data_50904 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50904 _Entry.Title ; TCPTP residues 303-387 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-04-20 _Entry.Accession_date 2021-04-20 _Entry.Last_release_date 2021-04-20 _Entry.Original_release_date 2021-04-20 _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 . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Jai Singh . Prakash . . 50904 2 Yang Li . . . . 50904 3 Wolfgang Peti . . . . 50904 4 Tzu-Ching Meng . . . . 50904 5 Rebecca Page . . . . 50904 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50904 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 222 50904 '15N chemical shifts' 78 50904 '1H chemical shifts' 78 50904 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 . . 2023-03-24 2021-04-20 update BMRB 'update entry citation' 50904 1 . . 2021-11-10 2021-04-20 original author 'original release' 50904 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50903 'TCPTP residues 1-302' 50904 BMRB 50905 'TCPTP residues 303-387 RK variant' 50904 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50904 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35013194 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The catalytic activity of TCPTP is auto-regulated by its intrinsically disordered tail and activated by Integrin alpha-1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 13 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 94 _Citation.Page_last 94 _Citation.Year 2022 _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 'Jai Prakash' Singh J. P. . . 50904 1 2 Yang Li Y. . . . 50904 1 3 Yi-Yun Chen Y. Y. . . 50904 1 4 'Shang-Te Danny' Hsu S. D. . . 50904 1 5 Rebecca Page R. . . . 50904 1 6 Wolfgang Peti W. . . . 50904 1 7 Tzu-Ching Meng T. C. . . 50904 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50904 _Assembly.ID 1 _Assembly.Name 'TCPTP residues 303-387' _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 'TCPTP residues 303-387' 1 $entity_1 . . yes native no no . . . 50904 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50904 _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 ; GHMGSHSPNKIMTEKYNGNR IGLEEEKLTGDRCTGLSSKM QDTMEENSESALRKRIREDR KATTAQKVQQMKQRLNENER KRKRPRLTDT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'His 6, Ser 7 are His 303, Ser 304 in TCPTP sequence.' _Entity.Polymer_author_seq_details 'The first five amino acids GHMGS are from cloning vector, TCPTP His303, S304 start after GHMGS.' _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 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 P17706-2 . . . . . . . . . . . . . . . . 50904 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 50904 1 2 . HIS . 50904 1 3 . MET . 50904 1 4 . GLY . 50904 1 5 . SER . 50904 1 6 . HIS . 50904 1 7 . SER . 50904 1 8 . PRO . 50904 1 9 . ASN . 50904 1 10 . LYS . 50904 1 11 . ILE . 50904 1 12 . MET . 50904 1 13 . THR . 50904 1 14 . GLU . 50904 1 15 . LYS . 50904 1 16 . TYR . 50904 1 17 . ASN . 50904 1 18 . GLY . 50904 1 19 . ASN . 50904 1 20 . ARG . 50904 1 21 . ILE . 50904 1 22 . GLY . 50904 1 23 . LEU . 50904 1 24 . GLU . 50904 1 25 . GLU . 50904 1 26 . GLU . 50904 1 27 . LYS . 50904 1 28 . LEU . 50904 1 29 . THR . 50904 1 30 . GLY . 50904 1 31 . ASP . 50904 1 32 . ARG . 50904 1 33 . CYS . 50904 1 34 . THR . 50904 1 35 . GLY . 50904 1 36 . LEU . 50904 1 37 . SER . 50904 1 38 . SER . 50904 1 39 . LYS . 50904 1 40 . MET . 50904 1 41 . GLN . 50904 1 42 . ASP . 50904 1 43 . THR . 50904 1 44 . MET . 50904 1 45 . GLU . 50904 1 46 . GLU . 50904 1 47 . ASN . 50904 1 48 . SER . 50904 1 49 . GLU . 50904 1 50 . SER . 50904 1 51 . ALA . 50904 1 52 . LEU . 50904 1 53 . ARG . 50904 1 54 . LYS . 50904 1 55 . ARG . 50904 1 56 . ILE . 50904 1 57 . ARG . 50904 1 58 . GLU . 50904 1 59 . ASP . 50904 1 60 . ARG . 50904 1 61 . LYS . 50904 1 62 . ALA . 50904 1 63 . THR . 50904 1 64 . THR . 50904 1 65 . ALA . 50904 1 66 . GLN . 50904 1 67 . LYS . 50904 1 68 . VAL . 50904 1 69 . GLN . 50904 1 70 . GLN . 50904 1 71 . MET . 50904 1 72 . LYS . 50904 1 73 . GLN . 50904 1 74 . ARG . 50904 1 75 . LEU . 50904 1 76 . ASN . 50904 1 77 . GLU . 50904 1 78 . ASN . 50904 1 79 . GLU . 50904 1 80 . ARG . 50904 1 81 . LYS . 50904 1 82 . ARG . 50904 1 83 . LYS . 50904 1 84 . ARG . 50904 1 85 . PRO . 50904 1 86 . ARG . 50904 1 87 . LEU . 50904 1 88 . THR . 50904 1 89 . ASP . 50904 1 90 . THR . 