data_50253 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50253 _Entry.Title ; 4E-BP2 chemical shift data for SSP calculation ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-04-30 _Entry.Accession_date 2020-04-30 _Entry.Last_release_date 2020-04-30 _Entry.Original_release_date 2020-04-30 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _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 Jennifer Dawson . E. . 0000-0002-8387-6109 50253 2 Alaji Bah . . . . 50253 3 Zhenfu Zhang . . . . 50253 4 Robert Vernon . M. . . 50253 5 Hong Lin . . . . 50253 6 Andrew Chong . . . . 50253 7 Manasvi Vanama . . . . 50253 8 Nahum Sonenberg . . . . 50253 9 Claudiu Gradinaru . . . . 50253 10 Julie Forman-Kay . D. . . 50253 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'The Hospital for Sick Children' . 50253 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 5 50253 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 1206 50253 '15N chemical shifts' 395 50253 '1H chemical shifts' 845 50253 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 . . 2020-10-16 2020-04-30 update BMRB 'update entry citation' 50253 1 . . 2020-05-12 2020-04-30 original author 'original release' 50253 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50253 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32561718 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Non-cooperative 4E-BP2 folding with exchange between eIF4E-binding and binding-incompatible states tunes cap-dependent translation inhibition ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature Communications' _Citation.Journal_volume 11 _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 3146 _Citation.Page_last 3146 _Citation.Year 2020 _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 Jennifer Dawson . E. . 0000-0002-8387-6109 50253 1 2 Alaji Bah . . . . 50253 1 3 Zhenfu Zhang . . . . 50253 1 4 Robert Vernon . M. . . 50253 1 5 Hong Lin . . . . 50253 1 6 Andrew Chong . . . . 50253 1 7 Manasvi Vanama . . . . 50253 1 8 Nahum Sonenberg . . . . 50253 1 9 Claudiu Gradinaru . . . . 50253 1 10 Julie Forman-Kay . D. . . 50253 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50253 _Assembly.ID 1 _Assembly.Name 4E-BP2 _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 4E-BP2 1 $entity_1 . . yes native no no . . . 50253 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50253 _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 ; MSSSAGSGHQPSQSRAIPTR TVAISDAAQLPHDYCTTPGG TLFSTTPGGTRIIYDRKFLL DRRNSPMAQTPPCHLPNIPG VTSPGTLIEDSKVEVNNLNN LNNHDRKHAVGDDAQFEMDI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 120 _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_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 . MET . 50253 1 2 . SER . 50253 1 3 . SER . 50253 1 4 . SER . 50253 1 5 . ALA . 50253 1 6 . GLY . 50253 1 7 . SER . 50253 1 8 . GLY . 50253 1 9 . HIS . 50253 1 10 . GLN . 50253 1 11 . PRO . 50253 1 12 . SER . 50253 1 13 . GLN . 50253 1 14 . SER . 50253 1 15 . ARG . 50253 1 16 . ALA . 50253 1 17 . ILE . 50253 1 18 . PRO . 50253 1 19 . THR . 50253 1 20 . ARG . 50253 1 21 . THR . 50253 1 22 . VAL . 50253 1 23 . ALA . 50253 1 24 . ILE . 50253 1 25 . SER . 50253 1 26 . ASP . 50253 1 27 . ALA . 50253 1 28 . ALA . 50253 1 29 . GLN . 50253 1 30 . LEU . 50253 1 31 . PRO . 50253 1 32 . HIS . 50253 1 33 . ASP . 50253 1 34 . TYR . 50253 1 35 . CYS . 50253 1 36 . THR . 50253 1 37 . THR . 50253 1 38 . PRO . 50253 1 39 . GLY . 50253 1 40 . GLY . 50253 1 41 . THR . 50253 1 42 . LEU . 50253 1 43 . PHE . 50253 1 44 . SER . 50253 1 45 . THR . 50253 1 46 . THR . 50253 1 47 . PRO . 50253 1 48 . GLY . 50253 1 49 . GLY . 50253 1 50 . THR . 50253 1 51 . ARG . 50253 1 52 . ILE . 50253 1 53 . ILE . 50253 1 54 . TYR . 50253 1 55 . ASP . 50253 1 56 . ARG . 50253 1 57 . LYS . 50253 1 58 . PHE . 50253 1 59 . LEU . 50253 1 60 . LEU . 50253 1 61 . ASP . 50253 1 62 . ARG . 50253 1 63 . ARG . 50253 1 64 . ASN . 50253 1 65 . SER . 50253 1 66 . PRO . 50253 1 67 . MET . 50253 1 68 . ALA . 50253 1 69 . GLN . 50253 1 70 . THR . 50253 1 71 . PRO . 50253 1 72 . PRO . 50253 1 73 . CYS . 50253 1 74 . HIS . 50253 1 75 . LEU . 50253 1 76 . PRO . 50253 1 77 . ASN . 50253 1 78 . ILE . 50253 1 79 . PRO . 50253 1 80 . GLY . 50253 1 81 . VAL . 50253 1 82 . THR . 50253 1 83 . SER . 50253 1 84 . PRO . 50253 1 85 . GLY . 50253 1 86 . THR . 50253 1 87 . LEU . 50253 1 88 . ILE . 50253 1 89 . GLU . 50253 1 90 . ASP . 50253 1 91 . SER . 50253 1 92 . LYS . 50253 1 93 . VAL . 50253 1 94 . GLU . 50253 1 95 . VAL . 50253 1 96 . ASN . 50253 1 97 . ASN . 50253 1 98 . LEU . 50253 1 99 . ASN . 50253 1 100 . ASN . 50253 1 101 . LEU . 50253 1 102 . ASN . 50253 1 103 . ASN . 50253 1 104 . HIS . 50253 1 105 . ASP . 50253 1 106 . ARG . 50253 1 107 . LYS . 50253 1 108 . HIS . 50253 1 109 . ALA . 50253 1 110 . VAL . 50253 1 111 . GLY . 50253 1 112 . ASP . 50253 1 113 . ASP . 50253 1 114 . ALA . 50253 1 115 . GLN . 50253 1 116 . PHE . 50253 1 117 . GLU . 50253 1 118 . MET . 50253 1 119 . ASP . 50253 1 120 . ILE . 50253 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 . MET 1 1 50253 1 . SER 2 2 50253 1 . SER 3 3 50253 1 . SER 4 4 50253 1 . ALA 5 5 50253 1 . GLY 6 6 50253 1 . SER 7 7 50253 1 . GLY 8 8 50253 1 . HIS 9 9 50253 1 . GLN 10 10 50253 1 . PRO 11 11 50253 1 . SER 12 12 50253 1 . GLN 13 13 50253 1 . SER 14 14 50253 1 . ARG 15 15 50253 1 . ALA 16 16 50253 1 . ILE 17 17 50253 1 . PRO 18 18 50253 1 . THR 19 19 50253 1 . ARG 20 20 50253 1 . THR 21 21 50253 1 . VAL 22 22 50253 1 . ALA 23 23 50253 1 . ILE 24 24 50253 1 . SER 25 25 50253 1 . ASP 26 26 50253 1 . ALA 27 27 50253 1 . ALA 28 28 50253 1 . GLN 29 29 50253 1 . LEU 30 30 50253 1 . PRO 31 31 50253 1 . HIS 32 32 50253 1 . ASP 33 33 50253 1 . TYR 34 34 50253 1 . CYS 35 35 50253 1 . THR 36 36 50253 1 . THR 37 37 50253 1 . PRO 38 38 50253 1 . GLY 39 39 50253 1 . GLY 40 40 50253 1 . THR 41 41 50253 1 . LEU 42 42 50253 1 . PHE 43 43 50253 1 . SER 44 44 50253 1 . THR 45 45 50253 1 . THR 46 46 50253 1 . PRO 47 47 50253 1 . GLY 48 48 50253 1 . GLY 49 49 50253 1 . THR 50 50 50253 1 . ARG 51 51 50253 1 . ILE 52 52 50253 1 . ILE 53 53 50253 1 . TYR 54 54 50253 1 . ASP 55 55 50253 1 . ARG 56 56 50253 1 . LYS 57 57 50253 1 . PHE 58 58 50253 1 . LEU 59 59 50253 1 . LEU 60 60 50253 1 . ASP 61 61 50253 1 . ARG 62 62 50253 1 . ARG 63 63 50253 1 . ASN 64 64 50253 1 . SER 65 65 50253 1 . PRO 66 66 50253 1 . MET 67 67 50253 1 . ALA 68 68 50253 1 . GLN 69 69 50253 1 . THR 70 70 50253 1 . PRO 71 71 50253 1 . PRO 72 72 50253 1 . CYS 73 73 50253 1 . HIS 74 74 50253 1 . LEU 75 75 50253 1 . PRO 76 76 50253 1 . ASN 77 77 50253 1 . ILE 78 78 50253 1 . PRO 79 79 50253 1 . GLY 80 80 50253 1 . VAL 81 81 50253 1 . THR 82 82 50253 1 . SER 83 83 50253 1 . PRO 84 84 50253 1 . GLY 85 85 50253 1 . THR 86 86 50253 1 . LEU 87 87 50253 1 . ILE 88 88 50253 1 . GLU 89 89 50253 1 . ASP 90 90 50253 1 . SER 91 91 50253 1 . LYS 92 92 50253 1 . VAL 93 93 50253 1 . GLU 94 94 50253 1 . VAL 95 95 50253 1 . ASN 96 96 50253 1 . ASN 97 97 50253 1 . LEU 98 98 50253 1 . ASN 99 99 50253 1 . ASN 100 100 50253 1 . LEU 101 101 50253 1 . ASN 102 102 50253 1 . ASN 103 103 50253 1 . HIS 104 104 50253 1 . ASP 105 105 50253 1 . ARG 106 106 50253 1 . LYS 107 107 50253 1 . HIS 108 108 50253 1 . ALA 109 109 50253 1 . VAL 110 110 50253 1 . GLY 111 111 50253 1 . ASP 112 112 50253 1 . ASP 113 113 50253 1 . ALA 114 114 50253 1 . GLN 115 115 50253 1 . PHE 116 116 50253 1 . GLU 117 117 50253 1 . MET 118 118 50253 1 . ASP 119 119 50253 1 . ILE 120 120 50253 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 50253 _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 . . . . . . . . . . . . . 50253 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 50253 _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 . . 'pET His_SUMO' . . . 50253 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50253 _Sample.ID 1 _Sample.Name 4E-BP2 _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 4E-BP2 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.75 0.5 1.0 mM . . . . 50253 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 50253 _Sample_condition_list.ID 1 _Sample_condition_list.Name pH7.4 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.4 . pH 50253 1 temperature 293 . K 50253 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 50253 _Sample_condition_list.ID 2 _Sample_condition_list.Name pH3 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 3.0 . pH 50253 2 temperature 293 . K 50253 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50253 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 50253 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 50253 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 800MHz _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Uniform NMR System' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 50253 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50253 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50253 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50253 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50253 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50253 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50253 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50253 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50253 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50253 1 10 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50253 1 11 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50253 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50253 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 50253 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name water _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 water protons . . . . ppm 4.7 internal indirect . . . . . . 50253 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 50253 1 N 15 water protons . . . . ppm 4.7 internal indirect . . . . . . 50253 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 50253 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 3phos_pH7.4 _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' . . . 50253 1 2 '3D HNCO' . . . 50253 1 3 '3D CBCA(CO)NH' . . . 50253 1 4 '3D HNCACB' . . . 50253 1 5 '3D HBHA(CO)NH' . . . 50253 1 6 '3D 1H-15N NOESY' . . . 50253 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 . . 50253 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 6 6 GLY H H 1 8.359000 . . . . . . . . 6 G HN . 50253 1 2 . 1 . 1 6 6 GLY N N 15 108.157000 . . . . . . . . 6 G N . 50253 1 3 . 1 . 1 7 7 SER H H 1 8.289000 . . . . . . . . 7 S HN . 50253 1 4 . 1 . 1 7 7 SER N N 15 115.738000 . . . . . . . . 7 S N . 50253 1 5 . 1 . 1 8 8 GLY H H 1 8.509000 . . . . . . . . 8 G HN . 50253 1 6 . 1 . 1 8 8 GLY CA C 13 45.376000 . . . . . . . . 8 G CA . 50253 1 7 . 1 . 1 8 8 GLY N N 15 110.709000 . . . . . . . . 8 G N . 50253 1 8 . 1 . 1 12 12 SER H H 1 8.532000 . . . . . . . . 12 S HN . 50253 1 9 . 1 . 1 12 12 SER N N 15 116.270000 . . . . . . . . 12 S N . 50253 1 10 . 1 . 1 14 14 SER H H 1 8.352000 . . . . . . . . 14 S HN . 50253 1 11 . 1 . 1 14 14 SER N N 15 117.086000 . . . . . . . . 14 S N . 50253 1 12 . 1 . 1 18 18 PRO CA C 13 63.485000 . . . . . . . . 18 P CA . 50253 1 13 . 1 . 1 19 19 THR H H 1 8.131000 . . . . . . . . 19 T HN . 50253 1 14 . 1 . 1 19 19 THR HA H 1 5.378000 . . . . . . . . 19 T HA . 50253 1 15 . 1 . 1 19 19 THR C C 13 174.088000 . . . . . . . . 19 T CO . 50253 1 16 . 1 . 1 19 19 THR CA C 13 60.563000 . . . . . . . . 19 T CA . 50253 1 17 . 1 . 1 19 19 THR CB C 13 72.210000 . . . . . . . . 19 T CB . 50253 1 18 . 1 . 1 19 19 THR N N 15 115.234000 . . . . . . . . 19 T N . 50253 1 19 . 1 . 1 20 20 ARG H H 1 8.772000 . . . . . . . . 20 R HN . 50253 1 20 . 1 . 1 20 20 ARG HA H 1 4.565000 . . . . . . . . 20 R HA . 50253 1 21 . 1 . 1 20 20 ARG C C 13 174.237000 . . . . . . . . 20 R CO . 50253 1 22 . 1 . 1 20 20 ARG CA C 13 55.288000 . . . . . . . . 20 R CA . 50253 1 23 . 1 . 1 20 20 ARG CB C 13 33.317000 . . . . . . . . 20 R CB . 50253 1 24 . 1 . 1 20 20 ARG N N 15 123.615000 . . . . . . . . 20 R N . 50253 1 25 . 1 . 1 21 21 THR H H 1 8.522000 . . . . . . . . 21 T HN . 50253 1 26 . 1 . 1 21 21 THR HA H 1 5.071000 . . . . . . . . 21 T HA . 50253 1 27 . 1 . 1 21 21 THR C C 13 174.486000 . . . . . . . . 21 T CO . 50253 1 28 . 1 . 1 21 21 THR CA C 13 61.697000 . . . . . . . . 21 T CA . 50253 1 29 . 1 . 1 21 21 THR CB C 13 70.091000 . . . . . . . . 21 T CB . 50253 1 30 . 1 . 1 21 21 THR N N 15 118.122000 . . . . . . . . 21 T N . 50253 1 31 . 1 . 1 22 22 VAL H H 1 8.888000 . . . . . . . . 22 V HN . 50253 1 32 . 1 . 1 22 22 VAL HA H 1 4.222000 . . . . . . . . 22 V HA . 50253 1 33 . 1 . 1 22 22 VAL C C 13 174.208000 . . . . . . . . 22 V CO . 50253 1 34 . 1 . 1 22 22 VAL CA C 13 60.956000 . . . . . . . . 22 V CA . 50253 1 35 . 1 . 1 22 22 VAL CB C 13 34.572000 . . . . . . . . 22 V CB . 50253 1 36 . 1 . 1 22 22 VAL N N 15 127.377000 . . . . . . . . 22 V N . 50253 1 37 . 1 . 1 23 23 ALA H H 1 8.657000 . . . . . . . . 23 A HN . 50253 1 38 . 1 . 1 23 23 ALA HA H 1 4.888000 . . . . . . . . 23 A HA . 50253 1 39 . 1 . 1 23 23 ALA C C 13 177.319000 . . . . . . . . 23 A CO . 50253 1 40 . 1 . 1 23 23 ALA CA C 13 51.464000 . . . . . . . . 23 A CA . 50253 1 41 . 1 . 1 23 23 ALA CB C 13 19.269000 . . . . . . . . 23 A CB . 50253 1 42 . 1 . 1 23 23 ALA N N 15 129.838000 . . . . . . . . 23 A N . 50253 1 43 . 1 . 1 24 24 ILE H H 1 8.373000 . . . . . . . . 24 I HN . 50253 1 44 . 1 . 1 24 24 ILE C C 13 175.286000 . . . . . . . . 24 I CO . 50253 1 45 . 1 . 