1 82 82 GLY C C 13 174.1252 . . 1 . . 37092 . . 82 GLY C . 51802 1 400 . 1 . 1 82 82 GLY CA C 13 45.2037 . . 1 . . 37455 . . 82 GLY CA . 51802 1 401 . 1 . 1 82 82 GLY N N 15 108.5013 . . 1 . . 36664 . . 82 GLY N . 51802 1 402 . 1 . 1 83 83 ALA H H 1 8.1496 . . 1 . . 36098 . . 83 ALA HN . 51802 1 403 . 1 . 1 83 83 ALA C C 13 177.7300 . . 1 . . 41342 . . 83 ALA C . 51802 1 404 . 1 . 1 83 83 ALA CA C 13 52.6802 . . 1 . . 41340 . . 83 ALA CA . 51802 1 405 . 1 . 1 83 83 ALA CB C 13 19.2758 . . 1 . . 41341 . . 83 ALA CB . 51802 1 406 . 1 . 1 83 83 ALA N N 15 123.7490 . . 1 . . 36100 . . 83 ALA N . 51802 1 407 . 1 . 1 84 84 ASP H H 1 8.3295 . . 1 . . 41740 . . 84 ASP HN . 51802 1 408 . 1 . 1 84 84 ASP C C 13 176.4299 . . 1 . . 41750 . . 84 ASP C . 51802 1 409 . 1 . 1 84 84 ASP CA C 13 54.2239 . . 1 . . 36687 . . 84 ASP CA . 51802 1 410 . 1 . 1 84 84 ASP CB C 13 41.1376 . . 1 . . 41741 . . 84 ASP CB . 51802 1 411 . 1 . 1 84 84 ASP N N 15 119.4185 . . 1 . . 41742 . . 84 ASP N . 51802 1 412 . 1 . 1 85 85 ALA H H 1 8.2632 . . 1 . . 36683 . . 85 ALA HN . 51802 1 413 . 1 . 1 85 85 ALA C C 13 178.1475 . . 1 . . 36777 . . 85 ALA C . 51802 1 414 . 1 . 1 85 85 ALA CA C 13 52.9962 . . 1 . . 37995 . . 85 ALA CA . 51802 1 415 . 1 . 1 85 85 ALA CB C 13 18.9974 . . 1 . . 36585 . . 85 ALA CB . 51802 1 416 . 1 . 1 85 85 ALA N N 15 125.2270 . . 1 . . 36685 . . 85 ALA N . 51802 1 417 . 1 . 1 86 86 SER H H 1 8.2925 . . 1 . . 36584 . . 86 SER HN . 51802 1 418 . 1 . 1 86 86 SER C C 13 174.6505 . . 1 . . 38997 . . 86 SER C . 51802 1 419 . 1 . 1 86 86 SER CA C 13 58.8271 . . 1 . . 36042 . . 86 SER CA . 51802 1 420 . 1 . 1 86 86 SER CB C 13 63.7305 . . 1 . . 36036 . . 86 SER CB . 51802 1 421 . 1 . 1 86 86 SER N N 15 114.7512 . . 1 . . 36586 . . 86 SER N . 51802 1 422 . 1 . 1 87 87 ALA H H 1 8.1043 . . 1 . . 36110 . . 87 ALA HN . 51802 1 423 . 1 . 1 87 87 ALA C C 13 177.5137 . . 1 . . 36780 . . 87 ALA C . 51802 1 424 . 1 . 1 87 87 ALA CA C 13 52.8664 . . 1 . . 37386 . . 87 ALA CA . 51802 1 425 . 1 . 1 87 87 ALA CB C 13 19.0897 . . 1 . . 37401 . . 87 ALA CB . 51802 1 426 . 1 . 1 87 87 ALA N N 15 125.4035 . . 1 . . 36112 . . 87 ALA N . 51802 1 427 . 1 . 1 88 88 ASN H H 1 8.2568 . . 1 . . 36503 . . 88 ASN HN . 51802 1 428 . 1 . 1 88 88 ASN C C 13 174.9744 . . 1 . . 37038 . . 88 ASN C . 51802 1 429 . 1 . 1 88 88 ASN CA C 13 53.2317 . . 1 . . 36375 . . 88 ASN CA . 51802 1 430 . 1 . 1 88 88 ASN CB C 13 38.8828 . . 1 . . 37878 . . 88 ASN CB . 51802 1 431 . 1 . 1 88 88 ASN N N 15 117.4422 . . 