50904 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 50904 1 . HIS 2 2 50904 1 . MET 3 3 50904 1 . GLY 4 4 50904 1 . SER 5 5 50904 1 . HIS 6 6 50904 1 . SER 7 7 50904 1 . PRO 8 8 50904 1 . ASN 9 9 50904 1 . LYS 10 10 50904 1 . ILE 11 11 50904 1 . MET 12 12 50904 1 . THR 13 13 50904 1 . GLU 14 14 50904 1 . LYS 15 15 50904 1 . TYR 16 16 50904 1 . ASN 17 17 50904 1 . GLY 18 18 50904 1 . ASN 19 19 50904 1 . ARG 20 20 50904 1 . ILE 21 21 50904 1 . GLY 22 22 50904 1 . LEU 23 23 50904 1 . GLU 24 24 50904 1 . GLU 25 25 50904 1 . GLU 26 26 50904 1 . LYS 27 27 50904 1 . LEU 28 28 50904 1 . THR 29 29 50904 1 . GLY 30 30 50904 1 . ASP 31 31 50904 1 . ARG 32 32 50904 1 . CYS 33 33 50904 1 . THR 34 34 50904 1 . GLY 35 35 50904 1 . LEU 36 36 50904 1 . SER 37 37 50904 1 . SER 38 38 50904 1 . LYS 39 39 50904 1 . MET 40 40 50904 1 . GLN 41 41 50904 1 . ASP 42 42 50904 1 . THR 43 43 50904 1 . MET 44 44 50904 1 . GLU 45 45 50904 1 . GLU 46 46 50904 1 . ASN 47 47 50904 1 . SER 48 48 50904 1 . GLU 49 49 50904 1 . SER 50 50 50904 1 . ALA 51 51 50904 1 . LEU 52 52 50904 1 . ARG 53 53 50904 1 . LYS 54 54 50904 1 . ARG 55 55 50904 1 . ILE 56 56 50904 1 . ARG 57 57 50904 1 . GLU 58 58 50904 1 . ASP 59 59 50904 1 . ARG 60 60 50904 1 . LYS 61 61 50904 1 . ALA 62 62 50904 1 . THR 63 63 50904 1 . THR 64 64 50904 1 . ALA 65 65 50904 1 . GLN 66 66 50904 1 . LYS 67 67 50904 1 . VAL 68 68 50904 1 . GLN 69 69 50904 1 . GLN 70 70 50904 1 . MET 71 71 50904 1 . LYS 72 72 50904 1 . GLN 73 73 50904 1 . ARG 74 74 50904 1 . LEU 75 75 50904 1 . ASN 76 76 50904 1 . GLU 77 77 50904 1 . ASN 78 78 50904 1 . GLU 79 79 50904 1 . ARG 80 80 50904 1 . LYS 81 81 50904 1 . ARG 82 82 50904 1 . LYS 83 83 50904 1 . ARG 84 84 50904 1 . PRO 85 85 50904 1 . ARG 86 86 50904 1 . LEU 87 87 50904 1 . THR 88 88 50904 1 . ASP 89 89 50904 1 . THR 90 90 50904 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 50904 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50904 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 50904 _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 . . pTHMT . . . 50904 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50904 _Sample.ID 1 _Sample.Name TCPTP_WT_303-387 _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 'TCPTP residues 303-387' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 600 . . uM . . . . 50904 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 50904 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 50904 1 4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 50904 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 50904 _Sample_condition_list.ID 1 _Sample_condition_list.Name condition_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 50904 1 pH 6.8 . pH 50904 1 pressure 1 . atm 50904 1 temperature 283 . K 50904 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50904 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50904 1 processing . 50904 1 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50904 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50904 2 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50904 _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50904 3 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 50904 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name Bruker_600 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _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 50904 _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 . . . . . . . . . . . . . . . . . 50904 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50904 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50904 1 4 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50904 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50904 1 6 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50904 1 7 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50904 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 50904 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name reference_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 0.00 na indirect 0.251449530 . . . . . 50904 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50904 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50904 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 50904 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'TCPTP residues 303-387' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50904 1 2 '3D HNCA' . . . 50904 1 3 '3D HNCACB' . . . 50904 1 4 '3D HN(CO)CA' . . . 50904 1 5 '3D CBCA(CO)NH' . . . 50904 1 6 '3D HNCO' . . . 50904 1 7 '3D HN(CA)CO' . . . 50904 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 . . 50904 1 2 $software_3 . . 50904 1 3 $software_2 . . 50904 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 3 3 MET H H 1 8.406 0.020 . 1 . . . . . 3 MET H . 50904 1 2 . 1 . 1 3 3 MET C C 13 176.931 0.3 . 1 . . . . . 