1 24 24 ILE CA C 13 59.244000 . . . . . . . . 24 I CA . 50253 1 46 . 1 . 1 24 24 ILE CB C 13 39.828000 . . . . . . . . 24 I CB . 50253 1 47 . 1 . 1 24 24 ILE N N 15 119.637000 . . . . . . . . 24 I N . 50253 1 48 . 1 . 1 25 25 SER H H 1 8.894000 . . . . . . . . 25 S HN . 50253 1 49 . 1 . 1 25 25 SER HA H 1 4.559000 . . . . . . . . 25 S HA . 50253 1 50 . 1 . 1 25 25 SER C C 13 173.624000 . . . . . . . . 25 S CO . 50253 1 51 . 1 . 1 25 25 SER CA C 13 58.546000 . . . . . . . . 25 S CA . 50253 1 52 . 1 . 1 25 25 SER N N 15 118.173000 . . . . . . . . 25 S N . 50253 1 53 . 1 . 1 26 26 ASP H H 1 7.626000 . . . . . . . . 26 D HN . 50253 1 54 . 1 . 1 26 26 ASP HA H 1 4.390000 . . . . . . . . 26 D HA . 50253 1 55 . 1 . 1 26 26 ASP C C 13 175.373000 . . . . . . . . 26 D CO . 50253 1 56 . 1 . 1 26 26 ASP CA C 13 53.568000 . . . . . . . . 26 D CA . 50253 1 57 . 1 . 1 26 26 ASP CB C 13 44.310000 . . . . . . . . 26 D CB . 50253 1 58 . 1 . 1 26 26 ASP N N 15 121.200000 . . . . . . . . 26 D N . 50253 1 59 . 1 . 1 27 27 ALA H H 1 8.576000 . . . . . . . . 27 A HN . 50253 1 60 . 1 . 1 27 27 ALA HA H 1 3.646000 . . . . . . . . 27 A HA . 50253 1 61 . 1 . 1 27 27 ALA C C 13 178.559000 . . . . . . . . 27 A CO . 50253 1 62 . 1 . 1 27 27 ALA CA C 13 54.527000 . . . . . . . . 27 A CA . 50253 1 63 . 1 . 1 27 27 ALA CB C 13 18.213000 . . . . . . . . 27 A CB . 50253 1 64 . 1 . 1 27 27 ALA N N 15 127.144000 . . . . . . . . 27 A N . 50253 1 65 . 1 . 1 28 28 ALA H H 1 8.706000 . . . . . . . . 28 A HN . 50253 1 66 . 1 . 1 28 28 ALA HA H 1 4.147000 . . . . . . . . 28 A HA . 50253 1 67 . 1 . 1 28 28 ALA C C 13 178.262000 . . . . . . . . 28 A CO . 50253 1 68 . 1 . 1 28 28 ALA CA C 13 53.581000 . . . . . . . . 28 A CA . 50253 1 69 . 1 . 1 28 28 ALA CB C 13 18.527000 . . . . . . . . 28 A CB . 50253 1 70 . 1 . 1 28 28 ALA N N 15 120.737000 . . . . . . . . 28 A N . 50253 1 71 . 1 . 1 29 29 GLN H H 1 7.763000 . . . . . . . . 29 Q HN . 50253 1 72 . 1 . 1 29 29 GLN HA H 1 4.148000 . . . . . . . . 29 Q HA . 50253 1 73 . 1 . 1 29 29 GLN C C 13 176.309000 . . . . . . . . 29 Q CO . 50253 1 74 . 1 . 1 29 29 GLN CA C 13 55.669000 . . . . . . . . 29 Q CA . 50253 1 75 . 1 . 1 29 29 GLN CB C 13 29.542000 . . . . . . . . 29 Q CB . 50253 1 76 . 1 . 1 29 29 GLN N N 15 114.697000 . . . . . . . . 29 Q N . 50253 1 77 . 1 . 1 30 30 LEU H H 1 7.372000 . . . . . . . . 30 L HN . 50253 1 78 . 1 . 1 30 30 LEU CA C 13 52.831000 . . . . . . . . 30 L CA . 50253 1 79 . 1 . 1 30 30 LEU CB C 13 41.346000 . . . . . . . . 30 L CB . 50253 1 80 . 1 . 1 30 30 LEU N N 15 121.539000 . . . . . . . . 30 L N . 50253 1 81 . 1 . 1 31 31 PRO HA H 1 4.502000 . . . . . . . . 31 P HA . 50253 1 82 . 1 . 1 31 31 PRO CA C 13 62.290000 . . . . . . . . 31 P CA . 50253 1 83 . 1 . 1 32 32 HIS H H 1 8.470000 . . . . . . . . 32 H HN . 50253 1 84 . 1 . 1 32 32 HIS HA H 1 4.360000 . . . . . . . . 32 H HA . 50253 1 85 . 1 . 1 32 32 HIS C C 13 175.540000 . . . . . . . . 32 H CO . 50253 1 86 . 1 . 1 32 32 HIS CA C 13 57.993000 . . . . . . . . 32 H CA . 50253 1 87 . 1 . 1 32 32 HIS CB C 13 30.197000 . . . . . . . . 32 H CB . 50253 1 88 . 1 . 1 32 32 HIS N N 15 117.609000 . . . . . . . . 32 H N . 50253 1 89 . 1 . 1 33 33 ASP H H 1 8.017000 . . . . . . . . 33 D HN . 50253 1 90 . 1 . 1 33 33 ASP HA H 1 4.491000 . . . . . . . . 33 D HA . 50253 1 91 . 1 . 1 33 33 ASP C C 13 175.284000 . . . . . . . . 33 D CO . 50253 1 92 . 1 . 1 33 33 ASP CA C 13 52.558000 . . . . . . . . 33 D CA . 50253 1 93 . 1 . 1 33 33 ASP CB C 13 39.936000 . . . . . . . . 33 D CB . 50253 1 94 . 1 . 1 33 33 ASP N N 15 116.910000 . . . . . . . . 33 D N . 50253 1 95 . 1 . 1 34 34 TYR H H 1 7.177000 . . . . . . . . 34 Y HN . 50253 1 96 . 1 . 1 34 34 TYR HA H 1 4.538000 . . . . . . . . 34 Y HA . 50253 1 97 . 1 . 1 34 34 TYR C C 13 173.767000 . . . . . . . . 34 Y CO . 50253 1 98 . 1 . 1 34 34 TYR CA C 13 57.416000 . . . . . . . . 34 Y CA . 50253 1 99 . 1 . 1 34 34 TYR CB C 13 37.926000 . . . . . . . . 34 Y CB . 50253 1 100 . 1 . 1 34 34 TYR N N 15 117.053000 . . . . . . . . 34 Y N . 50253 1 101 . 1 . 1 35 35 CYS H H 1 9.083000 . . . . . . . . 35 C HN . 50253 1 102 . 1 . 1 35 35 CYS HA H 1 4.468000 . . . . . . . . 35 C HA . 50253 1 103 . 1 . 1 35 35 CYS C C 13 172.538000 . . . . . . . . 35 C CO . 50253 1 104 . 1 . 1 35 35 CYS CA C 13 57.180000 . . . . . . . . 35 C CA . 50253 1 105 . 1 . 1 35 35 CYS CB C 13 30.968000 . . . . . . . . 35 C CB . 50253 1 106 . 1 . 1 35 35 CYS N N 15 120.507000 . . . . . . . . 35 C N . 50253 1 107 . 1 . 1 36 36 THR H H 1 8.127000 . . . . . . . . 36 T HN . 50253 1 108 . 1 . 1 36 36 THR HA H 1 5.907000 . . . . . . . . 36 T HA . 50253 1 109 . 1 . 1 36 36 THR C C 13 176.025000 . . . . . . . . 36 T CO . 50253 1 110 . 1 . 1 36 36 THR CA C 13 59.962000 . . . . . . . . 36 T CA . 50253 1 111 . 1 . 1 36 36 THR CB C 13 71.562000 . . . . . . . . 36 T CB . 50253 1 112 . 1 . 1 36 36 THR N N 15 112.959000 . . . . . . . . 36 T N . 50253 1 113 . 1 . 1 37 37 THR CA C 13 60.783000 . . . . . . . . 37 T CA . 50253 1 114 . 1 . 1 37 37 THR CB C 13 69.143000 . . . . . . . . 37 T CB . 50253 1 115 . 1 . 1 38 38 PRO HA H 1 4.216000 . . . . . . . . 38 P HA . 50253 1 116 . 1 . 1 39 39 GLY H H 1 11.087000 . . . . . . . . 39 G HN . 50253 1 117 . 1 . 1 39 39 GLY HA2 H 1 4.030000 . . . . . . . . 39 G HA2 . 50253 1 118 . 1 . 1 39 39 GLY HA3 H 1 3.820000 . . . . . . . . 39 G HA3 . 50253 1 119 . 1 . 1 39 39 GLY C C 13 175.879000 . . . . . . . . 39 G CO . 50253 1 120 . 1 . 1 39 39 GLY CA C 13 45.580000 . . . . . . . . 39 G CA . 50253 1 121 . 1 . 1 39 39 GLY N N 15 109.551000 . . . . . . . . 39 G N . 50253 1 122 . 1 . 1 40 40 GLY H H 1 8.309000 . . . . . . . . 40 G HN . 50253 1 123 . 1 . 1 40 40 GLY HA2 H 1 4.379000 . . . . . . . . 40 G HA2 . 50253 1 124 . 1 . 1 40 40 GLY HA3 H 1 3.510000 . . . . . . . . 40 G HA3 . 50253 1 125 . 1 . 1 40 40 GLY C C 13 174.511000 . . . . . . . . 40 G CO . 50253 1 126 . 1 . 1 40 40 GLY CA C 13 44.625000 . . . . . . . . 40 G CA . 50253 1 127 . 1 . 1 40 40 GLY N N 15 107.931000 . . . . . . . . 40 G N . 50253 1 128 . 1 . 1 41 41 THR H H 1 8.379000 . . . . . . . . 41 T HN . 50253 1 129 . 1 . 1 41 41 THR HA H 1 4.391000 . . . . . . . . 41 T HA . 50253 1 130 . 1 . 1 41 41 THR C C 13 173.271000 . . . . . . . . 41 T CO . 50253 1 131 . 1 . 1 41 41 THR CA C 13 65.907000 . . . . . . . . 41 T CA . 50253 1 132 . 1 . 1 41 41 THR CB C 13 67.288000 . . . . . . . . 41 T CB . 50253 1 133 . 1 . 1 41 41 THR N N 15 121.876000 . . . . . . . . 41 T N . 50253 1 134 . 1 . 1 42 42 LEU H H 1 8.848000 . . . . . . . . 42 L HN . 50253 1 135 . 1 . 1 42 42 LEU HA H 1 5.457000 . . . . . . . . 42 L HA . 50253 1 136 . 1 . 1 42 42 LEU C C 13 176.499000 . . . . . . . . 42 L CO . 50253 1 137 . 1 . 1 42 42 LEU CA C 13 54.042000 . . . . . . . . 42 L CA . 50253 1 138 . 1 . 1 42 42 LEU CB C 13 44.422000 . . . . . . . . 42 L CB . 50253 1 139 . 1 . 1 42 42 LEU N N 15 128.458000 . . . . . . . . 42 L N . 50253 1 140 . 1 . 1 43 43 PHE H H 1 9.270000 . . . . . . . . 43 F HN . 50253 1 141 . 1 . 1 43 43 PHE HA H 1 6.232000 . . . . . . . . 43 F HA . 50253 1 142 . 1 . 1 43 43 PHE C C 13 173.322000 . . . . . . . . 43 F CO . 50253 1 143 . 1 . 1 43 43 PHE CA C 13 56.197000 . . . . . . . . 43 F CA . 50253 1 144 . 1 . 1 43 43 PHE CB C 13 43.361000 . . . . . . . . 43 F CB . 50253 1 145 . 1 . 1 43 43 PHE N N 15 118.836000 . . . . . . . . 43 F N . 50253 1 146 . 1 . 1 44 44 SER H H 1 9.453000 . . . . . . . . 44 S HN . 50253 1 147 . 1 . 1 44 44 SER HA H 1 4.776000 . . . . . . . . 44 S HA . 50253 1 148 . 1 . 1 44 44 SER C C 13 172.653000 . . . . . . . . 44 S CO . 50253 1 149 . 1 . 1 44 44 SER CA C 13 57.470000 . . . . . . . . 44 S CA . 50253 1 150 . 1 . 1 44 44 SER CB C 13 65.532000 . . . . . . . . 44 S CB . 50253 1 151 . 1 . 1 44 44 SER N N 15 115.201000 . . . . . . . . 44 S N . 50253 1 152 . 1 . 1 45 45 THR H H 1 8.311000 . . . . . . . . 45 T HN . 50253 1 153 . 1 . 1 45 45 THR HA H 1 5.677000 . . . . . . . . 45 T HA . 50253 1 154 . 1 . 1 45 45 THR C C 13 175.563000 . . . . . . . . 45 T CO . 50253 1 155 . 1 . 1 45 45 THR CA C 13 60.669000 . . . . . . . . 45 T CA . 50253 1 156 . 1 . 1 45 45 THR CB C 13 71.079000 . . . . . . . . 45 T CB . 50253 1 157 . 1 . 1 45 45 THR N N 15 114.036000 . . . . . . . . 45 T N . 50253 1 158 . 1 . 1 46 46 THR CA C 13 60.869000 . . . . . . . . 46 T CA . 50253 1 159 . 1 . 1 46 46 THR CB C 13 69.008000 . . . . . . . . 46 T CB . 50253 1 160 . 1 . 1 47 47 PRO HA H 1 4.244000 . . . . . . . . 47 P HA . 50253 1 161 . 1 . 1 47 47 PRO CA C 13 66.562000 . . . . . . . . 47 P CA . 50253 1 162 . 1 . 1 48 48 GLY H H 1 11.182000 . . . . . . . . 48 G HN . 50253 1 163 . 1 . 1 48 48 GLY HA2 H 1 4.030000 . . . . . . . . 48 G HA2 . 50253 1 164 . 1 . 1 48 48 GLY HA3 H 1 3.820000 . . . . . . . . 48 G HA3 . 50253 1 165 . 1 . 1 48 48 GLY C C 13 175.879000 . . . . . . . . 48 G CO . 50253 1 166 . 1 . 1 48 48 GLY CA C 13 45.543000 . . . . . . . . 48 G CA . 50253 1 167 . 1 . 1 48 48 GLY N N 15 109.652000 . . . . . . . . 48 G N . 50253 1 168 . 1 . 1 49 49 GLY H H 1 8.309000 . . . . . . . . 49 G HN . 50253 1 169 . 1 . 1 49 49 GLY HA2 H 1 4.379000 . . . . . . . . 49 G HA2 . 50253 1 170 . 1 . 1 49 49 GLY HA3 H 1 3.510000 . . . . . . . . 49 G HA3 . 50253 1 171 . 1 . 1 49 49 GLY C C 13 174.304000 . . . . . . . . 49 G CO . 50253 1 172 . 1 . 1 49 49 GLY CA C 13 44.625000 . . . . . . . . 49 G CA . 50253 1 173 . 1 . 1 49 49 GLY N N 15 107.931000 . . . . . . . . 49 G N . 50253 1 174 . 1 . 1 50 50 THR H H 1 8.369000 . . . . . . . . 50 T HN . 50253 1 175 . 1 . 1 50 50 THR HA H 1 4.191000 . . . . . . . . 50 T HA . 50253 1 176 . 1 . 1 50 50 THR C C 13 173.132000 . . . . . . . . 50 T CO . 50253 1 177 . 1 . 1 50 50 THR CA C 13 65.907000 . . . . . . . . 50 T CA . 50253 1 178 . 1 . 1 50 50 THR CB C 13 67.288000 . . . . . . . . 50 T CB . 50253 1 179 . 1 . 1 50 50 THR N N 15 121.777000 . . . . . . . . 50 T N . 50253 1 180 . 1 . 1 51 51 ARG H H 1 8.512000 . . . . . . . . 51 R HN . 50253 1 181 . 1 . 1 51 51 ARG HA H 1 4.948000 . . . . . . . . 51 R HA . 50253 1 182 . 1 . 1 51 51 ARG C C 13 174.261000 . . . . . . . . 51 R CO . 50253 1 183 . 1 . 1 51 51 ARG CA C 13 55.618000 . . . . . . . . 51 R CA . 50253 1 184 . 1 . 1 51 51 ARG CB C 13 31.589000 . . . . . . . . 51 R CB . 50253 1 185 . 1 . 1 51 51 ARG N N 15 126.854000 . . . . . . . . 51 R N . 50253 1 186 . 1 . 1 52 52 ILE H H 1 9.143000 . . . . . . . . 52 I HN . 50253 1 187 . 1 . 1 52 52 ILE HA H 1 4.511000 . . . . . . . . 52 I HA . 50253 1 188 . 1 . 1 52 52 ILE C C 13 175.045000 . . . . . . . . 52 I CO . 50253 1 189 . 1 . 1 52 52 ILE CA C 13 58.936000 . . . . . . . . 52 I CA . 50253 1 190 . 1 . 1 52 52 ILE CB C 13 38.273000 . . . . . . . . 52 I CB . 50253 1 191 . 1 . 1 52 52 ILE N N 15 128.344000 . . . . . . . . 52 I N . 50253 1 192 . 1 . 1 53 53 ILE H H 1 8.586000 . . . . . . . . 53 I HN . 50253 1 193 . 1 . 1 53 53 ILE HA H 1 4.525000 . . . . . . . . 53 I HA . 50253 1 194 . 1 . 1 53 53 ILE C C 13 175.508000 . . . . . . . . 53 I CO . 50253 1 195 . 1 . 1 53 53 ILE CA C 13 59.192000 . . . . . . . . 53 I CA . 50253 1 196 . 1 . 1 53 53 ILE CB C 13 38.755000 . . . . . . . . 53 I CB . 50253 1 197 . 1 . 1 53 53 ILE N N 15 125.289000 . . . . . . . . 53 I N . 50253 1 198 . 1 . 1 54 54 TYR H H 1 8.124000 . . . . . . . . 54 Y HN . 50253 1 199 . 1 . 1 54 54 TYR HA H 1 4.962000 . . . . . . . . 54 Y HA . 50253 1 200 . 1 . 1 54 54 TYR C C 13 175.037000 . . . . . . . . 54 Y CO . 50253 1 201 . 1 . 1 54 54 TYR CA C 13 57.161000 . . . . . . . . 54 Y CA . 50253 1 202 . 1 . 1 54 54 TYR CB C 13 38.752000 . . . . . . . . 54 Y CB . 50253 1 203 . 1 . 1 54 54 TYR N N 15 124.829000 . . . . . . . . 54 Y N . 50253 1 204 . 1 . 1 55 55 ASP H H 1 8.753000 . . . . . . . . 55 D HN . 50253 1 205 . 1 . 1 55 55 ASP HA H 1 4.677000 . . . . . . . . 55 D HA . 50253 1 206 . 1 . 1 55 55 ASP C C 13 176.355000 . . . . . . . . 55 D CO . 50253 1 207 . 1 . 1 55 55 ASP CA C 13 53.219000 . . . . . . . . 55 D CA . 50253 1 208 . 1 . 1 55 55 ASP CB C 13 41.951000 . . . . . . . . 55 D CB . 50253 1 209 . 1 . 1 55 55 ASP N N 15 125.342000 . . . . . . . . 55 D N . 50253 1 210 . 1 . 1 56 56 ARG H H 1 8.442000 . . . . . . . . 56 R HN . 50253 1 211 . 1 . 1 56 56 ARG HA H 1 4.265000 . . . . . . . . 56 R HA . 50253 1 212 . 1 . 1 56 56 ARG C C 13 176.288000 . . . . . . . . 56 R CO . 50253 1 213 . 1 . 1 56 56 ARG CA C 13 56.263000 . . . . . . . . 56 R CA . 50253 1 214 . 1 . 1 56 56 ARG CB C 13 29.995000 . . . . . . . . 56 R CB . 50253 1 215 . 1 . 1 56 56 ARG N N 15 124.512000 . . . . . . . . 56 R N . 50253 1 216 . 1 . 1 57 57 LYS H H 1 8.545000 . . . . . . . . 57 K HN . 50253 1 217 . 1 . 1 57 57 LYS HA H 1 4.137000 . . . . . . . . 57 K HA . 50253 1 218 . 1 . 1 57 57 LYS C C 13 176.713000 . . . . . . . . 57 K CO . 50253 1 219 . 1 . 1 57 57 LYS CA C 13 56.948000 . . . . . . . . 57 K CA . 50253 1 220 . 1 . 1 57 57 LYS CB C 13 32.037000 . . . . . . . . 57 K CB . 50253 1 221 . 1 . 1 57 57 LYS N N 15 124.317000 . . . . . . . . 57 K N . 50253 1 222 . 1 . 1 58 58 PHE H H 1 7.682000 . . . . . . . . 58 F HN . 50253 1 223 . 1 . 1 58 58 PHE HA H 1 4.592000 . . . . . . . . 58 F HA . 50253 1 224 . 1 . 1 58 58 PHE C C 13 175.529000 . . . . . . . . 58 F CO . 50253 1 225 . 1 . 1 58 58 PHE CA C 13 57.024000 . . . . . . . . 58 F CA . 50253 1 226 . 1 . 1 58 58 PHE CB C 13 38.828000 . . . . . . . . 58 F CB . 50253 1 227 . 1 . 1 58 58 PHE N N 15 116.172000 . . . . . . . . 58 F N . 50253 1 228 . 1 . 1 59 59 LEU H H 1 7.721000 . . . . . . . . 59 L HN . 50253 1 229 . 1 . 1 59 59 LEU HA H 1 4.228000 . . . . . . . . 59 L HA . 50253 1 230 . 1 . 1 59 59 LEU C C 13 177.251000 . . . . . . . . 59 L CO . 50253 1 231 . 1 . 