1 . . 36505 . . 88 ASN N . 51802 1 432 . 1 . 1 89 89 ASN H H 1 8.2903 . . 1 . . 36389 . . 89 ASN HN . 51802 1 433 . 1 . 1 89 89 ASN C C 13 174.8223 . . 1 . . 36831 . . 89 ASN C . 51802 1 434 . 1 . 1 89 89 ASN CA C 13 53.4171 . . 1 . . 41336 . . 89 ASN CA . 51802 1 435 . 1 . 1 89 89 ASN CB C 13 38.9715 . . 1 . . 37473 . . 89 ASN CB . 51802 1 436 . 1 . 1 89 89 ASN N N 15 119.4339 . . 1 . . 36391 . . 89 ASN N . 51802 1 437 . 1 . 1 90 90 ALA H H 1 8.1881 . . 1 . . 36113 . . 90 ALA HN . 51802 1 438 . 1 . 1 90 90 ALA C C 13 177.5101 . . 1 . . 41994 . . 90 ALA C . 51802 1 439 . 1 . 1 90 90 ALA CA C 13 52.6754 . . 1 . . 41343 . . 90 ALA CA . 51802 1 440 . 1 . 1 90 90 ALA CB C 13 19.2111 . . 1 . . 41344 . . 90 ALA CB . 51802 1 441 . 1 . 1 90 90 ALA N N 15 124.4330 . . 1 . . 36115 . . 90 ALA N . 51802 1 442 . 1 . 1 91 91 LYS H H 1 8.2644 . . 1 . . 41972 . . 91 LYS HN . 51802 1 443 . 1 . 1 91 91 LYS C C 13 176.3704 . . 1 . . 41991 . . 91 LYS C . 51802 1 444 . 1 . 1 91 91 LYS CA C 13 56.0553 . . 1 . . 40784 . . 91 LYS CA . 51802 1 445 . 1 . 1 91 91 LYS CB C 13 33.2107 . . 1 . . 41294 . . 91 LYS CB . 51802 1 446 . 1 . 1 91 91 LYS N N 15 120.7169 . . 1 . . 41974 . . 91 LYS N . 51802 1 447 . 1 . 1 92 92 ASP H H 1 8.3393 . . 1 . . 41290 . . 92 ASP HN . 51802 1 448 . 1 . 1 92 92 ASP C C 13 176.0937 . . 1 . . 41312 . . 92 ASP C . 51802 1 449 . 1 . 1 92 92 ASP CA C 13 54.4302 . . 1 . . 41853 . . 92 ASP CA . 51802 1 450 . 1 . 1 92 92 ASP CB C 13 41.1366 . . 1 . . 41854 . . 92 ASP CB . 51802 1 451 . 1 . 1 92 92 ASP N N 15 121.9863 . . 1 . . 41292 . . 92 ASP N . 51802 1 452 . 1 . 1 93 93 ASP H H 1 8.6422 . . 1 . . 41373 . . 93 ASP HN . 51802 1 453 . 1 . 1 93 93 ASP C C 13 176.0388 . . 1 . . 41852 . . 93 ASP C . 51802 1 454 . 1 . 1 93 93 ASP CA C 13 54.5032 . . 1 . . 41851 . . 93 ASP CA . 51802 1 455 . 1 . 1 93 93 ASP CB C 13 41.1525 . . 1 . . 41850 . . 93 ASP CB . 51802 1 456 . 1 . 1 93 93 ASP N N 15 120.3816 . . 1 . . 41375 . . 93 ASP N . 51802 1 457 . 1 . 1 94 94 ASP H H 1 8.2460 . . 1 . . 41799 . . 94 ASP HN . 51802 1 458 . 1 . 1 94 94 ASP C C 13 176.0852 . . 1 . . 41849 . . 94 ASP C . 51802 1 459 . 1 . 1 94 94 ASP CA C 13 54.4655 . . 1 . . 41847 . . 94 ASP CA . 51802 1 460 . 1 . 1 94 94 ASP CB C 13 41.1211 . . 1 . . 41848 . . 94 ASP CB . 51802 1 461 . 1 . 1 94 94 ASP N N 15 120.3328 . . 1 . . 41801 . . 94 ASP N . 51802 1 462 . 1 . 1 95 95 VAL H H 1 7.9992 . . 1 . . 36266 . . 95 VAL HN . 51802 1 463 . 1 . 1 95 95 VAL C C 13 175.9373 . . 1 . . 36936 . . 95 VAL C . 