3 MET C . 50904 1 3 . 1 . 1 3 3 MET CA C 13 55.904 0.3 . 1 . . . . . 3 MET CA . 50904 1 4 . 1 . 1 3 3 MET CB C 13 32.644 0.3 . 1 . . . . . 3 MET CB . 50904 1 5 . 1 . 1 3 3 MET N N 15 122.692 0.2 . 1 . . . . . 3 MET N . 50904 1 6 . 1 . 1 4 4 GLY H H 1 8.305 0.020 . 1 . . . . . 4 GLY H . 50904 1 7 . 1 . 1 4 4 GLY C C 13 174.41 0.3 . 1 . . . . . 4 GLY C . 50904 1 8 . 1 . 1 4 4 GLY CA C 13 45.509 0.3 . 1 . . . . . 4 GLY CA . 50904 1 9 . 1 . 1 4 4 GLY N N 15 110.368 0.2 . 1 . . . . . 4 GLY N . 50904 1 10 . 1 . 1 5 5 SER H H 1 8.072 0.020 . 1 . . . . . 5 SER H . 50904 1 11 . 1 . 1 5 5 SER C C 13 174.55 0.3 . 1 . . . . . 5 SER C . 50904 1 12 . 1 . 1 5 5 SER CA C 13 58.631 0.3 . 1 . . . . . 5 SER CA . 50904 1 13 . 1 . 1 5 5 SER CB C 13 63.931 0.3 . 1 . . . . . 5 SER CB . 50904 1 14 . 1 . 1 5 5 SER N N 15 115.507 0.2 . 1 . . . . . 5 SER N . 50904 1 15 . 1 . 1 7 7 SER H H 1 8.138 0.020 . 1 . . . . . 7 SER H . 50904 1 16 . 1 . 1 7 7 SER C C 13 173.017 0.3 . 1 . . . . . 7 SER C . 50904 1 17 . 1 . 1 7 7 SER CA C 13 56.521 0.3 . 1 . . . . . 7 SER CA . 50904 1 18 . 1 . 1 7 7 SER CB C 13 63.674 0.3 . 1 . . . . . 7 SER CB . 50904 1 19 . 1 . 1 7 7 SER N N 15 118.565 0.2 . 1 . . . . . 7 SER N . 50904 1 20 . 1 . 1 9 9 ASN H H 1 8.246 0.020 . 1 . . . . . 9 ASN H . 50904 1 21 . 1 . 1 9 9 ASN C C 13 175.431 0.3 . 1 . . . . . 9 ASN C . 50904 1 22 . 1 . 1 9 9 ASN CA C 13 53.536 0.3 . 1 . . . . . 9 ASN CA . 50904 1 23 . 1 . 1 9 9 ASN CB C 13 38.871 0.3 . 1 . . . . . 9 ASN CB . 50904 1 24 . 1 . 1 9 9 ASN N N 15 118.406 0.2 . 1 . . . . . 9 ASN N . 50904 1 25 . 1 . 1 10 10 LYS H H 1 8.045 0.020 . 1 . . . . . 10 LYS H . 50904 1 26 . 1 . 1 10 10 LYS C C 13 176.56 0.3 . 1 . . . . . 10 LYS C . 50904 1 27 . 1 . 1 10 10 LYS CA C 13 56.675 0.3 . 1 . . . . . 10 LYS CA . 50904 1 28 . 1 . 1 10 10 LYS CB C 13 33.159 0.3 . 1 . . . . . 10 LYS CB . 50904 1 29 . 1 . 1 10 10 LYS N N 15 122.029 0.2 . 1 . . . . . 10 LYS N . 50904 1 30 . 1 . 1 11 11 ILE H H 1 8.036 0.020 . 1 . . . . . 11 ILE H . 50904 1 31 . 1 . 1 11 11 ILE C C 13 176.667 0.3 . 1 . . . . . 11 ILE C . 50904 1 32 . 1 . 1 11 11 ILE CA C 13 61.821 0.3 . 1 . . . . . 11 ILE CA . 50904 1 33 . 1 . 1 11 11 ILE CB C 13 38.562 0.3 . 1 . . . . . 11 ILE CB . 50904 1 34 . 1 . 1 11 11 ILE N N 15 122.459 0.2 . 1 . . . . . 11 ILE N . 50904 1 35 . 1 . 1 12 12 MET H H 1 8.334 0.020 . 1 . . . . . 12 MET H . 50904 1 36 . 1 . 1 12 12 MET C C 13 176.692 0.3 . 1 . . . . . 12 MET C . 50904 1 37 . 1 . 1 12 12 MET CA C 13 55.646 0.3 . 1 . . . . . 12 MET CA . 50904 1 38 . 1 . 1 12 12 MET CB C 13 32.85 0.3 . 1 . . . . . 12 MET CB . 50904 1 39 . 1 . 1 12 12 MET N N 15 124.778 0.2 . 1 . . . . . 12 MET N . 50904 1 40 . 1 . 1 13 13 THR H H 1 7.956 0.020 . 1 . . . . . 13 THR H . 50904 1 41 . 1 . 1 13 13 THR C C 13 174.846 0.3 . 1 . . . . . 13 THR C . 50904 1 42 . 1 . 1 13 13 THR CA C 13 62.336 0.3 . 1 . . . . . 13 THR CA . 50904 1 43 . 1 . 1 13 13 THR CB C 13 70.003 0.3 . 1 . . . . . 13 THR CB . 50904 1 44 . 1 . 1 13 13 THR N N 15 115.373 0.2 . 1 . . . . . 13 THR N . 50904 1 45 . 1 . 1 14 14 GLU H H 1 8.233 0.020 . 1 . . . . . 14 GLU H . 50904 1 46 . 1 . 1 14 14 GLU C C 13 176.955 0.3 . 1 . . . . . 14 GLU C . 50904 1 47 . 1 . 1 14 14 GLU CA C 13 56.161 0.3 . 1 . . . . . 14 GLU CA . 50904 1 48 . 1 . 1 14 14 GLU CB C 13 32.901 0.3 . 1 . . . . . 14 GLU CB . 50904 1 49 . 1 . 1 14 14 GLU N N 15 122.087 0.2 . 1 . . . . . 14 GLU N . 50904 1 50 . 1 . 1 15 15 LYS H H 1 8.233 0.020 . 1 . . . . . 15 LYS H . 50904 1 51 . 1 . 1 15 15 LYS C C 13 177.112 0.3 . 1 . . . . . 15 LYS C . 50904 1 52 . 1 . 1 15 15 LYS CA C 13 57.139 0.3 . 1 . . . . . 15 LYS CA . 50904 1 53 . 1 . 1 15 15 LYS CB C 13 32.953 0.3 . 1 . . . . . 15 LYS CB . 50904 1 54 . 1 . 1 15 15 LYS N N 15 121.997 0.2 . 1 . . . . . 15 LYS N . 50904 1 55 . 1 . 1 16 16 TYR H H 1 8.133 0.020 . 1 . . . . . 16 TYR H . 50904 1 56 . 1 . 1 16 16 TYR C C 13 175.917 0.3 . 1 . . . . . 16 TYR C . 50904 1 57 . 1 . 1 16 16 TYR CA C 13 58.425 0.3 . 1 . . . . . 16 TYR CA . 50904 1 58 . 1 . 1 16 16 TYR CB C 13 38.973 0.3 . 1 . . . . . 16 TYR CB . 50904 1 59 . 1 . 1 16 16 TYR N N 15 121.514 0.2 . 1 . . . . . 16 TYR N . 50904 1 60 . 1 . 1 17 17 ASN H H 1 8.182 0.020 . 1 . . . . . 17 ASN H . 50904 1 61 . 1 . 1 17 17 ASN C C 13 175.827 0.3 . 1 . . . . . 17 ASN C . 50904 1 62 . 1 . 1 17 17 ASN CA C 13 53.176 0.3 . 1 . . . . . 17 ASN CA . 50904 1 63 . 1 . 1 17 17 ASN CB C 13 39.128 0.3 . 1 . . . . . 17 ASN CB . 50904 1 64 . 1 . 1 17 17 ASN N N 15 122.076 0.2 . 1 . . . . . 17 ASN N . 50904 1 65 . 1 . 1 18 18 GLY H H 1 7.511 0.020 . 1 . . . . . 18 GLY H . 50904 1 66 . 1 . 1 18 18 GLY C C 13 174.096 0.3 . 1 . . . . . 18 GLY C . 