1 59 59 LEU CA C 13 55.293000 . . . . . . . . 59 L CA . 50253 1 232 . 1 . 1 59 59 LEU CB C 13 42.211000 . . . . . . . . 59 L CB . 50253 1 233 . 1 . 1 59 59 LEU N N 15 121.190000 . . . . . . . . 59 L N . 50253 1 234 . 1 . 1 60 60 LEU H H 1 7.993000 . . . . . . . . 60 L HN . 50253 1 235 . 1 . 1 60 60 LEU HA H 1 4.279000 . . . . . . . . 60 L HA . 50253 1 236 . 1 . 1 60 60 LEU C C 13 177.057000 . . . . . . . . 60 L CO . 50253 1 237 . 1 . 1 60 60 LEU CA C 13 55.261000 . . . . . . . . 60 L CA . 50253 1 238 . 1 . 1 60 60 LEU CB C 13 42.303000 . . . . . . . . 60 L CB . 50253 1 239 . 1 . 1 60 60 LEU N N 15 121.762000 . . . . . . . . 60 L N . 50253 1 240 . 1 . 1 61 61 ASP H H 1 8.188000 . . . . . . . . 61 D HN . 50253 1 241 . 1 . 1 61 61 ASP HA H 1 4.538000 . . . . . . . . 61 D HA . 50253 1 242 . 1 . 1 61 61 ASP C C 13 176.030000 . . . . . . . . 61 D CO . 50253 1 243 . 1 . 1 61 61 ASP CA C 13 54.282000 . . . . . . . . 61 D CA . 50253 1 244 . 1 . 1 61 61 ASP CB C 13 41.102000 . . . . . . . . 61 D CB . 50253 1 245 . 1 . 1 61 61 ASP N N 15 120.656000 . . . . . . . . 61 D N . 50253 1 246 . 1 . 1 62 62 ARG H H 1 8.117000 . . . . . . . . 62 R HN . 50253 1 247 . 1 . 1 62 62 ARG HA H 1 4.299000 . . . . . . . . 62 R HA . 50253 1 248 . 1 . 1 62 62 ARG CA C 13 55.846000 . . . . . . . . 62 R CA . 50253 1 249 . 1 . 1 62 62 ARG CB C 13 30.583000 . . . . . . . . 62 R CB . 50253 1 250 . 1 . 1 62 62 ARG N N 15 121.290000 . . . . . . . . 62 R N . 50253 1 251 . 1 . 1 63 63 ARG H H 1 8.366000 . . . . . . . . 63 R HN . 50253 1 252 . 1 . 1 63 63 ARG HA H 1 4.266000 . . . . . . . . 63 R HA . 50253 1 253 . 1 . 1 63 63 ARG C C 13 176.111000 . . . . . . . . 63 R CO . 50253 1 254 . 1 . 1 63 63 ARG CA C 13 56.217000 . . . . . . . . 63 R CA . 50253 1 255 . 1 . 1 63 63 ARG CB C 13 30.628000 . . . . . . . . 63 R CB . 50253 1 256 . 1 . 1 63 63 ARG N N 15 122.194000 . . . . . . . . 63 R N . 50253 1 257 . 1 . 1 64 64 ASN H H 1 8.565000 . . . . . . . . 64 N HN . 50253 1 258 . 1 . 1 64 64 ASN HA H 1 4.718000 . . . . . . . . 64 N HA . 50253 1 259 . 1 . 1 64 64 ASN CA C 13 53.137000 . . . . . . . . 64 N CA . 50253 1 260 . 1 . 1 64 64 ASN CB C 13 39.236000 . . . . . . . . 64 N CB . 50253 1 261 . 1 . 1 64 64 ASN N N 15 120.018000 . . . . . . . . 64 N N . 50253 1 262 . 1 . 1 65 65 SER CA C 13 56.263000 . . . . . . . . 65 S CA . 50253 1 263 . 1 . 1 65 65 SER CB C 13 64.694000 . . . . . . . . 65 S CB . 50253 1 264 . 1 . 1 66 66 PRO HA H 1 4.363000 . . . . . . . . 66 P HA . 50253 1 265 . 1 . 1 66 66 PRO CA C 13 63.554000 . . . . . . . . 66 P CA . 50253 1 266 . 1 . 1 66 66 PRO CB C 13 32.101000 . . . . . . . . 66 P CB . 50253 1 267 . 1 . 1 67 67 MET H H 1 8.457000 . . . . . . . . 67 M HN . 50253 1 268 . 1 . 1 67 67 MET HA H 1 4.375000 . . . . . . . . 67 M HA . 50253 1 269 . 1 . 1 67 67 MET CA C 13 55.449000 . . . . . . . . 67 M CA . 50253 1 270 . 1 . 1 67 67 MET CB C 13 32.917000 . . . . . . . . 67 M CB . 50253 1 271 . 1 . 1 67 67 MET N N 15 120.287000 . . . . . . . . 67 M N . 50253 1 272 . 1 . 1 68 68 ALA H H 1 8.306000 . . . . . . . . 68 A HN . 50253 1 273 . 1 . 1 68 68 ALA HA H 1 4.256000 . . . . . . . . 68 A HA . 50253 1 274 . 1 . 1 68 68 ALA C C 13 177.500000 . . . . . . . . 68 A CO . 50253 1 275 . 1 . 1 68 68 ALA CA C 13 52.520000 . . . . . . . . 68 A CA . 50253 1 276 . 1 . 1 68 68 ALA CB C 13 19.308000 . . . . . . . . 68 A CB . 50253 1 277 . 1 . 1 68 68 ALA N N 15 125.774000 . . . . . . . . 68 A N . 50253 1 278 . 1 . 1 69 69 GLN H H 1 8.308000 . . . . . . . . 69 Q HN . 50253 1 279 . 1 . 1 69 69 GLN HA H 1 4.268000 . . . . . . . . 69 Q HA . 50253 1 280 . 1 . 1 69 69 GLN C C 13 175.267000 . . . . . . . . 69 Q CO . 50253 1 281 . 1 . 1 69 69 GLN CA C 13 55.274000 . . . . . . . . 69 Q CA . 50253 1 282 . 1 . 1 69 69 GLN CB C 13 29.782000 . . . . . . . . 69 Q CB . 50253 1 283 . 1 . 1 69 69 GLN N N 15 119.588000 . . . . . . . . 69 Q N . 50253 1 284 . 1 . 1 76 76 PRO HA H 1 4.351000 . . . . . . . . 76 P HA . 50253 1 285 . 1 . 1 76 76 PRO CA C 13 63.022000 . . . . . . . . 76 P CA . 50253 1 286 . 1 . 1 76 76 PRO CB C 13 32.091000 . . . . . . . . 76 P CB . 50253 1 287 . 1 . 1 77 77 ASN H H 1 8.470000 . . . . . . . . 77 N HN . 50253 1 288 . 1 . 1 77 77 ASN CA C 13 53.106000 . . . . . . . . 77 N CA . 50253 1 289 . 1 . 1 77 77 ASN CB C 13 38.818000 . . . . . . . . 77 N CB . 50253 1 290 . 1 . 1 77 77 ASN N N 15 118.617000 . . . . . . . . 77 N N . 50253 1 291 . 1 . 1 79 79 PRO HA H 1 4.334000 . . . . . . . . 79 P HA . 50253 1 292 . 1 . 1 79 79 PRO CA C 13 63.599000 . . . . . . . . 79 P CA . 50253 1 293 . 1 . 1 79 79 PRO CB C 13 32.091000 . . . . . . . . 79 P CB . 50253 1 294 . 1 . 1 80 80 GLY H H 1 8.483000 . . . . . . . . 80 G HN . 50253 1 295 . 1 . 1 80 80 GLY HA2 H 1 3.925000 . . . . . . . . 80 G HA . 50253 1 296 . 1 . 1 80 80 GLY HA3 H 1 3.925000 . . . . . . . . 80 G HA . 50253 1 297 . 1 . 1 80 80 GLY C C 13 174.030000 . . . . . . . . 80 G CO . 50253 1 298 . 1 . 1 80 80 GLY CA C 13 45.233000 . . . . . . . . 80 G CA . 50253 1 299 . 1 . 1 80 80 GLY N N 15 109.737000 . . . . . . . . 80 G N . 50253 1 300 . 1 . 1 81 81 VAL H H 1 7.963000 . . . . . . . . 81 V HN . 50253 1 301 . 1 . 1 81 81 VAL HA H 1 4.177000 . . . . . . . . 81 V HA . 50253 1 302 . 1 . 1 81 81 VAL C C 13 176.311000 . . . . . . . . 81 V CO . 50253 1 303 . 1 . 1 81 81 VAL CA C 13 62.308000 . . . . . . . . 81 V CA . 50253 1 304 . 1 . 1 81 81 VAL CB C 13 33.074000 . . . . . . . . 81 V CB . 50253 1 305 . 1 . 1 81 81 VAL N N 15 119.702000 . . . . . . . . 81 V N . 50253 1 306 . 1 . 1 82 82 THR H H 1 8.316000 . . . . . . . . 82 T HN . 50253 1 307 . 1 . 1 82 82 THR HA H 1 4.293000 . . . . . . . . 82 T HA . 50253 1 308 . 1 . 1 82 82 THR C C 13 173.767000 . . . . . . . . 82 T CO . 50253 1 309 . 1 . 1 82 82 THR CA C 13 61.594000 . . . . . . . . 82 T CA . 50253 1 310 . 1 . 1 82 82 THR CB C 13 69.677000 . . . . . . . . 82 T CB . 50253 1 311 . 1 . 1 82 82 THR N N 15 118.505000 . . . . . . . . 82 T N . 50253 1 312 . 1 . 1 84 84 PRO HA H 1 4.386000 . . . . . . . . 84 P HA . 50253 1 313 . 1 . 1 84 84 PRO CA C 13 63.465000 . . . . . . . . 84 P CA . 50253 1 314 . 1 . 1 84 84 PRO CB C 13 32.046000 . . . . . . . . 84 P CB . 50253 1 315 . 1 . 1 85 85 GLY H H 1 8.539000 . . . . . . . . 85 G HN . 50253 1 316 . 1 . 1 85 85 GLY HA2 H 1 3.944000 . . . . . . . . 85 G HA . 50253 1 317 . 1 . 1 85 85 GLY HA3 H 1 3.944000 . . . . . . . . 85 G HA . 50253 1 318 . 1 . 1 85 85 GLY C C 13 174.263000 . . . . . . . . 85 G CO . 50253 1 319 . 1 . 1 85 85 GLY CA C 13 45.240000 . . . . . . . . 85 G CA . 50253 1 320 . 1 . 1 85 85 GLY N N 15 109.298000 . . . . . . . . 85 G N . 50253 1 321 . 1 . 1 86 86 THR H H 1 7.945000 . . . . . . . . 86 T HN . 50253 1 322 . 1 . 1 86 86 THR HA H 1 4.252000 . . . . . . . . 86 T HA . 50253 1 323 . 1 . 1 86 86 THR C C 13 174.222000 . . . . . . . . 86 T CO . 50253 1 324 . 1 . 1 86 86 THR CA C 13 62.078000 . . . . . . . . 86 T CA . 50253 1 325 . 1 . 1 86 86 THR CB C 13 69.678000 . . . . . . . . 86 T CB . 50253 1 326 . 1 . 1 86 86 THR N N 15 114.174000 . . . . . . . . 86 T N . 50253 1 327 . 1 . 1 87 87 LEU H H 1 8.331000 . . . . . . . . 87 L HN . 50253 1 328 . 1 . 1 87 87 LEU HA H 1 4.368000 . . . . . . . . 87 L HA . 50253 1 329 . 1 . 1 87 87 LEU C C 13 176.973000 . . . . . . . . 87 L CO . 50253 1 330 . 1 . 1 87 87 LEU CA C 13 55.124000 . . . . . . . . 87 L CA . 50253 1 331 . 1 . 1 87 87 LEU CB C 13 42.303000 . . . . . . . . 87 L CB . 50253 1 332 . 1 . 1 87 87 LEU N N 15 125.356000 . . . . . . . . 87 L N . 50253 1 333 . 1 . 1 88 88 ILE H H 1 8.221000 . . . . . . . . 88 I HN . 50253 1 334 . 1 . 1 88 88 ILE HA H 1 4.106000 . . . . . . . . 88 I HA . 50253 1 335 . 1 . 1 88 88 ILE C C 13 176.214000 . . . . . . . . 88 I CO . 50253 1 336 . 1 . 1 88 88 ILE CA C 13 60.946000 . . . . . . . . 88 I CA . 50253 1 337 . 1 . 1 88 88 ILE CB C 13 38.568000 . . . . . . . . 88 I CB . 50253 1 338 . 1 . 1 88 88 ILE N N 15 123.169000 . . . . . . . . 88 I N . 50253 1 339 . 1 . 1 89 89 GLU H H 1 8.531000 . . . . . . . . 89 E HN . 50253 1 340 . 1 . 1 89 89 GLU HA H 1 4.255000 . . . . . . . . 89 E HA . 50253 1 341 . 1 . 1 89 89 GLU CA C 13 56.510000 . . . . . . . . 89 E CA . 50253 1 342 . 1 . 1 89 89 GLU CB C 13 30.475000 . . . . . . . . 89 E CB . 50253 1 343 . 1 . 1 89 89 GLU N N 15 125.615000 . . . . . . . . 89 E N . 50253 1 344 . 1 . 1 90 90 ASP H H 1 8.382000 . . . . . . . . 90 D HN . 50253 1 345 . 1 . 1 90 90 ASP HA H 1 4.567000 . . . . . . . . 90 D HA . 50253 1 346 . 1 . 1 90 90 ASP C C 13 176.373000 . . . . . . . . 90 D CO . 50253 1 347 . 1 . 1 90 90 ASP CA C 13 54.418000 . . . . . . . . 90 D CA . 50253 1 348 . 1 . 1 90 90 ASP CB C 13 41.239000 . . . . . . . . 90 D CB . 50253 1 349 . 1 . 1 90 90 ASP N N 15 122.206000 . . . . . . . . 90 D N . 50253 1 350 . 1 . 1 91 91 SER H H 1 8.273000 . . . . . . . . 91 S HN . 50253 1 351 . 1 . 1 91 91 SER HA H 1 4.366000 . . . . . . . . 91 S HA . 50253 1 352 . 1 . 1 91 91 SER C C 13 174.627000 . . . . . . . . 91 S CO . 50253 1 353 . 1 . 1 91 91 SER CA C 13 58.551000 . . . . . . . . 91 S CA . 50253 1 354 . 1 . 1 91 91 SER CB C 13 63.583000 . . . . . . . . 91 S CB . 50253 1 355 . 1 . 1 91 91 SER N N 15 116.418000 . . . . . . . . 91 S N . 50253 1 356 . 1 . 1 92 92 LYS H H 1 8.342000 . . . . . . . . 92 K HN . 50253 1 357 . 1 . 1 92 92 LYS HA H 1 4.311000 . . . . . . . . 92 K HA . 50253 1 358 . 1 . 1 92 92 LYS C C 13 176.497000 . . . . . . . . 92 K CO . 50253 1 359 . 1 . 1 92 92 LYS CA C 13 56.267000 . . . . . . . . 92 K CA . 50253 1 360 . 1 . 1 92 92 LYS CB C 13 32.808000 . . . . . . . . 92 K CB . 50253 1 361 . 1 . 1 92 92 LYS N N 15 123.208000 . . . . . . . . 92 K N . 50253 1 362 . 1 . 1 93 93 VAL H H 1 8.007000 . . . . . . . . 93 V HN . 50253 1 363 . 1 . 1 93 93 VAL HA H 1 4.029000 . . . . . . . . 93 V HA . 50253 1 364 . 1 . 1 93 93 VAL C C 13 176.055000 . . . . . . . . 93 V CO . 50253 1 365 . 1 . 1 93 93 VAL CA C 13 62.358000 . . . . . . . . 93 V CA . 50253 1 366 . 1 . 1 93 93 VAL CB C 13 32.787000 . . . . . . . . 93 V CB . 50253 1 367 . 1 . 1 93 93 VAL N N 15 121.232000 . . . . . . . . 93 V N . 50253 1 368 . 1 . 1 94 94 GLU H H 1 8.474000 . . . . . . . . 94 E HN . 50253 1 369 . 1 . 1 94 94 GLU HA H 1 4.303000 . . . . . . . . 94 E HA . 50253 1 370 . 1 . 1 94 94 GLU C C 13 176.475000 . . . . . . . . 94 E CO . 50253 1 371 . 1 . 1 94 94 GLU CA C 13 56.359000 . . . . . . . . 94 E CA . 50253 1 372 . 1 . 1 94 94 GLU CB C 13 30.332000 . . . . . . . . 94 E CB . 50253 1 373 . 1 . 1 94 94 GLU N N 15 125.231000 . . . . . . . . 94 E N . 50253 1 374 . 1 . 1 95 95 VAL H H 1 8.228000 . . . . . . . . 95 V HN . 50253 1 375 . 1 . 1 95 95 VAL HA H 1 4.044000 . . . . . . . . 95 V HA . 50253 1 376 . 1 . 1 95 95 VAL C C 13 175.906000 . . . . . . . . 95 V CO . 50253 1 377 . 1 . 1 95 95 VAL CA C 13 62.441000 . . . . . . . . 95 V CA . 50253 1 378 . 1 . 1 95 95 VAL CB C 13 32.749000 . . . . . . . . 95 V CB . 50253 1 379 . 1 . 1 95 95 VAL N N 15 121.572000 . . . . . . . . 95 V N . 50253 1 380 . 1 . 1 96 96 ASN H H 1 8.513000 . . . . . . . . 96 N HN . 50253 1 381 . 1 . 1 96 96 ASN HA H 1 4.689000 . . . . . . . . 96 N HA . 50253 1 382 . 1 . 1 96 96 ASN CA C 13 53.177000 . . . . . . . . 96 N CA . 50253 1 383 . 1 . 1 96 96 ASN CB C 13 38.945000 . . . . . . . . 96 N CB . 50253 1 384 . 1 . 1 96 96 ASN N N 15 121.906000 . . . . . . . . 96 N N . 50253 1 385 . 1 . 1 97 97 ASN H H 1 8.405000 . . . . . . . . 97 N HN . 50253 1 386 . 1 . 1 97 97 ASN HA H 1 4.672000 . . . . . . . . 97 N HA . 50253 1 387 . 1 . 1 97 97 ASN CA C 13 53.418000 . . . . . . . . 97 N CA . 50253 1 388 . 1 . 1 97 97 ASN CB C 13 38.726000 . . . . . . . . 97 N CB . 50253 1 389 . 1 . 1 97 97 ASN N N 15 119.542000 . . . . . . . . 97 N N . 50253 1 390 . 1 . 1 98 98 LEU H H 1 8.219000 . . . . . . . . 98 L HN . 50253 1 391 . 1 . 1 98 98 LEU HA H 1 4.242000 . . . . . . . . 98 L HA . 50253 1 392 . 1 . 1 98 98 LEU C C 13 177.442000 . . . . . . . . 98 L CO . 50253 1 393 . 1 . 1 98 98 LEU CA C 13 55.639000 . . . . . . . . 98 L CA . 50253 1 394 . 1 . 1 98 98 LEU CB C 13 41.953000 . . . . . . . . 98 L CB . 50253 1 395 . 1 . 1 98 98 LEU N N 15 121.982000 . . . . . . . . 98 L N . 50253 1 396 . 1 . 1 99 99 ASN H H 1 8.323000 . . . . . . . . 99 N HN . 50253 1 397 . 1 . 1 99 99 ASN HA H 1 4.625000 . . . . . . . . 99 N HA . 50253 1 398 . 1 . 1 99 99 ASN CA C 13 53.482000 . . . . . . . . 99 N CA . 50253 1 399 . 1 . 1 99 99 ASN CB C 13 38.705000 . . . . . . . . 99 N CB . 50253 1 400 . 1 . 1 99 99 ASN N N 15 118.019000 . . . . . . . . 99 N N . 50253 1 401 . 1 . 1 100 100 ASN H H 1 8.216000 . . . . . . . . 100 N HN . 50253 1 402 . 1 . 1 100 100 ASN HA H 1 4.648000 . . . . . . . . 100 N HA . 50253 1 403 . 1 . 1 100 100 ASN CA C 13 53.406000 . . . . . . . . 100 N CA . 50253 1 404 . 1 . 1 100 100 ASN CB C 13 38.682000 . . . . . . . . 100 N CB . 50253 1 405 . 1 . 1 100 100 ASN N N 15 118.491000 . . . . . . . . 100 N N . 50253 1 406 . 1 . 1 101 101 LEU H H 1 8.116000 . . . . . . . . 101 L HN . 50253 1 407 . 1 . 1 101 101 LEU CA C 13 55.519000 . . . . . . . . 101 L CA . 50253 1 408 . 1 . 1 101 101 LEU CB C 13 42.109000 . . . . . . . . 101 L CB . 50253 1 409 . 1 . 1 101 101 LEU N N 15 121.720000 . . . . . . . . 101 L N . 50253 1 410 . 1 . 1 105 105 ASP HA H 1 4.517000 . . . . . . . . 105 D HA . 50253 1 411 . 1 . 1 105 105 ASP C C 13 176.272000 . . . . . . . . 105 D CO . 50253 1 412 . 1 . 1 105 105 ASP CA C 13 54.526000 . . . . . . . . 105 D CA . 50253 1 413 . 1 . 1 106 106 ARG H H 1 8.210000 . . . . . . . . 106 R HN . 50253 1 414 . 1 . 1 106 106 ARG HA H 1 4.231000 . . . . . . . . 106 R HA . 50253 1 415 . 1 . 1 106 106 ARG C C 13 176.386000 . . . . . . . . 106 R CO . 