51802 1 464 . 1 . 1 95 95 VAL CA C 13 62.3376 . . 1 . . 37596 . . 95 VAL CA . 51802 1 465 . 1 . 1 95 95 VAL CB C 13 32.7098 . . 1 . . 37680 . . 95 VAL CB . 51802 1 466 . 1 . 1 95 95 VAL N N 15 120.7071 . . 1 . . 36268 . . 95 VAL N . 51802 1 467 . 1 . 1 96 96 VAL H H 1 8.2212 . . 1 . . 36065 . . 96 VAL HN . 51802 1 468 . 1 . 1 96 96 VAL C C 13 175.7720 . . 1 . . 37317 . . 96 VAL C . 51802 1 469 . 1 . 1 96 96 VAL CA C 13 62.0181 . . 1 . . 37410 . . 96 VAL CA . 51802 1 470 . 1 . 1 96 96 VAL CB C 13 32.9513 . . 1 . . 37479 . . 96 VAL CB . 51802 1 471 . 1 . 1 96 96 VAL N N 15 124.7380 . . 1 . . 36067 . . 96 VAL N . 51802 1 472 . 1 . 1 97 97 ASP H H 1 8.3975 . . 1 . . 36062 . . 97 ASP HN . 51802 1 473 . 1 . 1 97 97 ASP C C 13 175.8204 . . 1 . . 36825 . . 97 ASP C . 51802 1 474 . 1 . 1 97 97 ASP CA C 13 54.3292 . . 1 . . 36081 . . 97 ASP CA . 51802 1 475 . 1 . 1 97 97 ASP CB C 13 41.2249 . . 1 . . 37467 . . 97 ASP CB . 51802 1 476 . 1 . 1 97 97 ASP N N 15 124.7910 . . 1 . . 36064 . . 97 ASP N . 51802 1 477 . 1 . 1 98 98 ALA H H 1 8.2339 . . 1 . . 36104 . . 98 ALA HN . 51802 1 478 . 1 . 1 98 98 ALA C C 13 177.7300 . . 1 . . 41726 . . 98 ALA C . 51802 1 479 . 1 . 1 98 98 ALA CA C 13 52.7352 . . 1 . . 41723 . . 98 ALA CA . 51802 1 480 . 1 . 1 98 98 ALA CB C 13 19.3566 . . 1 . . 37482 . . 98 ALA CB . 51802 1 481 . 1 . 1 98 98 ALA N N 15 124.9282 . . 1 . . 36106 . . 98 ALA N . 51802 1 482 . 1 . 1 99 99 GLU H H 1 8.3343 . . 1 . . 41713 . . 99 GLU HN . 51802 1 483 . 1 . 1 99 99 GLU C C 13 176.3217 . . 1 . . 41720 . . 99 GLU C . 51802 1 484 . 1 . 1 99 99 GLU CA C 13 56.7677 . . 1 . . 41732 . . 99 GLU CA . 51802 1 485 . 1 . 1 99 99 GLU CB C 13 30.1725 . . 1 . . 41738 . . 99 GLU CB . 51802 1 486 . 1 . 1 99 99 GLU N N 15 119.4958 . . 1 . . 41715 . . 99 GLU N . 51802 1 487 . 1 . 1 100 100 PHE H H 1 8.0840 . . 1 . . 36251 . . 100 PHE HN . 51802 1 488 . 1 . 1 100 100 PHE C C 13 175.4997 . . 1 . . 39063 . . 100 PHE C . 51802 1 489 . 1 . 1 100 100 PHE CA C 13 57.7748 . . 1 . . 36162 . . 100 PHE CA . 51802 1 490 . 1 . 1 100 100 PHE CB C 13 39.6883 . . 1 . . 36186 . . 100 PHE CB . 51802 1 491 . 1 . 1 100 100 PHE N N 15 120.5113 . . 1 . . 36253 . . 100 PHE N . 51802 1 492 . 1 . 1 101 101 GLU H H 1 8.1145 . . 1 . . 36161 . . 101 GLU HN . 51802 1 493 . 1 . 1 101 101 GLU C C 13 175.8250 . . 1 . . 39060 . . 101 GLU C . 51802 1 494 . 1 . 1 101 101 GLU CA C 13 56.3341 . . 1 . . 37518 . . 101 GLU CA . 51802 1 495 . 1 . 1 101 101 GLU CB C 13 30.7201 . . 1 . . 37569 . . 101 GLU CB . 