50904 1 67 . 1 . 1 18 18 GLY CA C 13 45.663 0.3 . 1 . . . . . 18 GLY CA . 50904 1 68 . 1 . 1 18 18 GLY N N 15 108.43 0.2 . 1 . . . . . 18 GLY N . 50904 1 69 . 1 . 1 19 19 ASN H H 1 8.099 0.020 . 1 . . . . . 19 ASN H . 50904 1 70 . 1 . 1 19 19 ASN C C 13 175.497 0.3 . 1 . . . . . 19 ASN C . 50904 1 71 . 1 . 1 19 19 ASN CA C 13 53.382 0.3 . 1 . . . . . 19 ASN CA . 50904 1 72 . 1 . 1 19 19 ASN CB C 13 39.076 0.3 . 1 . . . . . 19 ASN CB . 50904 1 73 . 1 . 1 19 19 ASN N N 15 118.131 0.2 . 1 . . . . . 19 ASN N . 50904 1 74 . 1 . 1 20 20 ARG H H 1 8.109 0.020 . 1 . . . . . 20 ARG H . 50904 1 75 . 1 . 1 20 20 ARG C C 13 176.478 0.3 . 1 . . . . . 20 ARG C . 50904 1 76 . 1 . 1 20 20 ARG CA C 13 56.572 0.3 . 1 . . . . . 20 ARG CA . 50904 1 77 . 1 . 1 20 20 ARG CB C 13 30.894 0.3 . 1 . . . . . 20 ARG CB . 50904 1 78 . 1 . 1 20 20 ARG N N 15 121.261 0.2 . 1 . . . . . 20 ARG N . 50904 1 79 . 1 . 1 21 21 ILE H H 1 8.036 0.020 . 1 . . . . . 21 ILE H . 50904 1 80 . 1 . 1 21 21 ILE CA C 13 61.77 0.3 . 1 . . . . . 21 ILE CA . 50904 1 81 . 1 . 1 21 21 ILE CB C 13 38.716 0.3 . 1 . . . . . 21 ILE CB . 50904 1 82 . 1 . 1 21 21 ILE N N 15 122.266 0.2 . 1 . . . . . 21 ILE N . 50904 1 83 . 1 . 1 22 22 GLY H H 1 8.397 0.020 . 1 . . . . . 22 GLY H . 50904 1 84 . 1 . 1 22 22 GLY C C 13 174.451 0.3 . 1 . . . . . 22 GLY C . 50904 1 85 . 1 . 1 22 22 GLY CA C 13 45.56 0.3 . 1 . . . . . 22 GLY CA . 50904 1 86 . 1 . 1 22 22 GLY N N 15 113.197 0.2 . 1 . . . . . 22 GLY N . 50904 1 87 . 1 . 1 23 23 LEU H H 1 7.988 0.020 . 1 . . . . . 23 LEU H . 50904 1 88 . 1 . 1 23 23 LEU C C 13 178.084 0.3 . 1 . . . . . 23 LEU C . 50904 1 89 . 1 . 1 23 23 LEU CA C 13 55.595 0.3 . 1 . . . . . 23 LEU CA . 50904 1 90 . 1 . 1 23 23 LEU CB C 13 42.73 0.3 . 1 . . . . . 23 LEU CB . 50904 1 91 . 1 . 1 23 23 LEU N N 15 121.525 0.2 . 1 . . . . . 23 LEU N . 50904 1 92 . 1 . 1 24 24 GLU H H 1 8.377 0.020 . 1 . . . . . 24 GLU H . 50904 1 93 . 1 . 1 24 24 GLU C C 13 177.211 0.3 . 1 . . . . . 24 GLU C . 50904 1 94 . 1 . 1 24 24 GLU CA C 13 57.241 0.3 . 1 . . . . . 24 GLU CA . 50904 1 95 . 1 . 1 24 24 GLU CB C 13 30.225 0.3 . 1 . . . . . 24 GLU CB . 50904 1 96 . 1 . 1 24 24 GLU N N 15 121.16 0.2 . 1 . . . . . 24 GLU N . 50904 1 97 . 1 . 1 25 25 GLU H H 1 8.339 0.020 . 1 . . . . . 25 GLU H . 50904 1 98 . 1 . 1 25 25 GLU C C 13 176.766 0.3 . 1 . . . . . 25 GLU C . 50904 1 99 . 1 . 1 25 25 GLU CA C 13 57.19 0.3 . 1 . . . . . 25 GLU CA . 50904 1 100 . 1 . 1 25 25 GLU CB C 13 30.431 0.3 . 1 . . . . . 25 GLU CB . 50904 1 101 . 1 . 1 25 25 GLU N N 15 122.091 0.2 . 1 . . . . . 25 GLU N . 50904 1 102 . 1 . 1 26 26 GLU H H 1 8.251 0.020 . 1 . . . . . 26 GLU H . 50904 1 103 . 1 . 1 26 26 GLU CA C 13 57.087 0.3 . 1 . . . . . 26 GLU CA . 50904 1 104 . 1 . 1 26 26 GLU CB C 13 30.534 0.3 . 1 . . . . . 26 GLU CB . 50904 1 105 . 1 . 1 26 26 GLU N N 15 121.977 0.2 . 1 . . . . . 26 GLU N . 50904 1 106 . 1 . 1 27 27 LYS H H 1 8.125 0.020 . 1 . . . . . 27 LYS H . 50904 1 107 . 1 . 1 27 27 LYS C C 13 176.972 0.3 . 1 . . . . . 27 LYS C . 50904 1 108 . 1 . 1 27 27 LYS CA C 13 56.727 0.3 . 1 . . . . . 27 LYS CA . 50904 1 109 . 1 . 1 27 27 LYS CB C 13 33.107 0.3 . 1 . . . . . 27 LYS CB . 50904 1 110 . 1 . 1 27 27 LYS N N 15 122.165 0.2 . 1 . . . . . 27 LYS N . 50904 1 111 . 1 . 1 28 28 LEU H H 1 8.155 0.020 . 1 . . . . . 28 LEU H . 50904 1 112 . 1 . 1 28 28 LEU C C 13 177.952 0.3 . 1 . . . . . 28 LEU C . 50904 1 113 . 1 . 1 28 28 LEU CA C 13 55.337 0.3 . 1 . . . . . 28 LEU CA . 50904 1 114 . 1 . 1 28 28 LEU CB C 13 42.318 0.3 . 1 . . . . . 28 LEU CB . 50904 1 115 . 1 . 1 28 28 LEU N N 15 122.991 0.2 . 1 . . . . . 28 LEU N . 50904 1 116 . 1 . 1 29 29 THR H H 1 7.91 0.020 . 1 . . . . . 29 THR H . 50904 1 117 . 1 . 1 29 29 THR C C 13 175.497 0.3 . 1 . . . . . 29 THR C . 50904 1 118 . 1 . 1 29 29 THR CA C 13 62.182 0.3 . 1 . . . . . 29 THR CA . 50904 1 119 . 1 . 1 29 29 THR CB C 13 70.209 0.3 . 1 . . . . . 29 THR CB . 50904 1 120 . 1 . 1 29 29 THR N N 15 113.569 0.2 . 1 . . . . . 29 THR N . 50904 1 121 . 1 . 1 30 30 GLY H H 1 8.208 0.020 . 1 . . . . . 30 GLY H . 50904 1 122 . 1 . 1 30 30 GLY C C 13 174.352 0.3 . 1 . . . . . 30 GLY C . 50904 1 123 . 1 . 1 30 30 GLY CA C 13 45.612 0.3 . 1 . . . . . 30 GLY CA . 50904 1 124 . 1 . 1 30 30 GLY N N 15 110.505 0.2 . 1 . . . . . 30 GLY N . 50904 1 125 . 1 . 1 31 31 ASP H H 1 8.163 0.020 . 1 . . . . . 31 ASP H . 50904 1 126 . 1 . 1 31 31 ASP C C 13 176.848 0.3 . 1 . . . . . 31 ASP C . 50904 1 127 . 1 . 1 31 31 ASP CA C 13 54.874 0.3 . 1 . . . . . 31 ASP CA . 50904 1 128 . 1 . 1 31 31 ASP CB C 13 41.392 0.3 . 1 . . . . . 31 ASP CB . 50904 1 129 . 1 . 1 31 31 ASP N N 15 120.603 0.2 . 1 . . . . . 