50253 1 416 . 1 . 1 106 106 ARG CA C 13 56.240000 . . . . . . . . 106 R CA . 50253 1 417 . 1 . 1 106 106 ARG CB C 13 30.481000 . . . . . . . . 106 R CB . 50253 1 418 . 1 . 1 106 106 ARG N N 15 121.245000 . . . . . . . . 106 R N . 50253 1 419 . 1 . 1 107 107 LYS H H 1 8.297000 . . . . . . . . 107 K HN . 50253 1 420 . 1 . 1 107 107 LYS HA H 1 4.185000 . . . . . . . . 107 K HA . 50253 1 421 . 1 . 1 107 107 LYS C C 13 176.464000 . . . . . . . . 107 K CO . 50253 1 422 . 1 . 1 107 107 LYS CA C 13 56.470000 . . . . . . . . 107 K CA . 50253 1 423 . 1 . 1 107 107 LYS CB C 13 32.790000 . . . . . . . . 107 K CB . 50253 1 424 . 1 . 1 107 107 LYS N N 15 121.838000 . . . . . . . . 107 K N . 50253 1 425 . 1 . 1 108 108 HIS H H 1 8.212000 . . . . . . . . 108 H HN . 50253 1 426 . 1 . 1 108 108 HIS HA H 1 4.570000 . . . . . . . . 108 H HA . 50253 1 427 . 1 . 1 108 108 HIS C C 13 174.798000 . . . . . . . . 108 H CO . 50253 1 428 . 1 . 1 108 108 HIS CA C 13 55.841000 . . . . . . . . 108 H CA . 50253 1 429 . 1 . 1 108 108 HIS CB C 13 30.712000 . . . . . . . . 108 H CB . 50253 1 430 . 1 . 1 108 108 HIS N N 15 120.019000 . . . . . . . . 108 H N . 50253 1 431 . 1 . 1 109 109 ALA H H 1 8.264000 . . . . . . . . 109 A HN . 50253 1 432 . 1 . 1 109 109 ALA HA H 1 4.319000 . . . . . . . . 109 A HA . 50253 1 433 . 1 . 1 109 109 ALA C C 13 177.432000 . . . . . . . . 109 A CO . 50253 1 434 . 1 . 1 109 109 ALA CA C 13 52.219000 . . . . . . . . 109 A CA . 50253 1 435 . 1 . 1 109 109 ALA CB C 13 19.457000 . . . . . . . . 109 A CB . 50253 1 436 . 1 . 1 109 109 ALA N N 15 125.694000 . . . . . . . . 109 A N . 50253 1 437 . 1 . 1 110 110 VAL H H 1 8.184000 . . . . . . . . 110 V HN . 50253 1 438 . 1 . 1 110 110 VAL HA H 1 4.076000 . . . . . . . . 110 V HA . 50253 1 439 . 1 . 1 110 110 VAL C C 13 176.717000 . . . . . . . . 110 V CO . 50253 1 440 . 1 . 1 110 110 VAL CA C 13 62.371000 . . . . . . . . 110 V CA . 50253 1 441 . 1 . 1 110 110 VAL CB C 13 32.855000 . . . . . . . . 110 V CB . 50253 1 442 . 1 . 1 110 110 VAL N N 15 119.333000 . . . . . . . . 110 V N . 50253 1 443 . 1 . 1 111 111 GLY H H 1 8.471000 . . . . . . . . 111 G HN . 50253 1 444 . 1 . 1 111 111 GLY HA2 H 1 3.945000 . . . . . . . . 111 G HA . 50253 1 445 . 1 . 1 111 111 GLY HA3 H 1 3.945000 . . . . . . . . 111 G HA . 50253 1 446 . 1 . 1 111 111 GLY C C 13 174.073000 . . . . . . . . 111 G CO . 50253 1 447 . 1 . 1 111 111 GLY CA C 13 45.169000 . . . . . . . . 111 G CA . 50253 1 448 . 1 . 1 111 111 GLY N N 15 112.393000 . . . . . . . . 111 G N . 50253 1 449 . 1 . 1 112 112 ASP H H 1 8.261000 . . . . . . . . 112 D HN . 50253 1 450 . 1 . 1 112 112 ASP HA H 1 4.565000 . . . . . . . . 112 D HA . 50253 1 451 . 1 . 1 112 112 ASP C C 13 176.235000 . . . . . . . . 112 D CO . 50253 1 452 . 1 . 1 112 112 ASP CA C 13 54.511000 . . . . . . . . 112 D CA . 50253 1 453 . 1 . 1 112 112 ASP CB C 13 41.163000 . . . . . . . . 112 D CB . 50253 1 454 . 1 . 1 112 112 ASP N N 15 120.901000 . . . . . . . . 112 D N . 50253 1 455 . 1 . 1 113 113 ASP H H 1 8.339000 . . . . . . . . 113 D HN . 50253 1 456 . 1 . 1 113 113 ASP HA H 1 4.508000 . . . . . . . . 113 D HA . 50253 1 457 . 1 . 1 113 113 ASP C C 13 176.257000 . . . . . . . . 113 D CO . 50253 1 458 . 1 . 1 113 113 ASP CA C 13 54.532000 . . . . . . . . 113 D CA . 50253 1 459 . 1 . 1 113 113 ASP CB C 13 40.944000 . . . . . . . . 113 D CB . 50253 1 460 . 1 . 1 113 113 ASP N N 15 120.282000 . . . . . . . . 113 D N . 50253 1 461 . 1 . 1 114 114 ALA H H 1 8.111000 . . . . . . . . 114 A HN . 50253 1 462 . 1 . 1 114 114 ALA HA H 1 4.189000 . . . . . . . . 114 A HA . 50253 1 463 . 1 . 1 114 114 ALA C C 13 177.733000 . . . . . . . . 114 A CO . 50253 1 464 . 1 . 1 114 114 ALA CA C 13 52.781000 . . . . . . . . 114 A CA . 50253 1 465 . 1 . 1 114 114 ALA CB C 13 19.126000 . . . . . . . . 114 A CB . 50253 1 466 . 1 . 1 114 114 ALA N N 15 123.872000 . . . . . . . . 114 A N . 50253 1 467 . 1 . 1 115 115 GLN H H 1 8.161000 . . . . . . . . 115 Q HN . 50253 1 468 . 1 . 1 115 115 GLN HA H 1 4.191000 . . . . . . . . 115 Q HA . 50253 1 469 . 1 . 1 115 115 GLN C C 13 175.684000 . . . . . . . . 115 Q CO . 50253 1 470 . 1 . 1 115 115 GLN CA C 13 55.854000 . . . . . . . . 115 Q CA . 50253 1 471 . 1 . 1 115 115 GLN CB C 13 29.337000 . . . . . . . . 115 Q CB . 50253 1 472 . 1 . 1 115 115 GLN N N 15 118.586000 . . . . . . . . 115 Q N . 50253 1 473 . 1 . 1 116 116 PHE H H 1 8.070000 . . . . . . . . 116 F HN . 50253 1 474 . 1 . 1 116 116 PHE HA H 1 4.608000 . . . . . . . . 116 F HA . 50253 1 475 . 1 . 1 116 116 PHE C C 13 175.550000 . . . . . . . . 116 F CO . 50253 1 476 . 1 . 1 116 116 PHE CA C 13 57.534000 . . . . . . . . 116 F CA . 50253 1 477 . 1 . 1 116 116 PHE CB C 13 39.655000 . . . . . . . . 116 F CB . 50253 1 478 . 1 . 1 116 116 PHE N N 15 120.642000 . . . . . . . . 116 F N . 50253 1 479 . 1 . 1 117 117 GLU H H 1 8.258000 . . . . . . . . 117 E HN . 50253 1 480 . 1 . 1 117 117 GLU HA H 1 4.215000 . . . . . . . . 117 E HA . 50253 1 481 . 1 . 1 117 117 GLU C C 13 175.923000 . . . . . . . . 117 E CO . 50253 1 482 . 1 . 1 117 117 GLU CA C 13 56.450000 . . . . . . . . 117 E CA . 50253 1 483 . 1 . 1 117 117 GLU CB C 13 30.334000 . . . . . . . . 117 E CB . 50253 1 484 . 1 . 1 117 117 GLU N N 15 122.182000 . . . . . . . . 117 E N . 50253 1 485 . 1 . 1 118 118 MET H H 1 8.251000 . . . . . . . . 118 M HN . 50253 1 486 . 1 . 1 118 118 MET HA H 1 4.433000 . . . . . . . . 118 M HA . 50253 1 487 . 1 . 1 118 118 MET CA C 13 55.196000 . . . . . . . . 118 M CA . 50253 1 488 . 1 . 1 118 118 MET CB C 13 33.398000 . . . . . . . . 118 M CB . 50253 1 489 . 1 . 1 118 118 MET N N 15 120.959000 . . . . . . . . 118 M N . 50253 1 490 . 1 . 1 119 119 ASP H H 1 8.421000 . . . . . . . . 119 D HN . 50253 1 491 . 1 . 1 119 119 ASP HA H 1 4.624000 . . . . . . . . 119 D HA . 50253 1 492 . 1 . 1 119 119 ASP C C 13 174.965000 . . . . . . . . 119 D CO . 50253 1 493 . 1 . 1 119 119 ASP CA C 13 54.310000 . . . . . . . . 119 D CA . 50253 1 494 . 1 . 1 119 119 ASP CB C 13 40.875000 . . . . . . . . 119 D CB . 50253 1 495 . 1 . 1 119 119 ASP N N 15 122.390000 . . . . . . . . 119 D N . 50253 1 496 . 1 . 1 120 120 ILE H H 1 7.584000 . . . . . . . . 120 I HN . 50253 1 497 . 1 . 1 120 120 ILE CA C 13 62.707000 . . . . . . . . 120 I CA . 50253 1 498 . 1 . 1 120 120 ILE CB C 13 39.825000 . . . . . . . . 120 I CB . 50253 1 499 . 1 . 1 120 120 ILE N N 15 124.699000 . . . . . . . . 120 I N . 50253 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 50253 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 5phos_pH3 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 7 '2D 1H-15N HSQC' . . . 50253 2 8 '3D HNCO' . . . 50253 2 9 '3D CBCA(CO)NH' . . . 50253 2 10 '3D HNCACB' . . . 50253 2 11 '3D HBHA(CO)NH' . . . 50253 2 12 '3D 1H-15N NOESY' . . . 50253 2 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 . . 50253 2 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 MET HA H 1 4.546000 . . . . . . . . 1 M HA . 50253 2 2 . 1 . 1 1 1 MET CA C 13 55.789000 . . . . . . . . 1 M CA . 50253 2 3 . 1 . 1 1 1 MET CB C 13 32.936000 . . . . . . . . 1 M CB . 50253 2 4 . 1 . 1 2 2 SER H H 1 8.493000 . . . . . . . . 2 S HN . 50253 2 5 . 1 . 1 2 2 SER HA H 1 4.478000 . . . . . . . . 2 S HA . 50253 2 6 . 1 . 1 2 2 SER CA C 13 58.376000 . . . . . . . . 2 S CA . 50253 2 7 . 1 . 1 2 2 SER CB C 13 63.814000 . . . . . . . . 2 S CB . 50253 2 8 . 1 . 1 2 2 SER N N 15 117.559000 . . . . . . . . 2 S N . 50253 2 9 . 1 . 1 3 3 SER H H 1 8.430000 . . . . . . . . 3 S HN . 50253 2 10 . 1 . 1 3 3 SER HA H 1 4.452000 . . . . . . . . 3 S HA . 50253 2 11 . 1 . 1 3 3 SER CA C 13 58.432000 . . . . . . . . 3 S CA . 50253 2 12 . 1 . 1 3 3 SER CB C 13 63.816000 . . . . . . . . 3 S CB . 50253 2 13 . 1 . 1 3 3 SER N N 15 118.151000 . . . . . . . . 3 S N . 50253 2 14 . 1 . 1 4 4 SER H H 1 8.381000 . . . . . . . . 4 S HN . 50253 2 15 . 1 . 1 4 4 SER HA H 1 4.444000 . . . . . . . . 4 S HA . 50253 2 16 . 1 . 1 4 4 SER CA C 13 58.415000 . . . . . . . . 4 S CA . 50253 2 17 . 1 . 1 4 4 SER CB C 13 63.787000 . . . . . . . . 4 S CB . 50253 2 18 . 1 . 1 4 4 SER N N 15 117.946000 . . . . . . . . 4 S N . 50253 2 19 . 1 . 1 5 5 ALA H H 1 8.297000 . . . . . . . . 5 A HN . 50253 2 20 . 1 . 1 5 5 ALA HA H 1 4.306000 . . . . . . . . 5 A HA . 50253 2 21 . 1 . 1 5 5 ALA CA C 13 52.895000 . . . . . . . . 5 A CA . 50253 2 22 . 1 . 1 5 5 ALA CB C 13 19.127000 . . . . . . . . 5 A CB . 50253 2 23 . 1 . 1 5 5 ALA N N 15 125.979000 . . . . . . . . 5 A N . 50253 2 24 . 1 . 1 6 6 GLY H H 1 8.340000 . . . . . . . . 6 G HN . 50253 2 25 . 1 . 1 6 6 GLY HA2 H 1 3.970000 . . . . . . . . 6 G HA . 50253 2 26 . 1 . 1 6 6 GLY HA3 H 1 3.970000 . . . . . . . . 6 G HA . 50253 2 27 . 1 . 1 6 6 GLY CA C 13 45.308000 . . . . . . . . 6 G CA . 50253 2 28 . 1 . 1 6 6 GLY N N 15 108.065000 . . . . . . . . 6 G N . 50253 2 29 . 1 . 1 7 7 SER H H 1 8.243000 . . . . . . . . 7 S HN . 50253 2 30 . 1 . 1 7 7 SER HA H 1 4.409000 . . . . . . . . 7 S HA . 50253 2 31 . 1 . 1 7 7 SER CA C 13 58.565000 . . . . . . . . 7 S CA . 50253 2 32 . 1 . 1 7 7 SER CB C 13 63.898000 . . . . . . . . 7 S CB . 50253 2 33 . 1 . 1 7 7 SER N N 15 115.632000 . . . . . . . . 7 S N . 50253 2 34 . 1 . 1 8 8 GLY H H 1 8.470000 . . . . . . . . 8 G HN . 50253 2 35 . 1 . 1 8 8 GLY HA2 H 1 3.906000 . . . . . . . . 8 G HA . 50253 2 36 . 1 . 1 8 8 GLY HA3 H 1 3.906000 . . . . . . . . 8 G HA . 50253 2 37 . 1 . 1 8 8 GLY CA C 13 45.298000 . . . . . . . . 8 G CA . 50253 2 38 . 1 . 1 8 8 GLY N N 15 110.420000 . . . . . . . . 8 G N . 50253 2 39 . 1 . 1 9 9 HIS H H 1 8.332000 . . . . . . . . 9 H HN . 50253 2 40 . 1 . 1 9 9 HIS HA H 1 4.679000 . . . . . . . . 9 H HA . 50253 2 41 . 1 . 1 9 9 HIS CA C 13 55.043000 . . . . . . . . 9 H CA . 50253 2 42 . 1 . 1 9 9 HIS CB C 13 29.015000 . . . . . . . . 9 H CB . 50253 2 43 . 1 . 1 9 9 HIS N N 15 117.926000 . . . . . . . . 9 H N . 50253 2 44 . 1 . 1 10 10 GLN H H 1 8.521000 . . . . . . . . 10 Q HN . 50253 2 45 . 1 . 1 10 10 GLN HA H 1 4.596000 . . . . . . . . 10 Q HA . 50253 2 46 . 1 . 1 10 10 GLN CA C 13 53.889000 . . . . . . . . 10 Q CA . 50253 2 47 . 1 . 1 10 10 GLN CB C 13 28.832000 . . . . . . . . 10 Q CB . 50253 2 48 . 1 . 1 10 10 GLN N N 15 123.083000 . . . . . . . . 10 Q N . 50253 2 49 . 1 . 1 11 11 PRO HA H 1 4.369000 . . . . . . . . 11 P HA . 50253 2 50 . 1 . 1 11 11 PRO CA C 13 63.255000 . . . . . . . . 11 P CA . 50253 2 51 . 1 . 1 11 11 PRO CB C 13 32.137000 . . . . . . . . 11 P CB . 50253 2 52 . 1 . 1 12 12 SER H H 1 8.474000 . . . . . . . . 12 S HN . 50253 2 53 . 1 . 1 12 12 SER HA H 1 4.363000 . . . . . . . . 12 S HA . 50253 2 54 . 1 . 1 12 12 SER CA C 13 58.521000 . . . . . . . . 12 S CA . 50253 2 55 . 1 . 1 12 12 SER CB C 13 63.721000 . . . . . . . . 12 S CB . 50253 2 56 . 1 . 1 12 12 SER N N 15 116.228000 . . . . . . . . 12 S N . 50253 2 57 . 1 . 1 13 13 GLN H H 1 8.460000 . . . . . . . . 13 Q HN . 50253 2 58 . 1 . 1 13 13 GLN HA H 1 4.381000 . . . . . . . . 13 Q HA . 50253 2 59 . 1 . 1 13 13 GLN CA C 13 55.807000 . . . . . . . . 13 Q CA . 50253 2 60 . 1 . 1 13 13 GLN CB C 13 29.524000 . . . . . . . . 13 Q CB . 50253 2 61 . 1 . 1 13 13 GLN N N 15 122.313000 . . . . . . . . 13 Q N . 50253 2 62 . 1 . 1 14 14 SER H H 1 8.354000 . . . . . . . . 14 S HN . 50253 2 63 . 1 . 1 14 14 SER HA H 1 4.389000 . . . . . . . . 14 S HA . 50253 2 64 . 1 . 1 14 14 SER CA C 13 58.423000 . . . . . . . . 14 S CA . 50253 2 65 . 1 . 1 14 14 SER CB C 13 63.764000 . . . . . . . . 14 S CB . 50253 2 66 . 1 . 1 14 14 SER N N 15 117.303000 . . . . . . . . 14 S N . 50253 2 67 . 1 . 1 15 15 ARG H H 1 8.330000 . . . . . . . . 15 R HN . 50253 2 68 . 1 . 1 15 15 ARG HA H 1 4.322000 . . . . . . . . 15 R HA . 50253 2 69 . 1 . 1 15 15 ARG CA C 13 55.779000 . . . . . . . . 15 R CA . 50253 2 70 . 1 . 1 15 15 ARG CB C 13 30.950000 . . . . . . . . 15 R CB . 50253 2 71 . 1 . 1 15 15 ARG N N 15 123.213000 . . . . . . . . 15 R N . 50253 2 72 . 1 . 1 18 18 PRO HA H 1 4.969000 . . . . . . . . 18 P HA . 50253 2 73 . 1 . 1 18 18 PRO CA C 13 63.379000 . . . . . . . . 18 P CA . 50253 2 74 . 1 . 1 18 18 PRO CB C 13 32.038000 . . . . . . . . 18 P CB . 50253 2 75 . 1 . 1 19 19 THR H H 1 8.185000 . . . . . . . . 19 T HN . 50253 2 76 . 1 . 1 19 19 THR HA H 1 4.513000 . . . . . . . . 19 T HA . 50253 2 77 . 1 . 1 19 19 THR C C 13 174.182000 . . . . . . . . 19 T CO . 50253 2 78 . 1 . 1 19 19 THR CA C 13 61.326000 . . . . . . . . 19 T CA . 50253 2 79 . 1 . 1 19 19 THR CB C 13 71.453000 . . . . . . . . 19 T CB . 50253 2 80 . 1 . 1 19 19 THR N N 15 115.537000 . . . . . . . . 19 T N . 50253 2 81 . 1 . 1 20 20 ARG H H 1 8.653000 . . . . . . . . 20 R HN . 50253 2 82 . 1 . 1 20 20 ARG HA H 1 4.487000 . . . . . . . . 20 R HA . 50253 2 83 . 1 . 1 20 20 ARG CA C 13 55.562000 . . . . . . . . 20 R CA . 50253 2 84 . 1 . 1 20 20 ARG CB C 13 32.630000 . . . . . . . . 20 R CB . 50253 2 85 . 1 . 1 20 20 ARG N N 15 124.186000 . . . . . . . . 20 R N . 50253 2 86 . 1 . 1 21 21 THR H H 1 8.420000 . . . . . . . . 21 T HN . 50253 2 87 . 1 . 1 21 21 THR HA H 1 4.828000 . . . . . . . . 21 T HA . 50253 2 88 . 1 . 1 21 21 THR CA C 13 61.789000 . . . . . . . . 21 T CA . 50253 2 89 . 1 . 1 21 21 THR CB C 13 70.005000 . . . . . . . . 21 T CB . 50253 2 90 . 1 . 1 21 21 THR N N 15 117.791000 . . . . . . . . 21 T N . 50253 2 91 . 1 . 1 22 22 VAL HA H 1 4.740000 . . . . . . . . 22 V HA . 50253 2 92 . 1 . 1 22 22 VAL C C 13 174.484000 . . . . . . . . 22 V CO . 50253 2 93 . 1 . 1 22 22 VAL CA C 13 61.167000 . . . . . . . . 22 V CA . 50253 2 94 . 1 . 1 22 22 VAL CB C 13 34.378000 . . . . . . . . 22 V CB . 50253 2 95 . 1 . 1 23 23 ALA H H 1 8.570000 . . . . . . . . 