51802 1 496 . 1 . 1 101 101 GLU N N 15 122.8422 . . 1 . . 36163 . . 101 GLU N . 51802 1 497 . 1 . 1 102 102 GLU H H 1 8.3434 . . 1 . . 36152 . . 102 GLU HN . 51802 1 498 . 1 . 1 102 102 GLU C C 13 176.3809 . . 1 . . 36864 . . 102 GLU C . 51802 1 499 . 1 . 1 102 102 GLU CA C 13 56.5479 . . 1 . . 37509 . . 102 GLU CA . 51802 1 500 . 1 . 1 102 102 GLU CB C 13 30.4544 . . 1 . . 37557 . . 102 GLU CB . 51802 1 501 . 1 . 1 102 102 GLU N N 15 122.6982 . . 1 . . 36154 . . 102 GLU N . 51802 1 502 . 1 . 1 103 103 VAL H H 1 8.2587 . . 1 . . 36155 . . 103 VAL HN . 51802 1 503 . 1 . 1 103 103 VAL C C 13 176.3376 . . 1 . . 36867 . . 103 VAL C . 51802 1 504 . 1 . 1 103 103 VAL CA C 13 62.6024 . . 1 . . 39720 . . 103 VAL CA . 51802 1 505 . 1 . 1 103 103 VAL CB C 13 32.3580 . . 1 . . 39717 . . 103 VAL CB . 51802 1 506 . 1 . 1 103 103 VAL N N 15 122.3871 . . 1 . . 36157 . . 103 VAL N . 51802 1 507 . 1 . 1 104 104 LYS H H 1 8.3504 . . 1 . . 39713 . . 104 LYS HN . 51802 1 508 . 1 . 1 104 104 LYS C C 13 176.3012 . . 1 . . 41857 . . 104 LYS C . 51802 1 509 . 1 . 1 104 104 LYS CA C 13 56.3729 . . 1 . . 42080 . . 104 LYS CA . 51802 1 510 . 1 . 1 104 104 LYS CB C 13 33.1175 . . 1 . . 41856 . . 104 LYS CB . 51802 1 511 . 1 . 1 104 104 LYS N N 15 125.3365 . . 1 . . 39715 . . 104 LYS N . 51802 1 512 . 1 . 1 105 105 ASP H H 1 8.2581 . . 1 . . 42079 . . 105 ASP HN . 51802 1 513 . 1 . 1 105 105 ASP C C 13 175.6797 . . 1 . . 39066 . . 105 ASP C . 51802 1 514 . 1 . 1 105 105 ASP CA C 13 54.4167 . . 1 . . 36171 . . 105 ASP CA . 51802 1 515 . 1 . 1 105 105 ASP CB C 13 41.0608 . . 1 . . 42027 . . 105 ASP CB . 51802 1 516 . 1 . 1 105 105 ASP N N 15 120.7610 . . 1 . . 42081 . . 105 ASP N . 51802 1 517 . 1 . 1 106 106 LYS H H 1 8.0830 . . 1 . . 36179 . . 106 LYS HN . 51802 1 518 . 1 . 1 106 106 LYS C C 13 175.5594 . . 1 . . 36879 . . 106 LYS C . 51802 1 519 . 1 . 1 106 106 LYS CA C 13 56.2987 . . 1 . . 36012 . . 106 LYS CA . 51802 1 520 . 1 . 1 106 106 LYS CB C 13 32.9877 . . 1 . . 37572 . . 106 LYS CB . 51802 1 521 . 1 . 1 106 106 LYS N N 15 121.9165 . . 1 . . 36181 . . 106 LYS N . 51802 1 522 . 1 . 1 107 107 LYS H H 1 7.9773 . . 1 . . 37349 . . 107 LYS HN . 51802 1 523 . 1 . 1 107 107 LYS C C 13 181.3794 . . 1 . . 36759 . . 107 LYS C . 51802 1 524 . 1 . 1 107 107 LYS CA C 13 57.6409 . . 1 . . 37347 . . 107 LYS CA . 51802 1 525 . 1 . 1 107 107 LYS CB C 13 33.5747 . . 1 . . 37356 . . 107 LYS CB . 51802 1 526 . 1 . 1 107 107 LYS N N 15 128.5000 . . 1 . . 37351 . . 107 LYS N . 51802 1 stop_ save_