31 ASP N . 50904 1 130 . 1 . 1 32 32 ARG H H 1 8.162 0.020 . 1 . . . . . 32 ARG H . 50904 1 131 . 1 . 1 32 32 ARG CA C 13 56.47 0.3 . 1 . . . . . 32 ARG CA . 50904 1 132 . 1 . 1 32 32 ARG CB C 13 30.843 0.3 . 1 . . . . . 32 ARG CB . 50904 1 133 . 1 . 1 32 32 ARG N N 15 120.712 0.2 . 1 . . . . . 32 ARG N . 50904 1 134 . 1 . 1 33 33 CYS H H 1 8.268 0.020 . 1 . . . . . 33 CYS H . 50904 1 135 . 1 . 1 33 33 CYS C C 13 175.514 0.3 . 1 . . . . . 33 CYS C . 50904 1 136 . 1 . 1 33 33 CYS CA C 13 59.145 0.3 . 1 . . . . . 33 CYS CA . 50904 1 137 . 1 . 1 33 33 CYS CB C 13 28.013 0.3 . 1 . . . . . 33 CYS CB . 50904 1 138 . 1 . 1 33 33 CYS N N 15 119.856 0.2 . 1 . . . . . 33 CYS N . 50904 1 139 . 1 . 1 34 34 THR H H 1 8.111 0.020 . 1 . . . . . 34 THR H . 50904 1 140 . 1 . 1 34 34 THR C C 13 175.547 0.3 . 1 . . . . . 34 THR C . 50904 1 141 . 1 . 1 34 34 THR CA C 13 62.51 0.3 . 1 . . . . . 34 THR CA . 50904 1 142 . 1 . 1 34 34 THR CB C 13 70.003 0.3 . 1 . . . . . 34 THR CB . 50904 1 143 . 1 . 1 34 34 THR N N 15 115.821 0.2 . 1 . . . . . 34 THR N . 50904 1 144 . 1 . 1 35 35 GLY H H 1 8.275 0.020 . 1 . . . . . 35 GLY H . 50904 1 145 . 1 . 1 35 35 GLY C C 13 174.533 0.3 . 1 . . . . . 35 GLY C . 50904 1 146 . 1 . 1 35 35 GLY CA C 13 45.56 0.3 . 1 . . . . . 35 GLY CA . 50904 1 147 . 1 . 1 35 35 GLY N N 15 111.119 0.2 . 1 . . . . . 35 GLY N . 50904 1 148 . 1 . 1 36 36 LEU H H 1 7.926 0.020 . 1 . . . . . 36 LEU H . 50904 1 149 . 1 . 1 36 36 LEU C C 13 178.068 0.3 . 1 . . . . . 36 LEU C . 50904 1 150 . 1 . 1 36 36 LEU CA C 13 55.595 0.3 . 1 . . . . . 36 LEU CA . 50904 1 151 . 1 . 1 36 36 LEU CB C 13 42.627 0.3 . 1 . . . . . 36 LEU CB . 50904 1 152 . 1 . 1 36 36 LEU N N 15 121.465 0.2 . 1 . . . . . 36 LEU N . 50904 1 153 . 1 . 1 37 37 SER H H 1 8.219 0.020 . 1 . . . . . 37 SER H . 50904 1 154 . 1 . 1 37 37 SER C C 13 175.168 0.3 . 1 . . . . . 37 SER C . 50904 1 155 . 1 . 1 37 37 SER CA C 13 58.631 0.3 . 1 . . . . . 37 SER CA . 50904 1 156 . 1 . 1 37 37 SER CB C 13 63.983 0.3 . 1 . . . . . 37 SER CB . 50904 1 157 . 1 . 1 37 37 SER N N 15 116.47 0.2 . 1 . . . . . 37 SER N . 50904 1 158 . 1 . 1 38 38 SER H H 1 8.187 0.020 . 1 . . . . . 38 SER H . 50904 1 159 . 1 . 1 38 38 SER C C 13 174.904 0.3 . 1 . . . . . 38 SER C . 50904 1 160 . 1 . 1 38 38 SER CA C 13 58.837 0.3 . 1 . . . . . 38 SER CA . 50904 1 161 . 1 . 1 38 38 SER CB C 13 63.931 0.3 . 1 . . . . . 38 SER CB . 50904 1 162 . 1 . 1 38 38 SER N N 15 117.841 0.2 . 1 . . . . . 38 SER N . 50904 1 163 . 1 . 1 39 39 LYS H H 1 8.085 0.020 . 1 . . . . . 39 LYS H . 50904 1 164 . 1 . 1 39 39 LYS C C 13 177.186 0.3 . 1 . . . . . 39 LYS C . 50904 1 165 . 1 . 1 39 39 LYS CA C 13 56.675 0.3 . 1 . . . . . 39 LYS CA . 50904 1 166 . 1 . 1 39 39 LYS CB C 13 33.107 0.3 . 1 . . . . . 39 LYS CB . 50904 1 167 . 1 . 1 39 39 LYS N N 15 122.604 0.2 . 1 . . . . . 39 LYS N . 50904 1 168 . 1 . 1 40 40 MET H H 1 8.168 0.020 . 1 . . . . . 40 MET H . 50904 1 169 . 1 . 1 40 40 MET C C 13 176.733 0.3 . 1 . . . . . 40 MET C . 50904 1 170 . 1 . 1 40 40 MET CA C 13 56.315 0.3 . 1 . . . . . 40 MET CA . 50904 1 171 . 1 . 1 40 40 MET CB C 13 32.953 0.3 . 1 . . . . . 40 MET CB . 50904 1 172 . 1 . 1 40 40 MET N N 15 121.22 0.2 . 1 . . . . . 40 MET N . 50904 1 173 . 1 . 1 41 41 GLN H H 1 8.216 0.020 . 1 . . . . . 41 GLN H . 50904 1 174 . 1 . 1 41 41 GLN C C 13 176.115 0.3 . 1 . . . . . 41 GLN C . 50904 1 175 . 1 . 1 41 41 GLN CA C 13 56.315 0.3 . 1 . . . . . 41 GLN CA . 50904 1 176 . 1 . 1 41 41 GLN CB C 13 29.711 0.3 . 1 . . . . . 41 GLN CB . 50904 1 177 . 1 . 1 41 41 GLN N N 15 121.116 0.2 . 1 . . . . . 41 GLN N . 50904 1 178 . 1 . 1 42 42 ASP H H 1 8.263 0.020 . 1 . . . . . 42 ASP H . 50904 1 179 . 1 . 1 42 42 ASP CA C 13 54.977 0.3 . 1 . . . . . 42 ASP CA . 50904 1 180 . 1 . 1 42 42 ASP CB C 13 41.341 0.3 . 1 . . . . . 42 ASP CB . 50904 1 181 . 1 . 1 42 42 ASP N N 15 121.592 0.2 . 1 . . . . . 42 ASP N . 50904 1 182 . 1 . 1 43 43 THR H H 1 7.951 0.020 . 1 . . . . . 43 THR H . 50904 1 183 . 1 . 1 43 43 THR C C 13 175.085 0.3 . 1 . . . . . 43 THR C . 50904 1 184 . 1 . 1 43 43 THR CA C 13 62.439 0.3 . 1 . . . . . 43 THR CA . 50904 1 185 . 1 . 1 43 43 THR CB C 13 69.952 0.3 . 1 . . . . . 43 THR CB . 50904 1 186 . 1 . 1 43 43 THR N N 15 114.055 0.2 . 1 . . . . . 43 THR N . 50904 1 187 . 1 . 1 44 44 MET H H 1 8.261 0.020 . 1 . . . . . 44 MET H . 50904 1 188 . 1 . 1 44 44 MET C C 13 176.684 0.3 . 1 . . . . . 44 MET C . 50904 1 189 . 1 . 1 44 44 MET CA C 13 56.83 0.3 . 1 . . . . . 44 MET CA . 50904 1 190 . 1 . 1 44 44 MET CB C 13 30.586 0.3 . 1 . . . . . 44 MET CB . 50904 1 191 . 1 . 1 44 44 MET N N 15 123.207 0.2 . 1 . . . . . 44 MET N . 50904 1 192 . 