23 A HN . 50253 2 96 . 1 . 1 23 23 ALA HA H 1 4.236000 . . . . . . . . 23 A HA . 50253 2 97 . 1 . 1 23 23 ALA CA C 13 51.611000 . . . . . . . . 23 A CA . 50253 2 98 . 1 . 1 23 23 ALA CB C 13 19.463000 . . . . . . . . 23 A CB . 50253 2 99 . 1 . 1 23 23 ALA N N 15 129.007000 . . . . . . . . 23 A N . 50253 2 100 . 1 . 1 24 24 ILE HA H 1 4.526000 . . . . . . . . 24 I HA . 50253 2 101 . 1 . 1 24 24 ILE C C 13 175.763000 . . . . . . . . 24 I CO . 50253 2 102 . 1 . 1 24 24 ILE CB C 13 39.435000 . . . . . . . . 24 I CB . 50253 2 103 . 1 . 1 25 25 SER H H 1 8.803000 . . . . . . . . 25 S HN . 50253 2 104 . 1 . 1 25 25 SER HA H 1 4.526000 . . . . . . . . 25 S HA . 50253 2 105 . 1 . 1 25 25 SER CA C 13 58.811000 . . . . . . . . 25 S CA . 50253 2 106 . 1 . 1 25 25 SER CB C 13 64.197000 . . . . . . . . 25 S CB . 50253 2 107 . 1 . 1 25 25 SER N N 15 119.067000 . . . . . . . . 25 S N . 50253 2 108 . 1 . 1 26 26 ASP HA H 1 4.433000 . . . . . . . . 26 D HA . 50253 2 109 . 1 . 1 26 26 ASP C C 13 174.546000 . . . . . . . . 26 D CO . 50253 2 110 . 1 . 1 26 26 ASP CA C 13 52.660000 . . . . . . . . 26 D CA . 50253 2 111 . 1 . 1 26 26 ASP CB C 13 39.780000 . . . . . . . . 26 D CB . 50253 2 112 . 1 . 1 27 27 ALA H H 1 8.404000 . . . . . . . . 27 A HN . 50253 2 113 . 1 . 1 27 27 ALA HA H 1 3.832000 . . . . . . . . 27 A HA . 50253 2 114 . 1 . 1 27 27 ALA C C 13 178.253000 . . . . . . . . 27 A CO . 50253 2 115 . 1 . 1 27 27 ALA CA C 13 53.987000 . . . . . . . . 27 A CA . 50253 2 116 . 1 . 1 27 27 ALA CB C 13 18.354000 . . . . . . . . 27 A CB . 50253 2 117 . 1 . 1 27 27 ALA N N 15 124.265000 . . . . . . . . 27 A N . 50253 2 118 . 1 . 1 28 28 ALA H H 1 8.100000 . . . . . . . . 28 A HN . 50253 2 119 . 1 . 1 28 28 ALA HA H 1 4.181000 . . . . . . . . 28 A HA . 50253 2 120 . 1 . 1 28 28 ALA C C 13 177.894000 . . . . . . . . 28 A CO . 50253 2 121 . 1 . 1 28 28 ALA CA C 13 53.422000 . . . . . . . . 28 A CA . 50253 2 122 . 1 . 1 28 28 ALA CB C 13 18.463000 . . . . . . . . 28 A CB . 50253 2 123 . 1 . 1 28 28 ALA N N 15 120.745000 . . . . . . . . 28 A N . 50253 2 124 . 1 . 1 29 29 GLN H H 1 7.674000 . . . . . . . . 29 Q HN . 50253 2 125 . 1 . 1 29 29 GLN HA H 1 4.181000 . . . . . . . . 29 Q HA . 50253 2 126 . 1 . 1 29 29 GLN C C 13 175.934000 . . . . . . . . 29 Q CO . 50253 2 127 . 1 . 1 29 29 GLN CA C 13 55.606000 . . . . . . . . 29 Q CA . 50253 2 128 . 1 . 1 29 29 GLN CB C 13 29.915000 . . . . . . . . 29 Q CB . 50253 2 129 . 1 . 1 29 29 GLN N N 15 115.832000 . . . . . . . . 29 Q N . 50253 2 130 . 1 . 1 31 31 PRO HA H 1 4.425000 . . . . . . . . 31 P HA . 50253 2 131 . 1 . 1 31 31 PRO CA C 13 62.415000 . . . . . . . . 31 P CA . 50253 2 132 . 1 . 1 31 31 PRO CB C 13 32.082000 . . . . . . . . 31 P CB . 50253 2 133 . 1 . 1 32 32 HIS H H 1 8.635000 . . . . . . . . 32 H HN . 50253 2 134 . 1 . 1 32 32 HIS HA H 1 4.371000 . . . . . . . . 32 H HA . 50253 2 135 . 1 . 1 32 32 HIS C C 13 175.311000 . . . . . . . . 32 H CO . 50253 2 136 . 1 . 1 32 32 HIS CA C 13 56.952000 . . . . . . . . 32 H CA . 50253 2 137 . 1 . 1 32 32 HIS CB C 13 28.405000 . . . . . . . . 32 H CB . 50253 2 138 . 1 . 1 32 32 HIS N N 15 116.976000 . . . . . . . . 32 H N . 50253 2 139 . 1 . 1 33 33 ASP H H 1 8.231000 . . . . . . . . 33 D HN . 50253 2 140 . 1 . 1 33 33 ASP HA H 1 4.671000 . . . . . . . . 33 D HA . 50253 2 141 . 1 . 1 33 33 ASP C C 13 174.040000 . . . . . . . . 33 D CO . 50253 2 142 . 1 . 1 33 33 ASP CA C 13 52.299000 . . . . . . . . 33 D CA . 50253 2 143 . 1 . 1 33 33 ASP CB C 13 38.193000 . . . . . . . . 33 D CB . 50253 2 144 . 1 . 1 33 33 ASP N N 15 116.238000 . . . . . . . . 33 D N . 50253 2 145 . 1 . 1 34 34 TYR H H 1 7.503000 . . . . . . . . 34 Y HN . 50253 2 146 . 1 . 1 34 34 TYR HA H 1 4.671000 . . . . . . . . 34 Y HA . 50253 2 147 . 1 . 1 34 34 TYR C C 13 174.030000 . . . . . . . . 34 Y CO . 50253 2 148 . 1 . 1 34 34 TYR CA C 13 57.209000 . . . . . . . . 34 Y CA . 50253 2 149 . 1 . 1 34 34 TYR CB C 13 38.530000 . . . . . . . . 34 Y CB . 50253 2 150 . 1 . 1 34 34 TYR N N 15 117.975000 . . . . . . . . 34 Y N . 50253 2 151 . 1 . 1 35 35 CYS H H 1 8.990000 . . . . . . . . 35 C HN . 50253 2 152 . 1 . 1 35 35 CYS HA H 1 4.505000 . . . . . . . . 35 C HA . 50253 2 153 . 1 . 1 35 35 CYS C C 13 172.611000 . . . . . . . . 35 C CO . 50253 2 154 . 1 . 1 35 35 CYS CA C 13 57.282000 . . . . . . . . 35 C CA . 50253 2 155 . 1 . 1 35 35 CYS CB C 13 30.675000 . . . . . . . . 35 C CB . 50253 2 156 . 1 . 1 35 35 CYS N N 15 120.174000 . . . . . . . . 35 C N . 50253 2 157 . 1 . 1 36 36 THR H H 1 8.174000 . . . . . . . . 36 T HN . 50253 2 158 . 1 . 1 36 36 THR HA H 1 5.756000 . . . . . . . . 36 T HA . 50253 2 159 . 1 . 1 36 36 THR C C 13 175.895000 . . . . . . . . 36 T CO . 50253 2 160 . 1 . 1 36 36 THR CA C 13 59.915000 . . . . . . . . 36 T CA . 50253 2 161 . 1 . 1 36 36 THR CB C 13 71.378000 . . . . . . . . 36 T CB . 50253 2 162 . 1 . 1 36 36 THR N N 15 112.993000 . . . . . . . . 36 T N . 50253 2 163 . 1 . 1 37 37 THR HA H 1 5.059000 . . . . . . . . 37 T HA . 50253 2 164 . 1 . 1 37 37 THR CA C 13 60.325000 . . . . . . . . 37 T CA . 50253 2 165 . 1 . 1 37 37 THR CB C 13 71.527000 . . . . . . . . 37 T CB . 50253 2 166 . 1 . 1 38 38 PRO HA H 1 4.262000 . . . . . . . . 38 P HA . 50253 2 167 . 1 . 1 38 38 PRO CA C 13 66.559000 . . . . . . . . 38 P CA . 50253 2 168 . 1 . 1 38 38 PRO CB C 13 32.036000 . . . . . . . . 38 P CB . 50253 2 169 . 1 . 1 39 39 GLY H H 1 9.635000 . . . . . . . . 39 G HN . 50253 2 170 . 1 . 1 39 39 GLY HA2 H 1 4.098000 . . . . . . . . 39 G HA . 50253 2 171 . 1 . 1 39 39 GLY HA3 H 1 4.098000 . . . . . . . . 39 G HA . 50253 2 172 . 1 . 1 39 39 GLY C C 13 175.513000 . . . . . . . . 39 G CO . 50253 2 173 . 1 . 1 39 39 GLY CA C 13 45.442000 . . . . . . . . 39 G CA . 50253 2 174 . 1 . 1 39 39 GLY N N 15 105.615000 . . . . . . . . 39 G N . 50253 2 175 . 1 . 1 41 41 THR HA H 1 5.357000 . . . . . . . . 41 T HA . 50253 2 176 . 1 . 1 41 41 THR C C 13 173.021000 . . . . . . . . 41 T CO . 50253 2 177 . 1 . 1 41 41 THR CA C 13 65.902000 . . . . . . . . 41 T CA . 50253 2 178 . 1 . 1 41 41 THR CB C 13 70.144000 . . . . . . . . 41 T CB . 50253 2 179 . 1 . 1 42 42 LEU H H 1 8.783000 . . . . . . . . 42 L HN . 50253 2 180 . 1 . 1 42 42 LEU HA H 1 4.074000 . . . . . . . . 42 L HA . 50253 2 181 . 1 . 1 42 42 LEU C C 13 176.292000 . . . . . . . . 42 L CO . 50253 2 182 . 1 . 1 42 42 LEU CA C 13 54.326000 . . . . . . . . 42 L CA . 50253 2 183 . 1 . 1 42 42 LEU CB C 13 44.402000 . . . . . . . . 42 L CB . 50253 2 184 . 1 . 1 42 42 LEU N N 15 128.643000 . . . . . . . . 42 L N . 50253 2 185 . 1 . 1 43 43 PHE H H 1 9.148000 . . . . . . . . 43 F HN . 50253 2 186 . 1 . 1 43 43 PHE HA H 1 6.026000 . . . . . . . . 43 F HA . 50253 2 187 . 1 . 1 43 43 PHE C C 13 173.405000 . . . . . . . . 43 F CO . 50253 2 188 . 1 . 1 43 43 PHE CA C 13 56.666000 . . . . . . . . 43 F CA . 50253 2 189 . 1 . 1 43 43 PHE CB C 13 35.459000 . . . . . . . . 43 F CB . 50253 2 190 . 1 . 1 43 43 PHE N N 15 118.975000 . . . . . . . . 43 F N . 50253 2 191 . 1 . 1 44 44 SER H H 1 9.397000 . . . . . . . . 44 S HN . 50253 2 192 . 1 . 1 44 44 SER HA H 1 4.819000 . . . . . . . . 44 S HA . 50253 2 193 . 1 . 1 44 44 SER C C 13 172.907000 . . . . . . . . 44 S CO . 50253 2 194 . 1 . 1 44 44 SER CA C 13 57.429000 . . . . . . . . 44 S CA . 50253 2 195 . 1 . 1 44 44 SER CB C 13 65.836000 . . . . . . . . 44 S CB . 50253 2 196 . 1 . 1 44 44 SER N N 15 115.191000 . . . . . . . . 44 S N . 50253 2 197 . 1 . 1 45 45 THR H H 1 8.338000 . . . . . . . . 45 T HN . 50253 2 198 . 1 . 1 45 45 THR HA H 1 5.613000 . . . . . . . . 45 T HA . 50253 2 199 . 1 . 1 45 45 THR C C 13 175.573000 . . . . . . . . 45 T CO . 50253 2 200 . 1 . 1 45 45 THR CA C 13 60.548000 . . . . . . . . 45 T CA . 50253 2 201 . 1 . 1 45 45 THR CB C 13 71.050000 . . . . . . . . 45 T CB . 50253 2 202 . 1 . 1 45 45 THR N N 15 114.216000 . . . . . . . . 45 T N . 50253 2 203 . 1 . 1 46 46 THR HA H 1 4.901000 . . . . . . . . 46 T HA . 50253 2 204 . 1 . 1 46 46 THR CA C 13 60.516000 . . . . . . . . 46 T CA . 50253 2 205 . 1 . 1 46 46 THR CB C 13 71.232000 . . . . . . . . 46 T CB . 50253 2 206 . 1 . 1 47 47 PRO HA H 1 4.262000 . . . . . . . . 47 P HA . 50253 2 207 . 1 . 1 47 47 PRO CA C 13 66.559000 . . . . . . . . 47 P CA . 50253 2 208 . 1 . 1 47 47 PRO CB C 13 32.036000 . . . . . . . . 47 P CB . 50253 2 209 . 1 . 1 48 48 GLY H H 1 9.664000 . . . . . . . . 48 G HN . 50253 2 210 . 1 . 1 48 48 GLY HA2 H 1 4.098000 . . . . . . . . 48 G HA . 50253 2 211 . 1 . 1 48 48 GLY HA3 H 1 4.098000 . . . . . . . . 48 G HA . 50253 2 212 . 1 . 1 48 48 GLY C C 13 175.513000 . . . . . . . . 48 G CO . 50253 2 213 . 1 . 1 48 48 GLY CA C 13 45.442000 . . . . . . . . 48 G CA . 50253 2 214 . 1 . 1 48 48 GLY N N 15 105.693000 . . . . . . . . 48 G N . 50253 2 215 . 1 . 1 50 50 THR HA H 1 3.971000 . . . . . . . . 50 T HA . 50253 2 216 . 1 . 1 50 50 THR C C 13 173.155000 . . . . . . . . 50 T CO . 50253 2 217 . 1 . 1 50 50 THR CA C 13 58.221000 . . . . . . . . 50 T CA . 50253 2 218 . 1 . 1 50 50 THR CB C 13 65.095000 . . . . . . . . 50 T CB . 50253 2 219 . 1 . 1 51 51 ARG H H 1 8.582000 . . . . . . . . 51 R HN . 50253 2 220 . 1 . 1 51 51 ARG HA H 1 4.955000 . . . . . . . . 51 R HA . 50253 2 221 . 1 . 1 51 51 ARG C C 13 174.435000 . . . . . . . . 51 R CO . 50253 2 222 . 1 . 1 51 51 ARG CA C 13 55.822000 . . . . . . . . 51 R CA . 50253 2 223 . 1 . 1 51 51 ARG CB C 13 31.443000 . . . . . . . . 51 R CB . 50253 2 224 . 1 . 1 51 51 ARG N N 15 126.937000 . . . . . . . . 51 R N . 50253 2 225 . 1 . 1 52 52 ILE H H 1 9.083000 . . . . . . . . 52 I HN . 50253 2 226 . 1 . 1 52 52 ILE HA H 1 4.458000 . . . . . . . . 52 I HA . 50253 2 227 . 1 . 1 52 52 ILE C C 13 174.946000 . . . . . . . . 52 I CO . 50253 2 228 . 1 . 1 52 52 ILE CA C 13 59.348000 . . . . . . . . 52 I CA . 50253 2 229 . 1 . 1 52 52 ILE CB C 13 38.387000 . . . . . . . . 52 I CB . 50253 2 230 . 1 . 1 52 52 ILE N N 15 127.600000 . . . . . . . . 52 I N . 50253 2 231 . 1 . 1 53 53 ILE H H 1 8.541000 . . . . . . . . 53 I HN . 50253 2 232 . 1 . 1 53 53 ILE HA H 1 4.458000 . . . . . . . . 53 I HA . 50253 2 233 . 1 . 1 53 53 ILE C C 13 175.510000 . . . . . . . . 53 I CO . 50253 2 234 . 1 . 1 53 53 ILE CA C 13 59.812000 . . . . . . . . 53 I CA . 50253 2 235 . 1 . 1 53 53 ILE CB C 13 38.372000 . . . . . . . . 53 I CB . 50253 2 236 . 1 . 1 53 53 ILE N N 15 125.534000 . . . . . . . . 53 I N . 50253 2 237 . 1 . 1 54 54 TYR H H 1 8.246000 . . . . . . . . 54 Y HN . 50253 2 238 . 1 . 1 54 54 TYR HA H 1 4.257000 . . . . . . . . 54 Y HA . 50253 2 239 . 1 . 1 54 54 TYR C C 13 175.179000 . . . . . . . . 54 Y CO . 50253 2 240 . 1 . 1 54 54 TYR CA C 13 57.171000 . . . . . . . . 54 Y CA . 50253 2 241 . 1 . 1 54 54 TYR CB C 13 38.745000 . . . . . . . . 54 Y CB . 50253 2 242 . 1 . 1 54 54 TYR N N 15 125.080000 . . . . . . . . 54 Y N . 50253 2 243 . 1 . 1 58 58 PHE H H 1 7.684000 . . . . . . . . 58 F HN . 50253 2 244 . 1 . 1 58 58 PHE HA H 1 4.625000 . . . . . . . . 58 F HA . 50253 2 245 . 1 . 1 58 58 PHE C C 13 175.415000 . . . . . . . . 58 F CO . 50253 2 246 . 1 . 1 58 58 PHE CA C 13 57.126000 . . . . . . . . 58 F CA . 50253 2 247 . 1 . 1 58 58 PHE CB C 13 39.210000 . . . . . . . . 58 F CB . 50253 2 248 . 1 . 1 58 58 PHE N N 15 117.562000 . . . . . . . . 58 F N . 50253 2 249 . 1 . 1 59 59 LEU H H 1 7.859000 . . . . . . . . 59 L HN . 50253 2 250 . 1 . 1 59 59 LEU HA H 1 4.274000 . . . . . . . . 59 L HA . 50253 2 251 . 1 . 1 59 59 LEU C C 13 177.127000 . . . . . . . . 59 L CO . 50253 2 252 . 1 . 1 59 59 LEU CA C 13 55.703000 . . . . . . . . 59 L CA . 50253 2 253 . 1 . 1 59 59 LEU CB C 13 42.219000 . . . . . . . . 59 L CB . 50253 2 254 . 1 . 1 59 59 LEU N N 15 121.941000 . . . . . . . . 59 L N . 50253 2 255 . 1 . 1 60 60 LEU H H 1 8.044000 . . . . . . . . 60 L HN . 50253 2 256 . 1 . 1 60 60 LEU HA H 1 4.274000 . . . . . . . . 60 L HA . 50253 2 257 . 1 . 1 60 60 LEU CA C 13 55.414000 . . . . . . . . 60 L CA . 50253 2 258 . 1 . 1 60 60 LEU CB C 13 42.297000 . . . . . . . . 60 L CB . 50253 2 259 . 1 . 1 60 60 LEU N N 15 121.785000 . . . . . . . . 60 L N . 50253 2 260 . 1 . 1 61 61 ASP HA H 1 4.380000 . . . . . . . . 61 D HA . 50253 2 261 . 1 . 1 61 61 ASP C C 13 176.093000 . . . . . . . . 61 D CO . 50253 2 262 . 1 . 1 61 61 ASP CA C 13 55.720000 . . . . . . . . 61 D CA . 50253 2 263 . 1 . 1 62 62 ARG H H 1 8.190000 . . . . . . . . 62 R HN . 50253 2 264 . 1 . 1 62 62 ARG HA H 1 4.031000 . . . . . . . . 62 R HA . 50253 2 265 . 1 . 1 62 62 ARG CA C 13 62.658000 . . . . . . . . 62 R CA . 50253 2 266 . 1 . 1 62 62 ARG CB C 13 32.770000 . . . . . . . . 62 R CB . 50253 2 267 . 1 . 1 62 62 ARG N N 15 121.383000 . . . . . . . . 62 R N . 50253 2 268 . 1 . 1 63 63 ARG HA H 1 4.274000 . . . . . . . . 63 R HA . 50253 2 269 . 1 . 1 63 63 ARG C C 13 176.039000 . . . . . . . . 63 R CO . 50253 2 270 . 1 . 1 63 63 ARG CA C 13 56.223000 . . . . . . . . 63 R CA . 50253 2 271 . 1 . 1 63 63 ARG CB C 13 30.763000 . . . . . . . . 63 R CB . 50253 2 272 . 1 . 1 64 64 ASN H H 1 8.524000 . . . . . . . . 64 N HN . 50253 2 273 . 1 . 1 64 64 ASN HA H 1 4.685000 . . . . . . . . 64 N HA . 50253 2 274 . 1 . 1 64 64 ASN CA C 13 53.146000 . . . . . . . . 64 N CA . 50253 2 275 . 1 . 1 64 64 ASN CB C 13 38.794000 . . . . . . . . 64 N CB . 50253 2 276 . 1 . 1 64 64 ASN N N 15 119.616000 . . . . . . . . 64 N N . 50253 2 277 . 1 . 1 65 65 SER HA H 1 4.866000 . . . . . . . . 65 S HA . 50253 2 278 . 1 . 1 65 65 SER CA C 13 55.264000 . . . . . . . . 65 S CA . 50253 2 279 . 1 . 1 65 65 SER CB C 13 65.945000 . . . . . . . . 65 S CB . 50253 2 280 . 1 . 1 66 66 PRO HA H 1 4.334000 . . . . . . . . 66 P HA . 50253 2 281 . 