1 . 1 46 46 GLU H H 1 8.263 0.020 . 1 . . . . . 46 GLU H . 50904 1 193 . 1 . 1 46 46 GLU C C 13 177.128 0.3 . 1 . . . . . 46 GLU C . 50904 1 194 . 1 . 1 46 46 GLU CA C 13 56.933 0.3 . 1 . . . . . 46 GLU CA . 50904 1 195 . 1 . 1 46 46 GLU CB C 13 30.225 0.3 . 1 . . . . . 46 GLU CB . 50904 1 196 . 1 . 1 46 46 GLU N N 15 121.51 0.2 . 1 . . . . . 46 GLU N . 50904 1 197 . 1 . 1 47 47 ASN H H 1 8.324 0.020 . 1 . . . . . 47 ASN H . 50904 1 198 . 1 . 1 47 47 ASN C C 13 175.901 0.3 . 1 . . . . . 47 ASN C . 50904 1 199 . 1 . 1 47 47 ASN CA C 13 53.588 0.3 . 1 . . . . . 47 ASN CA . 50904 1 200 . 1 . 1 47 47 ASN CB C 13 39.128 0.3 . 1 . . . . . 47 ASN CB . 50904 1 201 . 1 . 1 47 47 ASN N N 15 119.398 0.2 . 1 . . . . . 47 ASN N . 50904 1 202 . 1 . 1 48 48 SER H H 1 8.11 0.020 . 1 . . . . . 48 SER H . 50904 1 203 . 1 . 1 48 48 SER CA C 13 59.814 0.3 . 1 . . . . . 48 SER CA . 50904 1 204 . 1 . 1 48 48 SER CB C 13 63.931 0.3 . 1 . . . . . 48 SER CB . 50904 1 205 . 1 . 1 48 48 SER N N 15 116.379 0.2 . 1 . . . . . 48 SER N . 50904 1 206 . 1 . 1 49 49 GLU H H 1 8.369 0.020 . 1 . . . . . 49 GLU H . 50904 1 207 . 1 . 1 49 49 GLU C C 13 178.092 0.3 . 1 . . . . . 49 GLU C . 50904 1 208 . 1 . 1 49 49 GLU CA C 13 58.374 0.3 . 1 . . . . . 49 GLU CA . 50904 1 209 . 1 . 1 49 49 GLU CB C 13 29.917 0.3 . 1 . . . . . 49 GLU CB . 50904 1 210 . 1 . 1 49 49 GLU N N 15 122.575 0.2 . 1 . . . . . 49 GLU N . 50904 1 211 . 1 . 1 50 50 SER H H 1 8.111 0.020 . 1 . . . . . 50 SER H . 50904 1 212 . 1 . 1 50 50 SER CA C 13 60.254 0.3 . 1 . . . . . 50 SER CA . 50904 1 213 . 1 . 1 50 50 SER CB C 13 63.519 0.3 . 1 . . . . . 50 SER CB . 50904 1 214 . 1 . 1 50 50 SER N N 15 115.739 0.2 . 1 . . . . . 50 SER N . 50904 1 215 . 1 . 1 51 51 ALA H H 1 8.048 0.020 . 1 . . . . . 51 ALA H . 50904 1 216 . 1 . 1 51 51 ALA C C 13 179.897 0.3 . 1 . . . . . 51 ALA C . 50904 1 217 . 1 . 1 51 51 ALA CA C 13 54.72 0.3 . 1 . . . . . 51 ALA CA . 50904 1 218 . 1 . 1 51 51 ALA CB C 13 18.698 0.3 . 1 . . . . . 51 ALA CB . 50904 1 219 . 1 . 1 51 51 ALA N N 15 125.098 0.2 . 1 . . . . . 51 ALA N . 50904 1 220 . 1 . 1 52 52 LEU H H 1 7.809 0.020 . 1 . . . . . 52 LEU H . 50904 1 221 . 1 . 1 52 52 LEU C C 13 178.694 0.3 . 1 . . . . . 52 LEU C . 50904 1 222 . 1 . 1 52 52 LEU CA C 13 57.19 0.3 . 1 . . . . . 52 LEU CA . 50904 1 223 . 1 . 1 52 52 LEU CB C 13 42.112 0.3 . 1 . . . . . 52 LEU CB . 50904 1 224 . 1 . 1 52 52 LEU N N 15 119.538 0.2 . 1 . . . . . 52 LEU N . 50904 1 225 . 1 . 1 53 53 ARG H H 1 7.744 0.020 . 1 . . . . . 53 ARG H . 50904 1 226 . 1 . 1 53 53 ARG C C 13 178.125 0.3 . 1 . . . . . 53 ARG C . 50904 1 227 . 1 . 1 53 53 ARG CA C 13 58.322 0.3 . 1 . . . . . 53 ARG CA . 50904 1 228 . 1 . 1 53 53 ARG CB C 13 30.534 0.3 . 1 . . . . . 53 ARG CB . 50904 1 229 . 1 . 1 53 53 ARG N N 15 118.788 0.2 . 1 . . . . . 53 ARG N . 50904 1 230 . 1 . 1 54 54 LYS H H 1 7.8 0.020 . 1 . . . . . 54 LYS H . 50904 1 231 . 1 . 1 54 54 LYS C C 13 177.59 0.3 . 1 . . . . . 54 LYS C . 50904 1 232 . 1 . 1 54 54 LYS CA C 13 58.168 0.3 . 1 . . . . . 54 LYS CA . 50904 1 233 . 1 . 1 54 54 LYS CB C 13 33.004 0.3 . 1 . . . . . 54 LYS CB . 50904 1 234 . 1 . 1 54 54 LYS N N 15 120.311 0.2 . 1 . . . . . 54 LYS N . 50904 1 235 . 1 . 1 55 55 ARG H H 1 7.81 0.020 . 1 . . . . . 55 ARG H . 50904 1 236 . 1 . 1 55 55 ARG C C 13 177.606 0.3 . 1 . . . . . 55 ARG C . 50904 1 237 . 1 . 1 55 55 ARG CA C 13 58.1 0.3 . 1 . . . . . 55 ARG CA . 50904 1 238 . 1 . 1 55 55 ARG CB C 13 30.791 0.3 . 1 . . . . . 55 ARG CB . 50904 1 239 . 1 . 1 55 55 ARG N N 15 120.439 0.2 . 1 . . . . . 55 ARG N . 50904 1 240 . 1 . 1 56 56 ILE H H 1 7.942 0.020 . 1 . . . . . 56 ILE H . 50904 1 241 . 1 . 1 56 56 ILE C C 13 177.648 0.3 . 1 . . . . . 56 ILE C . 50904 1 242 . 1 . 1 56 56 ILE CA C 13 63.108 0.3 . 1 . . . . . 56 ILE CA . 50904 1 243 . 1 . 1 56 56 ILE CB C 13 38.613 0.3 . 1 . . . . . 56 ILE CB . 50904 1 244 . 1 . 1 56 56 ILE N N 15 120.684 0.2 . 1 . . . . . 56 ILE N . 50904 1 245 . 1 . 1 57 57 ARG H H 1 7.954 0.020 . 1 . . . . . 57 ARG H . 50904 1 246 . 1 . 1 57 57 ARG C C 13 177.779 0.3 . 1 . . . . . 57 ARG C . 50904 1 247 . 1 . 1 57 57 ARG CA C 13 57.91 0.3 . 1 . . . . . 57 ARG CA . 50904 1 248 . 1 . 1 57 57 ARG CB C 13 30.843 0.3 . 1 . . . . . 57 ARG CB . 50904 1 249 . 1 . 1 57 57 ARG N N 15 122.515 0.2 . 1 . . . . . 57 ARG N . 50904 1 250 . 1 . 1 60 60 ARG H H 1 8.013 0.020 . 1 . . . . . 60 ARG H . 50904 1 251 . 1 . 1 60 60 ARG C C 13 177.54 0.3 . 1 . . . . . 60 ARG C . 50904 1 252 . 1 . 1 60 60 ARG CA C 13 57.447 0.3 . 1 . . . . . 60 ARG CA . 50904 1 253 . 1 . 1 60 60 ARG CB C 13 30.688 0.3 . 1 . . . . . 60 ARG CB . 50904 1 254 . 1 . 1 60 60 ARG N N 15 121.145 0.2 . 