1 . 1 66 66 PRO CA C 13 63.655000 . . . . . . . . 66 P CA . 50253 2 282 . 1 . 1 66 66 PRO CB C 13 32.181000 . . . . . . . . 66 P CB . 50253 2 283 . 1 . 1 67 67 MET H H 1 8.448000 . . . . . . . . 67 M HN . 50253 2 284 . 1 . 1 67 67 MET HA H 1 4.382000 . . . . . . . . 67 M HA . 50253 2 285 . 1 . 1 67 67 MET CA C 13 55.516000 . . . . . . . . 67 M CA . 50253 2 286 . 1 . 1 67 67 MET CB C 13 32.704000 . . . . . . . . 67 M CB . 50253 2 287 . 1 . 1 67 67 MET N N 15 120.251000 . . . . . . . . 67 M N . 50253 2 288 . 1 . 1 73 73 CYS HA H 1 4.400000 . . . . . . . . 73 C HA . 50253 2 289 . 1 . 1 73 73 CYS C C 13 174.215000 . . . . . . . . 73 C CO . 50253 2 290 . 1 . 1 73 73 CYS CA C 13 58.234000 . . . . . . . . 73 C CA . 50253 2 291 . 1 . 1 73 73 CYS CB C 13 28.045000 . . . . . . . . 73 C CB . 50253 2 292 . 1 . 1 74 74 HIS H H 1 8.581000 . . . . . . . . 74 H HN . 50253 2 293 . 1 . 1 74 74 HIS HA H 1 4.726000 . . . . . . . . 74 H HA . 50253 2 294 . 1 . 1 74 74 HIS CA C 13 54.838000 . . . . . . . . 74 H CA . 50253 2 295 . 1 . 1 74 74 HIS CB C 13 28.989000 . . . . . . . . 74 H CB . 50253 2 296 . 1 . 1 74 74 HIS N N 15 121.058000 . . . . . . . . 74 H N . 50253 2 297 . 1 . 1 79 79 PRO HA H 1 4.348000 . . . . . . . . 79 P HA . 50253 2 298 . 1 . 1 79 79 PRO CA C 13 63.440000 . . . . . . . . 79 P CA . 50253 2 299 . 1 . 1 79 79 PRO CB C 13 32.190000 . . . . . . . . 79 P CB . 50253 2 300 . 1 . 1 80 80 GLY H H 1 8.483000 . . . . . . . . 80 G HN . 50253 2 301 . 1 . 1 80 80 GLY HA2 H 1 3.998000 . . . . . . . . 80 G HA . 50253 2 302 . 1 . 1 80 80 GLY HA3 H 1 3.998000 . . . . . . . . 80 G HA . 50253 2 303 . 1 . 1 80 80 GLY CA C 13 45.208000 . . . . . . . . 80 G CA . 50253 2 304 . 1 . 1 80 80 GLY N N 15 109.783000 . . . . . . . . 80 G N . 50253 2 305 . 1 . 1 81 81 VAL H H 1 7.978000 . . . . . . . . 81 V HN . 50253 2 306 . 1 . 1 81 81 VAL HA H 1 4.182000 . . . . . . . . 81 V HA . 50253 2 307 . 1 . 1 81 81 VAL CA C 13 65.355000 . . . . . . . . 81 V CA . 50253 2 308 . 1 . 1 81 81 VAL CB C 13 33.084000 . . . . . . . . 81 V CB . 50253 2 309 . 1 . 1 81 81 VAL N N 15 119.730000 . . . . . . . . 81 V N . 50253 2 310 . 1 . 1 82 82 THR HA H 1 4.348000 . . . . . . . . 82 T HA . 50253 2 311 . 1 . 1 82 82 THR C C 13 174.069000 . . . . . . . . 82 T CO . 50253 2 312 . 1 . 1 82 82 THR CA C 13 61.861000 . . . . . . . . 82 T CA . 50253 2 313 . 1 . 1 82 82 THR CB C 13 69.903000 . . . . . . . . 82 T CB . 50253 2 314 . 1 . 1 83 83 SER HA H 1 4.889000 . . . . . . . . 83 S HA . 50253 2 315 . 1 . 1 83 83 SER CA C 13 54.998000 . . . . . . . . 83 S CA . 50253 2 316 . 1 . 1 83 83 SER CB C 13 66.045000 . . . . . . . . 83 S CB . 50253 2 317 . 1 . 1 84 84 PRO HA H 1 4.354000 . . . . . . . . 84 P HA . 50253 2 318 . 1 . 1 84 84 PRO CA C 13 64.372000 . . . . . . . . 84 P CA . 50253 2 319 . 1 . 1 84 84 PRO CB C 13 32.051000 . . . . . . . . 84 P CB . 50253 2 320 . 1 . 1 85 85 GLY H H 1 8.413000 . . . . . . . . 85 G HN . 50253 2 321 . 1 . 1 85 85 GLY HA2 H 1 3.937000 . . . . . . . . 85 G HA . 50253 2 322 . 1 . 1 85 85 GLY HA3 H 1 3.937000 . . . . . . . . 85 G HA . 50253 2 323 . 1 . 1 85 85 GLY C C 13 174.759000 . . . . . . . . 85 G CO . 50253 2 324 . 1 . 1 85 85 GLY CA C 13 45.683000 . . . . . . . . 85 G CA . 50253 2 325 . 1 . 1 85 85 GLY N N 15 107.790000 . . . . . . . . 85 G N . 50253 2 326 . 1 . 1 86 86 THR H H 1 7.854000 . . . . . . . . 86 T HN . 50253 2 327 . 1 . 1 86 86 THR HA H 1 4.209000 . . . . . . . . 86 T HA . 50253 2 328 . 1 . 1 86 86 THR C C 13 174.624000 . . . . . . . . 86 T CO . 50253 2 329 . 1 . 1 86 86 THR CA C 13 62.800000 . . . . . . . . 86 T CA . 50253 2 330 . 1 . 1 86 86 THR CB C 13 69.721000 . . . . . . . . 86 T CB . 50253 2 331 . 1 . 1 86 86 THR N N 15 114.765000 . . . . . . . . 86 T N . 50253 2 332 . 1 . 1 87 87 LEU H H 1 8.138000 . . . . . . . . 87 L HN . 50253 2 333 . 1 . 1 87 87 LEU HA H 1 4.274000 . . . . . . . . 87 L HA . 50253 2 334 . 1 . 1 87 87 LEU C C 13 177.646000 . . . . . . . . 87 L CO . 50253 2 335 . 1 . 1 87 87 LEU CA C 13 55.703000 . . . . . . . . 87 L CA . 50253 2 336 . 1 . 1 87 87 LEU CB C 13 42.243000 . . . . . . . . 87 L CB . 50253 2 337 . 1 . 1 87 87 LEU N N 15 124.315000 . . . . . . . . 87 L N . 50253 2 338 . 1 . 1 88 88 ILE H H 1 8.053000 . . . . . . . . 88 I HN . 50253 2 339 . 1 . 1 88 88 ILE HA H 1 4.054000 . . . . . . . . 88 I HA . 50253 2 340 . 1 . 1 88 88 ILE C C 13 176.697000 . . . . . . . . 88 I CO . 50253 2 341 . 1 . 1 88 88 ILE CA C 13 61.598000 . . . . . . . . 88 I CA . 50253 2 342 . 1 . 1 88 88 ILE CB C 13 38.331000 . . . . . . . . 88 I CB . 50253 2 343 . 1 . 1 88 88 ILE N N 15 121.567000 . . . . . . . . 88 I N . 50253 2 344 . 1 . 1 89 89 GLU H H 1 8.293000 . . . . . . . . 89 E HN . 50253 2 345 . 1 . 1 89 89 GLU HA H 1 4.304000 . . . . . . . . 89 E HA . 50253 2 346 . 1 . 1 89 89 GLU C C 13 176.131000 . . . . . . . . 89 E CO . 50253 2 347 . 1 . 1 89 89 GLU CA C 13 56.172000 . . . . . . . . 89 E CA . 50253 2 348 . 1 . 1 89 89 GLU CB C 13 28.605000 . . . . . . . . 89 E CB . 50253 2 349 . 1 . 1 89 89 GLU N N 15 123.592000 . . . . . . . . 89 E N . 50253 2 350 . 1 . 1 90 90 ASP H H 1 8.465000 . . . . . . . . 90 D HN . 50253 2 351 . 1 . 1 90 90 ASP HA H 1 4.668000 . . . . . . . . 90 D HA . 50253 2 352 . 1 . 1 90 90 ASP C C 13 175.431000 . . . . . . . . 90 D CO . 50253 2 353 . 1 . 1 90 90 ASP CA C 13 53.365000 . . . . . . . . 90 D CA . 50253 2 354 . 1 . 1 90 90 ASP CB C 13 38.239000 . . . . . . . . 90 D CB . 50253 2 355 . 1 . 1 90 90 ASP N N 15 119.890000 . . . . . . . . 90 D N . 50253 2 356 . 1 . 1 91 91 SER H H 1 8.178000 . . . . . . . . 91 S HN . 50253 2 357 . 1 . 1 91 91 SER HA H 1 4.377000 . . . . . . . . 91 S HA . 50253 2 358 . 1 . 1 91 91 SER C C 13 174.581000 . . . . . . . . 91 S CO . 50253 2 359 . 1 . 1 91 91 SER CA C 13 58.849000 . . . . . . . . 91 S CA . 50253 2 360 . 1 . 1 91 91 SER CB C 13 63.663000 . . . . . . . . 91 S CB . 50253 2 361 . 1 . 1 91 91 SER N N 15 116.084000 . . . . . . . . 91 S N . 50253 2 362 . 1 . 1 92 92 LYS H H 1 8.197000 . . . . . . . . 92 K HN . 50253 2 363 . 1 . 1 92 92 LYS HA H 1 4.296000 . . . . . . . . 92 K HA . 50253 2 364 . 1 . 1 92 92 LYS C C 13 176.614000 . . . . . . . . 92 K CO . 50253 2 365 . 1 . 1 92 92 LYS CA C 13 56.631000 . . . . . . . . 92 K CA . 50253 2 366 . 1 . 1 92 92 LYS CB C 13 32.826000 . . . . . . . . 92 K CB . 50253 2 367 . 1 . 1 92 92 LYS N N 15 122.708000 . . . . . . . . 92 K N . 50253 2 368 . 1 . 1 93 93 VAL H H 1 7.958000 . . . . . . . . 93 V HN . 50253 2 369 . 1 . 1 93 93 VAL HA H 1 4.031000 . . . . . . . . 93 V HA . 50253 2 370 . 1 . 1 93 93 VAL C C 13 176.138000 . . . . . . . . 93 V CO . 50253 2 371 . 1 . 1 93 93 VAL CA C 13 62.655000 . . . . . . . . 93 V CA . 50253 2 372 . 1 . 1 93 93 VAL CB C 13 32.632000 . . . . . . . . 93 V CB . 50253 2 373 . 1 . 1 93 93 VAL N N 15 120.376000 . . . . . . . . 93 V N . 50253 2 374 . 1 . 1 94 94 GLU H H 1 8.334000 . . . . . . . . 94 E HN . 50253 2 375 . 1 . 1 94 94 GLU HA H 1 4.382000 . . . . . . . . 94 E HA . 50253 2 376 . 1 . 1 94 94 GLU CA C 13 55.788000 . . . . . . . . 94 E CA . 50253 2 377 . 1 . 1 94 94 GLU CB C 13 28.887000 . . . . . . . . 94 E CB . 50253 2 378 . 1 . 1 94 94 GLU N N 15 124.131000 . . . . . . . . 94 E N . 50253 2 379 . 1 . 1 95 95 VAL HA H 1 4.029000 . . . . . . . . 95 V HA . 50253 2 380 . 1 . 1 95 95 VAL C C 13 175.901000 . . . . . . . . 95 V CO . 50253 2 381 . 1 . 1 95 95 VAL CA C 13 62.510000 . . . . . . . . 95 V CA . 50253 2 382 . 1 . 1 95 95 VAL CB C 13 32.714000 . . . . . . . . 95 V CB . 50253 2 383 . 1 . 1 96 96 ASN H H 1 8.451000 . . . . . . . . 96 N HN . 50253 2 384 . 1 . 1 96 96 ASN HA H 1 4.382000 . . . . . . . . 96 N HA . 50253 2 385 . 1 . 1 96 96 ASN CA C 13 53.348000 . . . . . . . . 96 N CA . 50253 2 386 . 1 . 1 96 96 ASN CB C 13 38.877000 . . . . . . . . 96 N CB . 50253 2 387 . 1 . 1 96 96 ASN N N 15 121.679000 . . . . . . . . 96 N N . 50253 2 388 . 1 . 1 97 97 ASN HA H 1 4.658000 . . . . . . . . 97 N HA . 50253 2 389 . 1 . 1 97 97 ASN CA C 13 53.556000 . . . . . . . . 97 N CA . 50253 2 390 . 1 . 1 97 97 ASN CB C 13 38.685000 . . . . . . . . 97 N CB . 50253 2 391 . 1 . 1 98 98 LEU H H 1 8.208000 . . . . . . . . 98 L HN . 50253 2 392 . 1 . 1 98 98 LEU HA H 1 4.225000 . . . . . . . . 98 L HA . 50253 2 393 . 1 . 1 98 98 LEU C C 13 177.456000 . . . . . . . . 98 L CO . 50253 2 394 . 1 . 1 98 98 LEU CA C 13 55.822000 . . . . . . . . 98 L CA . 50253 2 395 . 1 . 1 98 98 LEU CB C 13 41.977000 . . . . . . . . 98 L CB . 50253 2 396 . 1 . 1 98 98 LEU N N 15 121.950000 . . . . . . . . 98 L N . 50253 2 397 . 1 . 1 99 99 ASN H H 1 8.306000 . . . . . . . . 99 N HN . 50253 2 398 . 1 . 1 99 99 ASN HA H 1 4.604000 . . . . . . . . 99 N HA . 50253 2 399 . 1 . 1 99 99 ASN CA C 13 53.395000 . . . . . . . . 99 N CA . 50253 2 400 . 1 . 1 99 99 ASN CB C 13 38.604000 . . . . . . . . 99 N CB . 50253 2 401 . 1 . 1 99 99 ASN N N 15 118.030000 . . . . . . . . 99 N N . 50253 2 402 . 1 . 1 100 100 ASN H H 1 8.193000 . . . . . . . . 100 N HN . 50253 2 403 . 1 . 1 100 100 ASN HA H 1 4.645000 . . . . . . . . 100 N HA . 50253 2 404 . 1 . 1 100 100 ASN CA C 13 53.513000 . . . . . . . . 100 N CA . 50253 2 405 . 1 . 1 100 100 ASN CB C 13 38.629000 . . . . . . . . 100 N CB . 50253 2 406 . 1 . 1 100 100 ASN N N 15 118.474000 . . . . . . . . 100 N N . 50253 2 407 . 1 . 1 101 101 LEU H H 1 8.104000 . . . . . . . . 101 L HN . 50253 2 408 . 1 . 1 101 101 LEU HA H 1 4.728000 . . . . . . . . 101 L HA . 50253 2 409 . 1 . 1 101 101 LEU C C 13 177.456000 . . . . . . . . 101 L CO . 50253 2 410 . 1 . 1 101 101 LEU CA C 13 54.795000 . . . . . . . . 101 L CA . 50253 2 411 . 1 . 1 101 101 LEU N N 15 121.718000 . . . . . . . . 101 L N . 50253 2 412 . 1 . 1 105 105 ASP H H 1 8.376000 . . . . . . . . 105 D HN . 50253 2 413 . 1 . 1 105 105 ASP HA H 1 4.560000 . . . . . . . . 105 D HA . 50253 2 414 . 1 . 1 105 105 ASP CA C 13 53.260000 . . . . . . . . 105 D CA . 50253 2 415 . 1 . 1 105 105 ASP CB C 13 41.602000 . . . . . . . . 105 D CB . 50253 2 416 . 1 . 1 105 105 ASP N N 15 125.329000 . . . . . . . . 105 D N . 50253 2 417 . 1 . 1 106 106 ARG HA H 1 4.248000 . . . . . . . . 106 R HA . 50253 2 418 . 1 . 1 106 106 ARG C C 13 176.234000 . . . . . . . . 106 R CO . 50253 2 419 . 1 . 1 106 106 ARG CA C 13 56.220000 . . . . . . . . 106 R CA . 50253 2 420 . 1 . 1 106 106 ARG CB C 13 30.648000 . . . . . . . . 106 R CB . 50253 2 421 . 1 . 1 107 107 LYS H H 1 8.285000 . . . . . . . . 107 K HN . 50253 2 422 . 1 . 1 107 107 LYS HA H 1 4.206000 . . . . . . . . 107 K HA . 50253 2 423 . 1 . 1 107 107 LYS C C 13 176.374000 . . . . . . . . 107 K CO . 50253 2 424 . 1 . 1 107 107 LYS CA C 13 56.426000 . . . . . . . . 107 K CA . 50253 2 425 . 1 . 1 107 107 LYS CB C 13 32.949000 . . . . . . . . 107 K CB . 50253 2 426 . 1 . 1 107 107 LYS N N 15 121.915000 . . . . . . . . 107 K N . 50253 2 427 . 1 . 1 108 108 HIS H H 1 8.447000 . . . . . . . . 108 H HN . 50253 2 428 . 1 . 1 108 108 HIS HA H 1 4.644000 . . . . . . . . 108 H HA . 50253 2 429 . 1 . 1 108 108 HIS C C 13 173.793000 . . . . . . . . 108 H CO . 50253 2 430 . 1 . 1 108 108 HIS CA C 13 55.028000 . . . . . . . . 108 H CA . 50253 2 431 . 1 . 1 108 108 HIS CB C 13 29.136000 . . . . . . . . 108 H CB . 50253 2 432 . 1 . 1 108 108 HIS N N 15 119.336000 . . . . . . . . 108 H N . 50253 2 433 . 1 . 1 109 109 ALA H H 1 8.374000 . . . . . . . . 109 A HN . 50253 2 434 . 1 . 1 109 109 ALA HA H 1 4.328000 . . . . . . . . 109 A HA . 50253 2 435 . 1 . 1 109 109 ALA C C 13 177.510000 . . . . . . . . 109 A CO . 50253 2 436 . 1 . 1 109 109 ALA CA C 13 52.321000 . . . . . . . . 109 A CA . 50253 2 437 . 1 . 1 109 109 ALA CB C 13 19.431000 . . . . . . . . 109 A CB . 50253 2 438 . 1 . 1 109 109 ALA N N 15 125.976000 . . . . . . . . 109 A N . 50253 2 439 . 1 . 1 110 110 VAL H H 1 8.236000 . . . . . . . . 110 V HN . 50253 2 440 . 1 . 1 110 110 VAL HA H 1 4.075000 . . . . . . . . 110 V HA . 50253 2 441 . 1 . 1 110 110 VAL C C 13 176.712000 . . . . . . . . 110 V CO . 50253 2 442 . 1 . 1 110 110 VAL CA C 13 62.540000 . . . . . . . . 110 V CA . 50253 2 443 . 1 . 1 110 110 VAL CB C 13 32.841000 . . . . . . . . 110 V CB . 50253 2 444 . 1 . 1 110 110 VAL N N 15 119.800000 . . . . . . . . 110 V N . 50253 2 445 . 1 . 1 111 111 GLY H H 1 8.476000 . . . . . . . . 111 G HN . 50253 2 446 . 1 . 1 111 111 GLY HA2 H 1 3.928000 . . . . . . . . 111 G HA . 50253 2 447 . 1 . 1 111 111 GLY HA3 H 1 3.928000 . . . . . . . . 111 G HA . 50253 2 448 . 1 . 1 111 111 GLY C C 13 174.012000 . . . . . . . . 111 G CO . 50253 2 449 . 1 . 1 111 111 GLY CA C 13 45.247000 . . . . . . . . 111 G CA . 50253 2 450 . 1 . 1 111 111 GLY N N 15 112.261000 . . . . . . . . 111 G N . 50253 2 451 . 1 . 1 112 112 ASP H H 1 8.316000 . . . . . . . . 112 D HN . 50253 2 452 . 1 . 1 112 112 ASP HA H 1 4.676000 . . . . . . . . 112 D HA . 50253 2 453 . 1 . 1 112 112 ASP CA C 13 53.115000 . . . . . . . . 112 D CA . 50253 2 454 . 1 . 1 112 112 ASP CB C 13 38.554000 . . . . . . . . 112 D CB . 50253 2 455 . 1 . 1 112 112 ASP N N 15 119.069000 . . . . . . . . 112 D N . 50253 2 456 . 1 . 1 113 113 ASP HA H 1 4.637000 . . . . . . . . 113 D HA . 50253 2 457 . 1 . 1 113 113 ASP C C 13 175.254000 . . . . . . . . 113 D CO . 50253 2 458 . 1 . 1 113 113 ASP CA C 13 53.346000 . . . . . . . . 113 D CA . 50253 2 459 . 1 . 1 113 113 ASP CB C 13 38.363000 . . . . . . . . 113 D CB . 50253 2 460 . 1 . 1 114 114 ALA H H 1 8.162000 . . . . . . . . 114 A HN . 50253 2 461 . 1 . 1 114 114 ALA HA H 1 4.176000 . . . . . . . . 114 A HA . 50253 2 462 . 1 . 1 114 114 ALA C C 13 177.863000 . . . . . . . . 114 A CO . 50253 2 463 . 1 . 1 114 114 ALA CA C 13 53.245000 . . . . . . . . 114 A CA . 50253 2 464 . 1 . 1 114 114 ALA CB C 13 18.945000 . . . . . . . . 114 A CB . 50253 2 465 . 1 . 1 114 114 ALA N N 15 123.870000 . . . . . . . . 114 A N . 50253 2 466 . 1 . 1 115 115 GLN H H 1 8.156000 . . . . . . . . 115 Q HN . 50253 2 467 . 1 . 1 115 115 GLN HA H 1 4.154000 . . . . . . . . 115 Q HA . 50253 2 468 . 1 . 1 115 115 GLN C C 13 175.881000 . . . . . . . . 115 Q CO . 50253 2 469 . 1 . 1 115 115 GLN CA C 13 56.316000 . . . . . . . . 115 Q CA . 50253 2 470 . 1 . 1 115 115 GLN CB C 13 29.096000 . . . . . . . . 115 Q CB . 50253 2 471 . 1 . 1 115 115 GLN N N 15 118.189000 . . . . . . . . 115 Q N . 50253 2 472 . 1 . 1 116 116 PHE H H 1 8.015000 . . . . . . . . 116 F HN . 50253 2 473 . 1 . 1 116 116 PHE HA H 1 4.578000 . . . . . . . . 116 F HA . 50253 2 474 . 1 . 1 116 116 PHE C C 13 175.683000 . . . . . . . . 116 F CO . 50253 2 475 . 1 . 1 116 116 PHE CA C 13 57.851000 . . . . . . . . 116 F CA . 50253 2 476 . 1 . 1 116 116 PHE CB C 13 39.445000 . . . . . . . . 116 F CB . 50253 2 477 . 1 . 1 116 116 PHE N N 15 119.986000 . . . . . . . . 116 F N . 50253 2 478 . 1 . 1 117 117 GLU H H 1 8.072000 . . . . . . . . 117 E HN . 50253 2 479 . 1 . 1 117 117 GLU HA H 1 4.267000 . . . . . . . . 117 E HA . 50253 2 480 . 1 . 1 117 117 GLU CA C 13 55.692000 . . . . . . . . 117 E CA . 50253 2 481 . 1 . 1 117 117 GLU CB C 13 28.886000 . . . . . . . . 117 E CB . 50253 2 482 . 1 . 1 117 117 GLU N N 15 121.006000 . . . . . . . . 117 E N . 50253 2 483 . 1 . 1 119 119 ASP HA H 1 4.719000 . . . . . . . . 119 D HA . 50253 2 484 . 1 . 1 119 119 ASP C C 13 174.570000 . . . . . . . . 119 D CO . 50253 2 485 . 1 . 1 119 119 ASP CA C 13 53.026000 . . . . . . . . 119 D CA . 50253 2 486 . 1 . 1 119 119 ASP CB C 13 38.232000 . . . . . . . . 119 D CB . 50253 2 487 . 1 . 1 120 120 ILE H H 1 7.909000 . . . . . . . . 120 I HN . 50253 2 488 . 1 . 1 120 120 ILE HA H 1 4.210000 . . . . . . . . 120 I HA . 50253 2 489 . 1 . 1 120 120 ILE CA C 13 60.878000 . . . . . . . . 120 I CA . 50253 2 490 . 1 . 1 120 120 ILE CB C 13 39.741000 . . . . . . . . 120 I CB . 50253 2 491 . 1 . 1 120 120 ILE N N 15 121.247000 . . . . . . . . 120 I N . 50253 2 stop_ save_ save_assigned_chemical_shifts_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3 _Assigned_chem_shift_list.Entry_ID 50253 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Name 5phos_pH7.4 _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' . . . 50253 3 2 '3D HNCO' . . . 50253 3 3 '3D CBCA(CO)NH' . . . 50253 3 4 '3D HNCACB' . . . 50253 3 5 '3D HBHA(CO)NH' . . . 50253 3 6 '3D 1H-15N NOESY' . . . 50253 3 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 . . 50253 3 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 6 6 GLY HA2 H 1 3.960000 . . . . . . . . 6 G HA . 50253 3 2 . 1 . 1 6 6 GLY HA3 H 1 3.960000 . . . . . . . . 6 G HA . 50253 3 3 . 1 . 1 7 7 SER HA H 1 4.430000 . . . . . . . . 7 S HA . 50253 3 4 . 1 . 1 8 8 GLY HA2 H 1 3.901000 . . . . . . . . 8 G HA . 50253 3 5 . 1 . 1 8 8 GLY HA3 H 1 3.901000 . . . . . . . . 8 G HA . 50253 3 6 . 1 . 1 8 8 GLY CA C 13 45.473000 . . . . . . . . 8 G CA . 50253 3 7 . 1 . 1 12 12 SER HA H 1 4.358000 . . . . . . . . 12 S HA . 50253 3 8 . 1 . 1 18 18 PRO CA C 13 63.675000 . . . . . . . . 18 P CA . 50253 3 9 . 1 . 1 19 19 THR H H 1 8.144000 . . . . . . . . 19 T HN . 50253 3 10 . 1 . 1 19 19 THR HA H 1 5.383000 . . . . . . . . 19 T HA . 50253 3 11 . 1 . 1 19 19 THR C C 13 174.106000 . . . . . . . . 19 T CO . 50253 3 12 . 1 . 1 19 19 THR CA C 13 60.560000 . . . . . . . . 19 T CA . 50253 3 13 . 1 . 1 19 19 THR CB C 13 72.324000 . . . . . . . . 19 T CB . 50253 3 14 . 1 . 1 19 19 THR N N 15 115.209000 . . . . . . . . 19 T N . 50253 3 15 . 1 . 1 20 20 ARG H H 1 8.795000 . . . . . . . . 20 R HN . 50253 3 16 . 1 . 1 20 20 ARG HA H 1 4.572000 . . . . . . . . 20 R HA . 50253 3 17 . 1 . 1 20 20 ARG C C 13 174.226000 . . . . . . . . 20 R CO . 50253 3 18 . 1 . 1 20 20 ARG CA C 13 55.332000 . . . . . . . . 20 R CA . 50253 3 19 . 1 . 1 20 20 ARG CB C 13 33.493000 . . . . . . . . 20 R CB . 50253 3 20 . 1 . 1 20 20 ARG N N 15 123.561000 . . . . . . . . 20 R N . 50253 3 21 . 1 . 1 21 21 THR H H 1 8.530000 . . . . . . . . 21 T HN . 50253 3 22 . 1 . 1 21 21 THR HA H 1 5.068000 . . . . . . . . 21 T HA . 50253 3 23 . 1 . 1 21 21 THR C C 13 174.516000 . . . . . . . . 21 T CO . 50253 3 24 . 1 . 1 21 21 THR CA C 13 61.646000 . . . . . . . . 21 T CA . 50253 3 25 . 1 . 1 21 21 THR CB C 13 70.363000 . . . . . . . . 21 T CB . 50253 3 26 . 1 . 1 21 21 THR N N 15 118.152000 . . . . . . . . 21 T N . 50253 3 27 . 1 . 1 22 22 VAL H H 1 8.923000 . . . . . . . . 22 V HN . 50253 3 28 . 1 . 1 22 22 VAL HA H 1 4.220000 . . . . . . . . 22 V HA . 50253 3 29 . 1 . 1 22 22 VAL C C 13 174.227000 . . . . . . . . 22 V CO . 50253 3 30 . 1 . 1 22 22 VAL CA C 13 61.131000 . . . . . . . . 22 V CA . 50253 3 31 . 1 . 1 22 22 VAL CB C 13 34.658000 . . . . . . . . 22 V CB . 50253 3 32 . 1 . 1 22 22 VAL N N 15 127.548000 . . . . . . . . 22 V N . 50253 3 33 . 1 . 1 23 23 ALA H H 1 8.673000 . . . . . . . . 23 A HN . 50253 3 34 . 1 . 1 23 23 ALA HA H 1 4.907000 . . . . . . . . 23 A HA . 50253 3 35 . 1 . 1 23 23 ALA C C 13 177.349000 . . . . . . . . 23 A CO . 50253 3 36 . 1 . 1 23 23 ALA CA C 13 51.669000 . . . . . . . . 23 A CA . 50253 3 37 . 1 . 1 23 23 ALA CB C 13 19.417000 . . . . . . . . 23 A CB . 50253 3 38 . 1 . 1 23 23 ALA N N 15 129.885000 . . . . . . . . 23 A N . 50253 3 39 . 1 . 1 24 24 ILE H H 1 8.425000 . . . . . . . . 24 I HN . 50253 3 40 . 1 . 1 24 24 ILE C C 13 175.304000 . . . . . . . . 24 I CO . 50253 3 41 . 1 . 1 24 24 ILE CA C 13 59.535000 . . . . . . . . 24 I CA . 50253 3 42 . 1 . 1 24 24 ILE CB C 13 39.928000 . . . . . . . . 24 I CB . 50253 3 43 . 1 . 1 24 24 ILE N N 15 119.782000 . . . . . . . . 24 I N . 50253 3 44 . 1 . 1 25 25 SER H H 1 8.934000 . . . . . . . . 25 S HN . 50253 3 45 . 1 . 1 25 25 SER HA H 1 4.555000 . . . . . . . . 25 S HA . 50253 3 46 . 1 . 1 25 25 SER C C 13 173.618000 . . . . . . . . 25 S CO . 50253 3 47 . 1 . 1 25 25 SER CA C 13 58.606000 . . . . . . . . 25 S CA . 50253 3 48 . 1 . 1 25 25 SER N N 15 118.229000 . . . . . . . . 25 S N . 50253 3 49 . 1 . 1 26 26 ASP H H 1 7.643000 . . . . . . . . 26 D HN . 50253 3 50 . 1 . 1 26 26 ASP HA H 1 4.396000 . . . . . . . . 26 D HA . 50253 3 51 . 1 . 1 26 26 ASP C C 13 175.388000 . . . . . . . . 26 D CO . 50253 3 52 . 1 . 1 26 26 ASP CA C 13 53.765000 . . . . . . . . 26 D CA . 50253 3 53 . 1 . 1 26 26 ASP CB C 13 44.190000 . . . . . . . . 26 D CB . 50253 3 54 . 1 . 1 26 26 ASP N N 15 121.198000 . . . . . . . . 26 D N . 50253 3 55 . 1 . 1 27 27 ALA H H 1 8.596000 . . . . . . . . 27 A HN . 50253 3 56 . 1 . 1 27 27 ALA HA H 1 3.645000 . . . . . . . . 27 A HA . 50253 3 57 . 1 . 1 27 27 ALA C C 13 178.619000 . . . . . . . . 27 A CO . 50253 3 58 . 1 . 1 27 27 ALA CA C 13 54.571000 . . . . . . . . 27 A CA . 50253 3 59 . 1 . 1 27 27 ALA CB C 13 18.161000 . . . . . . . . 27 A CB . 50253 3 60 . 1 . 1 27 27 ALA N N 15 127.157000 . . . . . . . . 27 A N . 50253 3 61 . 1 . 1 28 28 ALA H H 1 8.719000 . . . . . . . . 28 A HN . 50253 3 62 . 1 . 1 28 28 ALA HA H 1 4.147000 . . . . . . . . 28 A HA . 50253 3 63 . 1 . 1 28 28 ALA C C 13 178.311000 . . . . . . . . 28 A CO . 50253 3 64 . 1 . 1 28 28 ALA CA C 13 53.675000 . . . . . . . . 28 A CA . 50253 3 65 . 1 . 1 28 28 ALA CB C 13 18.632000 . . . . . . . . 28 A CB . 50253 3 66 . 1 . 1 28 28 ALA N N 15 120.767000 . . . . . . . . 28 A N . 50253 3 67 . 1 . 1 29 29 GLN H H 1 7.793000 . . . . . . . . 29 Q HN . 50253 3 68 . 1 . 1 29 29 GLN HA H 1 4.147000 . . . . . . . . 29 Q HA . 50253 3 69 . 1 . 1 29 29 GLN C C 13 176.357000 . . . . . . . . 29 Q CO . 50253 3 70 . 1 . 1 29 29 GLN CA C 13 55.694000 . . . . . . . . 29 Q CA . 50253 3 71 . 1 . 1 29 29 GLN CB C 13 29.589000 . . . . . . . . 29 Q CB . 50253 3 72 . 1 . 1 29 29 GLN N N 15 114.716000 . . . . . . . . 29 Q N . 50253 3 73 . 1 . 1 30 30 LEU H H 1 7.390000 . . . . . . . . 30 L HN . 50253 3 74 . 1 . 1 30 30 LEU CA C 13 52.980000 . . . . . . . . 30 L CA . 50253 3 75 . 1 . 1 30 30 LEU CB C 13 41.268000 . . . . . . . . 30 L CB . 50253 3 76 . 1 . 1 30 30 LEU N N 15 121.591000 . . . . . . . . 30 L N . 50253 3 77 . 1 . 1 31 31 PRO CA C 13 62.250000 . . . . . . . . 31 P CA . 50253 3 78 . 1 . 1 32 32 HIS H H 1 8.485000 . . . . . . . . 32 H HN . 50253 3 79 . 1 . 1 32 32 HIS HA H 1 4.358000 . . . . . . . . 32 H HA . 50253 3 80 . 1 . 1 32 32 HIS C C 13 175.532000 . . . . . . . . 32 H CO . 50253 3 81 . 1 . 1 32 32 HIS CA C 13 58.277000 . . . . . . . . 32 H CA . 50253 3 82 . 1 . 1 32 32 HIS CB C 13 30.105000 . . . . . . . . 32 H CB . 50253 3 83 . 1 . 1 32 32 HIS N N 15 117.597000 . . . . . . . . 32 H N . 50253 3 84 . 1 . 1 33 33 ASP H H 1 8.048000 . . . . . . . . 33 D HN . 50253 3 85 . 1 . 1 33 33 ASP HA H 1 4.492000 . . . . . . . . 33 D HA . 50253 3 86 . 1 . 1 33 33 ASP C C 13 175.267000 . . . . . . . . 33 D CO . 50253 3 87 . 1 . 1 33 33 ASP CA C 13 52.665000 . . . . . . . . 33 D CA . 50253 3 88 . 1 . 1 33 33 ASP CB C 13 39.977000 . . . . . . . . 33 D CB . 50253 3 89 . 1 . 1 33 33 ASP N N 15 116.884000 . . . . . . . . 33 D N . 50253 3 90 . 1 . 1 34 34 TYR H H 1 7.196000 . . . . . . . . 34 Y HN . 50253 3 91 . 1 . 1 34 34 TYR C C 13 173.822000 . . . . . . . . 34 Y CO . 50253 3 92 . 1 . 1 34 34 TYR CA C 13 57.584000 . . . . . . . . 34 Y CA . 50253 3 93 . 1 . 1 34 34 TYR CB C 13 38.090000 . . . . . . . . 34 Y CB . 50253 3 94 . 1 . 1 34 34 TYR N N 15 117.038000 . . . . . . . . 34 Y N . 50253 3 95 . 1 . 1 35 35 CYS H H 1 9.110000 . . . . . . . . 35 C HN . 50253 3 96 . 1 . 1 35 35 CYS HA H 1 4.466000 . . . . . . . . 35 C HA . 50253 3 97 . 1 . 1 35 35 CYS C C 13 172.558000 . . . . . . . . 35 C CO . 50253 3 98 . 1 . 1 35 35 CYS CA C 13 57.259000 . . . . . . . . 35 C CA . 50253 3 99 . 1 . 1 35 35 CYS CB C 13 30.586000 . . . . . . . . 35 C CB . 50253 3 100 . 1 . 1 35 35 CYS N N 15 120.556000 . . . . . . . . 35 C N . 50253 3 101 . 1 . 1 36 36 THR H H 1 8.152000 . . . . . . . . 36 T HN . 50253 3 102 . 1 . 1 36 36 THR HA H 1 5.908000 . . . . . . . . 36 T HA . 50253 3 103 . 1 . 1 36 36 THR C C 13 176.062000 . . . . . . . . 36 T CO . 50253 3 104 . 1 . 1 36 36 THR CA C 13 60.034000 . . . . . . . . 36 T CA . 50253 3 105 . 1 . 1 36 36 THR CB C 13 71.420000 . . . . . . . . 36 T CB . 50253 3 106 . 1 . 1 36 36 THR N N 15 113.088000 . . . . . . . . 36 T N . 50253 3 107 . 1 . 1 37 37 THR HA H 1 3.813000 . . . . . . . . 37 T HA . 50253 3 108 . 1 . 1 37 37 THR CA C 13 60.766000 . . . . . . . . 37 T CA . 50253 3 109 . 1 . 1 37 37 THR CB C 13 69.088000 . . . . . . . . 37 T CB . 50253 3 110 . 1 . 1 39 39 GLY H H 1 11.109000 . . . . . . . . 39 G HN . 50253 3 111 . 1 . 1 39 39 GLY HA2 H 1 4.037000 . . . . . . . . 39 G HA . 50253 3 112 . 1 . 1 39 39 GLY HA3 H 1 4.037000 . . . . . . . . 39 G HA . 50253 3 113 . 1 . 1 39 39 GLY C C 13 175.888000 . . . . . . . . 39 G CO . 50253 3 114 . 1 . 1 39 39 GLY CA C 13 45.490000 . . . . . . . . 39 G CA . 50253 3 115 . 1 . 1 39 39 GLY N N 15 109.585000 . . . . . . . . 39 G N . 50253 3 116 . 1 . 1 40 40 GLY H H 1 8.331000 . . . . . . . . 40 G HN . 50253 3 117 . 1 . 1 40 40 GLY HA2 H 1 4.384000 . . . . . . . . 40 G HA2 . 50253 3 118 . 1 . 1 40 40 GLY HA3 H 1 3.529000 . . . . . . . . 40 G HA3 . 50253 3 119 . 1 . 1 40 40 GLY C C 13 174.540000 . . . . . . . . 40 G CO . 50253 3 120 . 1 . 1 40 40 GLY CA C 13 44.642000 . . . . . . . . 40 G CA . 50253 3 121 . 1 . 1 40 40 GLY N N 15 107.973000 . . . . . . . . 40 G N . 50253 3 122 . 1 . 1 41 41 THR H H 1 8.396000 . . . . . . . . 41 T HN . 50253 3 123 . 1 . 1 41 41 THR C C 13 173.294000 . . . . . . . . 41 T CO . 50253 3 124 . 1 . 1 41 41 THR CA C 13 65.666000 . . . . . . . . 41 T CA . 50253 3 125 . 1 . 1 41 41 THR CB C 13 67.336000 . . . . . . . . 41 T CB . 50253 3 126 . 1 . 1 41 41 THR N N 15 121.850000 . . . . . . . . 41 T N . 50253 3 127 . 1 . 1 42 42 LEU H H 1 8.875000 . . . . . . . . 42 L HN . 50253 3 128 . 1 . 1 42 42 LEU HA H 1 5.485000 . . . . . . . . 42 L HA . 50253 3 129 . 1 . 1 42 42 LEU C C 13 176.545000 . . . . . . . . 42 L CO . 50253 3 130 . 1 . 1 42 42 LEU CA C 13 54.176000 . . . . . . . . 42 L CA . 50253 3 131 . 1 . 1 42 42 LEU CB C 13 44.287000 . . . . . . . . 42 L CB . 50253 3 132 . 1 . 1 42 42 LEU N N 15 128.481000 . . . . . . . . 42 L N . 50253 3 133 . 1 . 1 43 43 PHE H H 1 9.300000 . . . . . . . . 43 F HN . 50253 3 134 . 1 . 1 43 43 PHE HA H 1 6.237000 . . . . . . . . 43 F HA . 50253 3 135 . 1 . 1 43 43 PHE C C 13 173.359000 . . . . . . . . 43 F CO . 50253 3 136 . 1 . 1 43 43 PHE CA C 13 56.448000 . . . . . . . . 43 F CA . 50253 3 137 . 1 . 1 43 43 PHE CB C 13 43.494000 . . . . . . . . 43 F CB . 50253 3 138 . 1 . 1 43 43 PHE N N 15 118.856000 . . . . . . . . 43 F N . 50253 3 139 . 1 . 1 44 44 SER H H 1 9.470000 . . . . . . . . 44 S HN . 50253 3 140 . 1 . 1 44 44 SER C C 13 172.680000 . . . . . . . . 44 S CO . 50253 3 141 . 1 . 1 44 44 SER CA C 13 57.228000 . . . . . . . . 44 S CA . 50253 3 142 . 1 . 1 44 44 SER CB C 13 65.573000 . . . . . . . . 44 S CB . 50253 3 143 . 1 . 1 44 44 SER N N 15 115.218000 . . . . . . . . 44 S N . 50253 3 144 . 1 . 1 45 45 THR H H 1 8.340000 . . . . . . . . 45 T HN . 50253 3 145 . 1 . 1 45 45 THR HA H 1 5.674000 . . . . . . . . 45 T HA . 50253 3 146 . 1 . 1 45 45 THR C C 13 175.586000 . . . . . . . . 45 T CO . 50253 3 147 . 1 . 1 45 45 THR CA C 13 60.860000 . . . . . . . . 45 T CA . 50253 3 148 . 1 . 1 45 45 THR CB C 13 71.020000 . . . . . . . . 45 T CB . 50253 3 149 . 1 . 1 45 45 THR N N 15 114.101000 . . . . . . . . 45 T N . 50253 3 150 . 1 . 1 46 46 THR CA C 13 60.874000 . . . . . . . . 46 T CA . 50253 3 151 . 1 . 