1 . . . . . 60 ARG N . 50904 1 255 . 1 . 1 62 62 ALA H H 1 8.008 0.020 . 1 . . . . . 62 ALA H . 50904 1 256 . 1 . 1 62 62 ALA C C 13 179.048 0.3 . 1 . . . . . 62 ALA C . 50904 1 257 . 1 . 1 62 62 ALA CA C 13 53.331 0.3 . 1 . . . . . 62 ALA CA . 50904 1 258 . 1 . 1 62 62 ALA CB C 13 19.265 0.3 . 1 . . . . . 62 ALA CB . 50904 1 259 . 1 . 1 62 62 ALA N N 15 124.048 0.2 . 1 . . . . . 62 ALA N . 50904 1 260 . 1 . 1 63 63 THR H H 1 8.068 0.020 . 1 . . . . . 63 THR H . 50904 1 261 . 1 . 1 63 63 THR C C 13 175.843 0.3 . 1 . . . . . 63 THR C . 50904 1 262 . 1 . 1 63 63 THR CA C 13 63.005 0.3 . 1 . . . . . 63 THR CA . 50904 1 263 . 1 . 1 63 63 THR CB C 13 69.9 0.3 . 1 . . . . . 63 THR CB . 50904 1 264 . 1 . 1 63 63 THR N N 15 113.536 0.2 . 1 . . . . . 63 THR N . 50904 1 265 . 1 . 1 64 64 THR H H 1 8.033 0.020 . 1 . . . . . 64 THR H . 50904 1 266 . 1 . 1 64 64 THR C C 13 175.192 0.3 . 1 . . . . . 64 THR C . 50904 1 267 . 1 . 1 64 64 THR CA C 13 63.931 0.3 . 1 . . . . . 64 THR CA . 50904 1 268 . 1 . 1 64 64 THR CB C 13 69.798 0.3 . 1 . . . . . 64 THR CB . 50904 1 269 . 1 . 1 64 64 THR N N 15 116.899 0.2 . 1 . . . . . 64 THR N . 50904 1 270 . 1 . 1 65 65 ALA H H 1 8.112 0.020 . 1 . . . . . 65 ALA H . 50904 1 271 . 1 . 1 65 65 ALA C C 13 179.271 0.3 . 1 . . . . . 65 ALA C . 50904 1 272 . 1 . 1 65 65 ALA CA C 13 54.102 0.3 . 1 . . . . . 65 ALA CA . 50904 1 273 . 1 . 1 65 65 ALA CB C 13 18.853 0.3 . 1 . . . . . 65 ALA CB . 50904 1 274 . 1 . 1 65 65 ALA N N 15 124.852 0.2 . 1 . . . . . 65 ALA N . 50904 1 275 . 1 . 1 66 66 GLN H H 1 8.021 0.020 . 1 . . . . . 66 GLN H . 50904 1 276 . 1 . 1 66 66 GLN C C 13 177.409 0.3 . 1 . . . . . 66 GLN C . 50904 1 277 . 1 . 1 66 66 GLN CA C 13 57.344 0.3 . 1 . . . . . 66 GLN CA . 50904 1 278 . 1 . 1 66 66 GLN CB C 13 29.248 0.3 . 1 . . . . . 66 GLN CB . 50904 1 279 . 1 . 1 66 66 GLN N N 15 119.126 0.2 . 1 . . . . . 66 GLN N . 50904 1 280 . 1 . 1 68 68 VAL H H 1 7.997 0.020 . 1 . . . . . 68 VAL H . 50904 1 281 . 1 . 1 68 68 VAL C C 13 177.516 0.3 . 1 . . . . . 68 VAL C . 50904 1 282 . 1 . 1 68 68 VAL CA C 13 64.343 0.3 . 1 . . . . . 68 VAL CA . 50904 1 283 . 1 . 1 68 68 VAL CB C 13 32.747 0.3 . 1 . . . . . 68 VAL CB . 50904 1 284 . 1 . 1 68 68 VAL N N 15 121.093 0.2 . 1 . . . . . 68 VAL N . 50904 1 285 . 1 . 1 69 69 GLN H H 1 8.067 0.020 . 1 . . . . . 69 GLN H . 50904 1 286 . 1 . 1 69 69 GLN C C 13 176.651 0.3 . 1 . . . . . 69 GLN C . 50904 1 287 . 1 . 1 69 69 GLN CA C 13 56.624 0.3 . 1 . . . . . 69 GLN CA . 50904 1 288 . 1 . 1 69 69 GLN CB C 13 29.093 0.3 . 1 . . . . . 69 GLN CB . 50904 1 289 . 1 . 1 69 69 GLN N N 15 122.255 0.2 . 1 . . . . . 69 GLN N . 50904 1 290 . 1 . 1 70 70 GLN H H 1 8.11 0.020 . 1 . . . . . 70 GLN H . 50904 1 291 . 1 . 1 70 70 GLN C C 13 177.507 0.3 . 1 . . . . . 70 GLN C . 50904 1 292 . 1 . 1 70 70 GLN CA C 13 56.984 0.3 . 1 . . . . . 70 GLN CA . 50904 1 293 . 1 . 1 70 70 GLN CB C 13 32.798 0.3 . 1 . . . . . 70 GLN CB . 50904 1 294 . 1 . 1 70 70 GLN N N 15 120.793 0.2 . 1 . . . . . 70 GLN N . 50904 1 295 . 1 . 1 71 71 MET H H 1 7.82 0.020 . 1 . . . . . 71 MET H . 50904 1 296 . 1 . 1 71 71 MET C C 13 176.7 0.3 . 1 . . . . . 71 MET C . 50904 1 297 . 1 . 1 71 71 MET CA C 13 56.727 0.3 . 1 . . . . . 71 MET CA . 50904 1 298 . 1 . 1 71 71 MET CB C 13 31.049 0.3 . 1 . . . . . 71 MET CB . 50904 1 299 . 1 . 1 71 71 MET N N 15 120.915 0.2 . 1 . . . . . 71 MET N . 50904 1 300 . 1 . 1 72 72 LYS H H 1 8.122 0.020 . 1 . . . . . 72 LYS H . 50904 1 301 . 1 . 1 72 72 LYS CA C 13 56.675 0.3 . 1 . . . . . 72 LYS CA . 50904 1 302 . 1 . 1 72 72 LYS CB C 13 30.483 0.3 . 1 . . . . . 72 LYS CB . 50904 1 303 . 1 . 1 72 72 LYS N N 15 122.042 0.2 . 1 . . . . . 72 LYS N . 50904 1 304 . 1 . 1 73 73 GLN H H 1 8.142 0.020 . 1 . . . . . 73 GLN H . 50904 1 305 . 1 . 1 73 73 GLN C C 13 174.418 0.3 . 1 . . . . . 73 GLN C . 50904 1 306 . 1 . 1 73 73 GLN CA C 13 54.308 0.3 . 1 . . . . . 73 GLN CA . 50904 1 307 . 1 . 1 73 73 GLN CB C 13 30.431 0.3 . 1 . . . . . 73 GLN CB . 50904 1 308 . 1 . 1 73 73 GLN N N 15 123.438 0.2 . 1 . . . . . 73 GLN N . 50904 1 309 . 1 . 1 76 76 ASN H H 1 8.289 0.020 . 1 . . . . . 76 ASN H . 50904 1 310 . 1 . 1 76 76 ASN C C 13 176.535 0.3 . 1 . . . . . 76 ASN C . 50904 1 311 . 1 . 1 76 76 ASN CA C 13 54.257 0.3 . 1 . . . . . 76 ASN CA . 50904 1 312 . 1 . 1 76 76 ASN CB C 13 38.819 0.3 . 1 . . . . . 76 ASN CB . 50904 1 313 . 1 . 1 76 76 ASN N N 15 119.157 0.2 . 1 . . . . . 76 ASN N . 50904 1 314 . 1 . 1 77 77 GLU H H 1 8.278 0.020 . 1 . . . . . 77 GLU H . 50904 1 315 . 1 . 1 77 77 GLU C C 13 177.615 0.3 . 1 . . . . . 77 GLU C . 50904 1 316 . 1 . 1 77 77 GLU CA C 13 58.271 0.3 . 1 . . . . . 77 GLU CA . 50904 1 317 . 1 . 1 77 77 GLU CB C 13 30.328 0.3 . 1 . . . . . 77 GLU CB . 50904 1 318 . 1 . 1 77 77 GLU N N 15 121.235 0.2 . 1 . . . . . 77 GLU N . 50904 1 319 . 1 . 1 78 78 ASN H H 1 8.222 0.020 . 1 . . . . . 78 ASN H . 50904 1 320 . 1 . 1 78 78 ASN C C 13 176.873 0.3 . 1 . . . . . 78 ASN C . 50904 1 321 . 1 . 1 78 78 ASN CA C 13 54.874 0.3 . 1 . . . . . 78 ASN CA . 50904 1 322 . 1 . 1 78 78 ASN CB C 13 38.768 0.3 . 1 . . . . . 78 ASN CB . 50904 1 323 . 1 . 1 78 78 ASN N N 15 118.049 0.2 . 1 . . . . . 78 ASN N . 50904 1 324 . 1 . 1 79 79 GLU H H 1 7.99 0.020 . 1 . . . . . 79 GLU H . 50904 1 325 . 1 . 1 79 79 GLU C C 13 177.689 0.3 . 1 . . . . . 79 GLU C . 50904 1 326 . 1 . 1 79 79 GLU CA C 13 58.065 0.3 . 1 . . . . . 79 GLU CA . 50904 1 327 . 1 . 1 79 79 GLU CB C 13 30.174 0.3 . 1 . . . . . 79 GLU CB . 50904 1 328 . 1 . 1 79 79 GLU N N 15 120.423 0.2 . 1 . . . . . 79 GLU N . 50904 1 329 . 1 . 1 80 80 ARG H H 1 7.926 0.020 . 1 . . . . . 80 ARG H . 50904 1 330 . 1 . 1 80 80 ARG C C 13 177.549 0.3 . 1 . . . . . 80 ARG C . 50904 1 331 . 1 . 1 80 80 ARG CA C 13 57.808 0.3 . 1 . . . . . 80 ARG CA . 50904 1 332 . 1 . 1 80 80 ARG CB C 13 30.534 0.3 . 1 . . . . . 80 ARG CB . 50904 1 333 . 1 . 1 80 80 ARG N N 15 120.23 0.2 . 1 . . . . . 80 ARG N . 50904 1 334 . 1 . 1 81 81 LYS H H 1 7.848 0.020 . 1 . . . . . 81 LYS H . 50904 1 335 . 1 . 1 81 81 LYS C C 13 177.219 0.3 . 1 . . . . . 81 LYS C . 50904 1 336 . 1 . 1 81 81 LYS CA C 13 57.293 0.3 . 1 . . . . . 81 LYS CA . 50904 1 337 . 1 . 1 81 81 LYS CB C 13 33.004 0.3 . 1 . . . . . 81 LYS CB . 50904 1 338 . 1 . 1 81 81 LYS N N 15 120.059 0.2 . 1 . . . . . 81 LYS N . 50904 1 339 . 1 . 1 82 82 ARG H H 1 8.075 0.020 . 1 . . . . . 82 ARG H . 50904 1 340 . 1 . 1 82 82 ARG C C 13 177.063 0.3 . 1 . . . . . 82 ARG C . 50904 1 341 . 1 . 1 82 82 ARG CA C 13 57.087 0.3 . 1 . . . . . 82 ARG CA . 50904 1 342 . 1 . 1 82 82 ARG CB C 13 29.248 0.3 . 1 . . . . . 82 ARG CB . 50904 1 343 . 1 . 1 82 82 ARG N N 15 120.349 0.2 . 1 . . . . . 82 ARG N . 50904 1 344 . 1 . 1 83 83 LYS H H 1 8.196 0.020 . 1 . . . . . 83 LYS H . 50904 1 345 . 1 . 1 83 83 LYS C C 13 177.475 0.3 . 1 . . . . . 83 LYS C . 50904 1 346 . 1 . 1 83 83 LYS CA C 13 57.344 0.3 . 1 . . . . . 83 LYS CA . 50904 1 347 . 1 . 1 83 83 LYS CB C 13 29.093 0.3 . 1 . . . . . 83 LYS CB . 50904 1 348 . 1 . 1 83 83 LYS N N 15 120.712 0.2 . 1 . . . . . 83 LYS N . 50904 1 349 . 1 . 1 84 84 ARG H H 1 8.056 0.020 . 1 . . . . . 84 ARG H . 50904 1 350 . 1 . 1 84 84 ARG C C 13 177.301 0.3 . 1 . . . . . 84 ARG C . 50904 1 351 . 1 . 1 84 84 ARG CA C 13 57.087 0.3 . 1 . . . . . 84 ARG CA . 50904 1 352 . 1 . 1 84 84 ARG CB C 13 30.688 0.3 . 1 . . . . . 84 ARG CB . 50904 1 353 . 1 . 1 84 84 ARG N N 15 121.577 0.2 . 1 . . . . . 84 ARG N . 50904 1 354 . 1 . 1 86 86 ARG H H 1 8.308 0.020 . 1 . . . . . 86 ARG H . 50904 1 355 . 1 . 1 86 86 ARG C C 13 176.873 0.3 . 1 . . . . . 86 ARG C . 50904 1 356 . 1 . 1 86 86 ARG CA C 13 56.315 0.3 . 1 . . . . . 86 ARG CA . 50904 1 357 . 1 . 1 86 86 ARG CB C 13 31.152 0.3 . 1 . . . . . 86 ARG CB . 50904 1 358 . 1 . 1 86 86 ARG N N 15 121.354 0.2 . 1 . . . . . 86 ARG N . 50904 1 359 . 1 . 1 87 87 LEU H H 1 8.333 0.020 . 1 . . . . . 87 LEU H . 50904 1 360 . 1 . 1 87 87 LEU C C 13 177.829 0.3 . 1 . . . . . 87 LEU C . 50904 1 361 . 1 . 1 87 87 LEU CA C 13 56.058 0.3 . 1 . . . . . 87 LEU CA . 50904 1 362 . 1 . 1 87 87 LEU CB C 13 42.37 0.3 . 1 . . . . . 87 LEU CB . 50904 1 363 . 1 . 1 87 87 LEU N N 15 123.922 0.2 . 1 . . . . . 87 LEU N . 50904 1 364 . 1 . 1 88 88 THR H H 1 7.775 0.020 . 1 . . . . . 88 THR H . 50904 1 365 . 1 . 1 88 88 THR C C 13 174.467 0.3 . 1 . . . . . 88 THR C . 50904 1 366 . 1 . 1 88 88 THR CA C 13 61.821 0.3 . 1 . . . . . 88 THR CA . 50904 1 367 . 1 . 1 88 88 THR CB C 13 70.055 0.3 . 1 . . . . . 88 THR CB . 50904 1 368 . 1 . 1 88 88 THR N N 15 112.449 0.2 . 1 . . . . . 88 THR N . 50904 1 369 . 1 . 1 89 89 ASP H H 1 8.159 0.020 . 1 . . . . . 89 ASP H . 50904 1 370 . 1 . 1 89 89 ASP C C 13 175.851 0.3 . 1 . . . . . 89 ASP C . 50904 1 371 . 1 . 1 89 89 ASP CA C 13 54.926 0.3 . 1 . . . . . 89 ASP CA . 50904 1 372 . 1 . 1 89 89 ASP CB C 13 41.238 0.3 . 1 . . . . . 89 ASP CB . 50904 1 373 . 1 . 1 89 89 ASP N N 15 122.612 0.2 . 1 . . . . . 89 ASP N . 50904 1 374 . 1 . 1 90 90 THR H H 1 7.55 0.020 . 1 . . . . . 90 THR H . 50904 1 375 . 1 . 1 90 90 THR C C 13 179.534 0.3 . 1 . . . . . 90 THR C . 50904 1 376 . 1 . 1 90 90 THR CA C 13 63.571 0.3 . 1 . . . . . 90 THR CA . 50904 1 377 . 1 . 1 90 90 THR CB C 13 71.187 0.3 . 1 . . . . . 90 THR CB . 50904 1 378 . 1 . 1 90 90 THR N N 15 118.367 0.2 . 1 . . . . . 90 THR N . 50904 1 stop_ save_