1 46 46 THR CB C 13 69.064000 . . . . . . . . 46 T CB . 50253 3 152 . 1 . 1 47 47 PRO CA C 13 66.367000 . . . . . . . . 47 P CA . 50253 3 153 . 1 . 1 48 48 GLY H H 1 11.206000 . . . . . . . . 48 G HN . 50253 3 154 . 1 . 1 48 48 GLY HA2 H 1 4.009000 . . . . . . . . 48 G HA2 . 50253 3 155 . 1 . 1 48 48 GLY HA3 H 1 3.836000 . . . . . . . . 48 G HA3 . 50253 3 156 . 1 . 1 48 48 GLY C C 13 175.888000 . . . . . . . . 48 G CO . 50253 3 157 . 1 . 1 48 48 GLY CA C 13 45.490000 . . . . . . . . 48 G CA . 50253 3 158 . 1 . 1 48 48 GLY N N 15 109.698000 . . . . . . . . 48 G N . 50253 3 159 . 1 . 1 49 49 GLY H H 1 8.331000 . . . . . . . . 49 G HN . 50253 3 160 . 1 . 1 49 49 GLY HA2 H 1 4.353000 . . . . . . . . 49 G HA2 . 50253 3 161 . 1 . 1 49 49 GLY HA3 H 1 3.455000 . . . . . . . . 49 G HA3 . 50253 3 162 . 1 . 1 49 49 GLY C C 13 174.314000 . . . . . . . . 49 G CO . 50253 3 163 . 1 . 1 49 49 GLY CA C 13 44.642000 . . . . . . . . 49 G CA . 50253 3 164 . 1 . 1 49 49 GLY N N 15 107.973000 . . . . . . . . 49 G N . 50253 3 165 . 1 . 1 50 50 THR H H 1 8.396000 . . . . . . . . 50 T HN . 50253 3 166 . 1 . 1 50 50 THR C C 13 173.150000 . . . . . . . . 50 T CO . 50253 3 167 . 1 . 1 50 50 THR CA C 13 65.615000 . . . . . . . . 50 T CA . 50253 3 168 . 1 . 1 50 50 THR CB C 13 67.161000 . . . . . . . . 50 T CB . 50253 3 169 . 1 . 1 50 50 THR N N 15 121.850000 . . . . . . . . 50 T N . 50253 3 170 . 1 . 1 51 51 ARG H H 1 8.528000 . . . . . . . . 51 R HN . 50253 3 171 . 1 . 1 51 51 ARG HA H 1 4.948000 . . . . . . . . 51 R HA . 50253 3 172 . 1 . 1 51 51 ARG C C 13 174.282000 . . . . . . . . 51 R CO . 50253 3 173 . 1 . 1 51 51 ARG CA C 13 55.798000 . . . . . . . . 51 R CA . 50253 3 174 . 1 . 1 51 51 ARG CB C 13 31.546000 . . . . . . . . 51 R CB . 50253 3 175 . 1 . 1 51 51 ARG N N 15 126.834000 . . . . . . . . 51 R N . 50253 3 176 . 1 . 1 52 52 ILE H H 1 9.176000 . . . . . . . . 52 I HN . 50253 3 177 . 1 . 1 52 52 ILE HA H 1 4.516000 . . . . . . . . 52 I HA . 50253 3 178 . 1 . 1 52 52 ILE C C 13 175.080000 . . . . . . . . 52 I CO . 50253 3 179 . 1 . 1 52 52 ILE CA C 13 59.073000 . . . . . . . . 52 I CA . 50253 3 180 . 1 . 1 52 52 ILE CB C 13 38.304000 . . . . . . . . 52 I CB . 50253 3 181 . 1 . 1 52 52 ILE N N 15 128.385000 . . . . . . . . 52 I N . 50253 3 182 . 1 . 1 53 53 ILE H H 1 8.608000 . . . . . . . . 53 I HN . 50253 3 183 . 1 . 1 53 53 ILE HA H 1 4.528000 . . . . . . . . 53 I HA . 50253 3 184 . 1 . 1 53 53 ILE C C 13 175.538000 . . . . . . . . 53 I CO . 50253 3 185 . 1 . 1 53 53 ILE CA C 13 59.184000 . . . . . . . . 53 I CA . 50253 3 186 . 1 . 1 53 53 ILE CB C 13 38.641000 . . . . . . . . 53 I CB . 50253 3 187 . 1 . 1 53 53 ILE N N 15 125.306000 . . . . . . . . 53 I N . 50253 3 188 . 1 . 1 54 54 TYR H H 1 8.137000 . . . . . . . . 54 Y HN . 50253 3 189 . 1 . 1 54 54 TYR HA H 1 4.938000 . . . . . . . . 54 Y HA . 50253 3 190 . 1 . 1 54 54 TYR C C 13 175.034000 . . . . . . . . 54 Y CO . 50253 3 191 . 1 . 1 54 54 TYR CA C 13 57.314000 . . . . . . . . 54 Y CA . 50253 3 192 . 1 . 1 54 54 TYR CB C 13 38.641000 . . . . . . . . 54 Y CB . 50253 3 193 . 1 . 1 54 54 TYR N N 15 124.813000 . . . . . . . . 54 Y N . 50253 3 194 . 1 . 1 55 55 ASP H H 1 8.784000 . . . . . . . . 55 D HN . 50253 3 195 . 1 . 1 55 55 ASP HA H 1 4.653000 . . . . . . . . 55 D HA . 50253 3 196 . 1 . 1 55 55 ASP C C 13 176.345000 . . . . . . . . 55 D CO . 50253 3 197 . 1 . 1 55 55 ASP CA C 13 53.181000 . . . . . . . . 55 D CA . 50253 3 198 . 1 . 1 55 55 ASP CB C 13 42.054000 . . . . . . . . 55 D CB . 50253 3 199 . 1 . 1 55 55 ASP N N 15 125.467000 . . . . . . . . 55 D N . 50253 3 200 . 1 . 1 56 56 ARG H H 1 8.463000 . . . . . . . . 56 R HN . 50253 3 201 . 1 . 1 56 56 ARG HA H 1 4.214000 . . . . . . . . 56 R HA . 50253 3 202 . 1 . 1 56 56 ARG C C 13 176.253000 . . . . . . . . 56 R CO . 50253 3 203 . 1 . 1 56 56 ARG CA C 13 56.384000 . . . . . . . . 56 R CA . 50253 3 204 . 1 . 1 56 56 ARG CB C 13 29.984000 . . . . . . . . 56 R CB . 50253 3 205 . 1 . 1 56 56 ARG N N 15 124.585000 . . . . . . . . 56 R N . 50253 3 206 . 1 . 1 57 57 LYS H H 1 8.564000 . . . . . . . . 57 K HN . 50253 3 207 . 1 . 1 57 57 LYS HA H 1 4.139000 . . . . . . . . 57 K HA . 50253 3 208 . 1 . 1 57 57 LYS C C 13 176.702000 . . . . . . . . 57 K CO . 50253 3 209 . 1 . 1 57 57 LYS CA C 13 57.039000 . . . . . . . . 57 K CA . 50253 3 210 . 1 . 1 57 57 LYS CB C 13 31.877000 . . . . . . . . 57 K CB . 50253 3 211 . 1 . 1 57 57 LYS N N 15 124.474000 . . . . . . . . 57 K N . 50253 3 212 . 1 . 1 58 58 PHE H H 1 7.683000 . . . . . . . . 58 F HN . 50253 3 213 . 1 . 1 58 58 PHE HA H 1 4.607000 . . . . . . . . 58 F HA . 50253 3 214 . 1 . 1 58 58 PHE C C 13 175.542000 . . . . . . . . 58 F CO . 50253 3 215 . 1 . 1 58 58 PHE CA C 13 56.919000 . . . . . . . . 58 F CA . 50253 3 216 . 1 . 1 58 58 PHE CB C 13 38.908000 . . . . . . . . 58 F CB . 50253 3 217 . 1 . 1 58 58 PHE N N 15 116.117000 . . . . . . . . 58 F N . 50253 3 218 . 1 . 1 59 59 LEU H H 1 7.731000 . . . . . . . . 59 L HN . 50253 3 219 . 1 . 1 59 59 LEU HA H 1 4.240000 . . . . . . . . 59 L HA . 50253 3 220 . 1 . 1 59 59 LEU C C 13 177.268000 . . . . . . . . 59 L CO . 50253 3 221 . 1 . 1 59 59 LEU CA C 13 55.266000 . . . . . . . . 59 L CA . 50253 3 222 . 1 . 1 59 59 LEU CB C 13 42.319000 . . . . . . . . 59 L CB . 50253 3 223 . 1 . 1 59 59 LEU N N 15 121.313000 . . . . . . . . 59 L N . 50253 3 224 . 1 . 1 60 60 LEU H H 1 8.013000 . . . . . . . . 60 L HN . 50253 3 225 . 1 . 1 60 60 LEU HA H 1 4.281000 . . . . . . . . 60 L HA . 50253 3 226 . 1 . 1 60 60 LEU C C 13 177.077000 . . . . . . . . 60 L CO . 50253 3 227 . 1 . 1 60 60 LEU CA C 13 55.261000 . . . . . . . . 60 L CA . 50253 3 228 . 1 . 1 60 60 LEU CB C 13 42.033000 . . . . . . . . 60 L CB . 50253 3 229 . 1 . 1 60 60 LEU N N 15 121.820000 . . . . . . . . 60 L N . 50253 3 230 . 1 . 1 61 61 ASP H H 1 8.215000 . . . . . . . . 61 D HN . 50253 3 231 . 1 . 1 61 61 ASP HA H 1 4.536000 . . . . . . . . 61 D HA . 50253 3 232 . 1 . 1 61 61 ASP C C 13 175.976000 . . . . . . . . 61 D CO . 50253 3 233 . 1 . 1 61 61 ASP CA C 13 54.312000 . . . . . . . . 61 D CA . 50253 3 234 . 1 . 1 61 61 ASP CB C 13 41.209000 . . . . . . . . 61 D CB . 50253 3 235 . 1 . 1 61 61 ASP N N 15 120.702000 . . . . . . . . 61 D N . 50253 3 236 . 1 . 1 62 62 ARG H H 1 8.121000 . . . . . . . . 62 R HN . 50253 3 237 . 1 . 1 62 62 ARG HA H 1 4.310000 . . . . . . . . 62 R HA . 50253 3 238 . 1 . 1 62 62 ARG CA C 13 55.944000 . . . . . . . . 62 R CA . 50253 3 239 . 1 . 1 62 62 ARG CB C 13 30.693000 . . . . . . . . 62 R CB . 50253 3 240 . 1 . 1 62 62 ARG N N 15 121.292000 . . . . . . . . 62 R N . 50253 3 241 . 1 . 1 63 63 ARG C C 13 176.103000 . . . . . . . . 63 R CO . 50253 3 242 . 1 . 1 63 63 ARG CA C 13 54.789000 . . . . . . . . 63 R CA . 50253 3 243 . 1 . 1 63 63 ARG CB C 13 30.693000 . . . . . . . . 63 R CB . 50253 3 244 . 1 . 1 64 64 ASN H H 1 8.621000 . . . . . . . . 64 N HN . 50253 3 245 . 1 . 1 64 64 ASN HA H 1 4.692000 . . . . . . . . 64 N HA . 50253 3 246 . 1 . 1 64 64 ASN CA C 13 53.184000 . . . . . . . . 64 N CA . 50253 3 247 . 1 . 1 64 64 ASN CB C 13 39.261000 . . . . . . . . 64 N CB . 50253 3 248 . 1 . 1 64 64 ASN N N 15 120.263000 . . . . . . . . 64 N N . 50253 3 249 . 1 . 1 65 65 SER CA C 13 56.315000 . . . . . . . . 65 S CA . 50253 3 250 . 1 . 1 65 65 SER CB C 13 64.699000 . . . . . . . . 65 S CB . 50253 3 251 . 1 . 1 66 66 PRO CA C 13 63.413000 . . . . . . . . 66 P CA . 50253 3 252 . 1 . 1 66 66 PRO CB C 13 32.184000 . . . . . . . . 66 P CB . 50253 3 253 . 1 . 1 67 67 MET H H 1 8.484000 . . . . . . . . 67 M HN . 50253 3 254 . 1 . 1 67 67 MET HA H 1 4.384000 . . . . . . . . 67 M HA . 50253 3 255 . 1 . 1 67 67 MET CA C 13 55.342000 . . . . . . . . 67 M CA . 50253 3 256 . 1 . 1 67 67 MET CB C 13 33.282000 . . . . . . . . 67 M CB . 50253 3 257 . 1 . 1 67 67 MET N N 15 120.639000 . . . . . . . . 67 M N . 50253 3 258 . 1 . 1 68 68 ALA H H 1 8.377000 . . . . . . . . 68 A HN . 50253 3 259 . 1 . 1 68 68 ALA HA H 1 4.266000 . . . . . . . . 68 A HA . 50253 3 260 . 1 . 1 68 68 ALA C C 13 177.257000 . . . . . . . . 68 A CO . 50253 3 261 . 1 . 1 68 68 ALA CA C 13 52.279000 . . . . . . . . 68 A CA . 50253 3 262 . 1 . 1 68 68 ALA CB C 13 19.442000 . . . . . . . . 68 A CB . 50253 3 263 . 1 . 1 68 68 ALA N N 15 126.105000 . . . . . . . . 68 A N . 50253 3 264 . 1 . 1 69 69 GLN H H 1 8.316000 . . . . . . . . 69 Q HN . 50253 3 265 . 1 . 1 69 69 GLN HA H 1 4.328000 . . . . . . . . 69 Q HA . 50253 3 266 . 1 . 1 69 69 GLN C C 13 175.505000 . . . . . . . . 69 Q CO . 50253 3 267 . 1 . 1 69 69 GLN CA C 13 55.297000 . . . . . . . . 69 Q CA . 50253 3 268 . 1 . 1 69 69 GLN CB C 13 30.353000 . . . . . . . . 69 Q CB . 50253 3 269 . 1 . 1 69 69 GLN N N 15 120.168000 . . . . . . . . 69 Q N . 50253 3 270 . 1 . 1 70 70 THR CA C 13 61.210000 . . . . . . . . 70 T CA . 50253 3 271 . 1 . 1 70 70 THR CB C 13 72.493000 . . . . . . . . 70 T CB . 50253 3 272 . 1 . 1 76 76 PRO CA C 13 62.773000 . . . . . . . . 76 P CA . 50253 3 273 . 1 . 1 76 76 PRO CB C 13 32.220000 . . . . . . . . 76 P CB . 50253 3 274 . 1 . 1 77 77 ASN H H 1 8.477000 . . . . . . . . 77 N HN . 50253 3 275 . 1 . 1 77 77 ASN CA C 13 53.114000 . . . . . . . . 77 N CA . 50253 3 276 . 1 . 1 77 77 ASN CB C 13 38.873000 . . . . . . . . 77 N CB . 50253 3 277 . 1 . 1 77 77 ASN N N 15 118.816000 . . . . . . . . 77 N N . 50253 3 278 . 1 . 1 79 79 PRO CA C 13 63.467000 . . . . . . . . 79 P CA . 50253 3 279 . 1 . 1 79 79 PRO CB C 13 32.199000 . . . . . . . . 79 P CB . 50253 3 280 . 1 . 1 80 80 GLY H H 1 8.541000 . . . . . . . . 80 G HN . 50253 3 281 . 1 . 1 80 80 GLY HA2 H 1 3.926000 . . . . . . . . 80 G HA . 50253 3 282 . 1 . 1 80 80 GLY HA3 H 1 3.926000 . . . . . . . . 80 G HA . 50253 3 283 . 1 . 1 80 80 GLY C C 13 174.027000 . . . . . . . . 80 G CO . 50253 3 284 . 1 . 1 80 80 GLY CA C 13 45.264000 . . . . . . . . 80 G CA . 50253 3 285 . 1 . 1 80 80 GLY N N 15 109.812000 . . . . . . . . 80 G N . 50253 3 286 . 1 . 1 81 81 VAL H H 1 8.034000 . . . . . . . . 81 V HN . 50253 3 287 . 1 . 1 81 81 VAL HA H 1 4.190000 . . . . . . . . 81 V HA . 50253 3 288 . 1 . 1 81 81 VAL C C 13 176.418000 . . . . . . . . 81 V CO . 50253 3 289 . 1 . 1 81 81 VAL CA C 13 62.444000 . . . . . . . . 81 V CA . 50253 3 290 . 1 . 1 81 81 VAL CB C 13 32.946000 . . . . . . . . 81 V CB . 50253 3 291 . 1 . 1 81 81 VAL N N 15 119.806000 . . . . . . . . 81 V N . 50253 3 292 . 1 . 1 82 82 THR H H 1 8.327000 . . . . . . . . 82 T HN . 50253 3 293 . 1 . 1 82 82 THR HA H 1 4.354000 . . . . . . . . 82 T HA . 50253 3 294 . 1 . 1 82 82 THR C C 13 174.222000 . . . . . . . . 82 T CO . 50253 3 295 . 1 . 1 82 82 THR CA C 13 61.723000 . . . . . . . . 82 T CA . 50253 3 296 . 1 . 1 82 82 THR CB C 13 70.018000 . . . . . . . . 82 T CB . 50253 3 297 . 1 . 1 82 82 THR N N 15 118.181000 . . . . . . . . 82 T N . 50253 3 298 . 1 . 1 83 83 SER CA C 13 55.799000 . . . . . . . . 83 S CA . 50253 3 299 . 1 . 1 83 83 SER CB C 13 64.875000 . . . . . . . . 83 S CB . 50253 3 300 . 1 . 1 84 84 PRO CA C 13 64.150000 . . . . . . . . 84 P CA . 50253 3 301 . 1 . 1 84 84 PRO CB C 13 32.279000 . . . . . . . . 84 P CB . 50253 3 302 . 1 . 1 85 85 GLY H H 1 8.565000 . . . . . . . . 85 G HN . 50253 3 303 . 1 . 1 85 85 GLY HA2 H 1 3.947000 . . . . . . . . 85 G HA . 50253 3 304 . 1 . 1 85 85 GLY HA3 H 1 3.947000 . . . . . . . . 85 G HA . 50253 3 305 . 1 . 1 85 85 GLY C C 13 174.590000 . . . . . . . . 85 G CO . 50253 3 306 . 1 . 1 85 85 GLY CA C 13 45.541000 . . . . . . . . 85 G CA . 50253 3 307 . 1 . 1 85 85 GLY N N 15 108.625000 . . . . . . . . 85 G N . 50253 3 308 . 1 . 1 86 86 THR H H 1 7.983000 . . . . . . . . 86 T HN . 50253 3 309 . 1 . 1 86 86 THR HA H 1 4.218000 . . . . . . . . 86 T HA . 50253 3 310 . 1 . 1 86 86 THR C C 13 174.364000 . . . . . . . . 86 T CO . 50253 3 311 . 1 . 1 86 86 THR CA C 13 62.372000 . . . . . . . . 86 T CA . 50253 3 312 . 1 . 1 86 86 THR CB C 13 69.711000 . . . . . . . . 86 T CB . 50253 3 313 . 1 . 1 86 86 THR N N 15 115.217000 . . . . . . . . 86 T N . 50253 3 314 . 1 . 1 87 87 LEU H H 1 8.303000 . . . . . . . . 87 L HN . 50253 3 315 . 1 . 1 87 87 LEU HA H 1 4.344000 . . . . . . . . 87 L HA . 50253 3 316 . 1 . 1 87 87 LEU C C 13 177.096000 . . . . . . . . 87 L CO . 50253 3 317 . 1 . 1 87 87 LEU CA C 13 55.263000 . . . . . . . . 87 L CA . 50253 3 318 . 1 . 1 87 87 LEU CB C 13 42.342000 . . . . . . . . 87 L CB . 50253 3 319 . 1 . 1 87 87 LEU N N 15 125.573000 . . . . . . . . 87 L N . 50253 3 320 . 1 . 1 88 88 ILE H H 1 8.201000 . . . . . . . . 88 I HN . 50253 3 321 . 1 . 1 88 88 ILE HA H 1 4.103000 . . . . . . . . 88 I HA . 50253 3 322 . 1 . 1 88 88 ILE C C 13 176.305000 . . . . . . . . 88 I CO . 50253 3 323 . 1 . 1 88 88 ILE CA C 13 61.565000 . . . . . . . . 88 I CA . 50253 3 324 . 1 . 1 88 88 ILE CB C 13 38.623000 . . . . . . . . 88 I CB . 50253 3 325 . 1 . 1 88 88 ILE N N 15 123.130000 . . . . . . . . 88 I N . 50253 3 326 . 1 . 1 89 89 GLU H H 1 8.519000 . . . . . . . . 89 E HN . 50253 3 327 . 1 . 1 89 89 GLU HA H 1 4.249000 . . . . . . . . 89 E HA . 50253 3 328 . 1 . 1 89 89 GLU CA C 13 56.405000 . . . . . . . . 89 E CA . 50253 3 329 . 1 . 1 89 89 GLU CB C 13 30.693000 . . . . . . . . 89 E CB . 50253 3 330 . 1 . 1 89 89 GLU N N 15 125.637000 . . . . . . . . 89 E N . 50253 3 331 . 1 . 1 90 90 ASP HA H 1 4.514000 . . . . . . . . 90 D HA . 50253 3 332 . 1 . 1 90 90 ASP C C 13 176.437000 . . . . . . . . 90 D CO . 50253 3 333 . 1 . 1 90 90 ASP CA C 13 54.497000 . . . . . . . . 90 D CA . 50253 3 334 . 1 . 1 90 90 ASP CB C 13 41.344000 . . . . . . . . 90 D CB . 50253 3 335 . 1 . 1 91 91 SER H H 1 8.285000 . . . . . . . . 91 S HN . 50253 3 336 . 1 . 1 91 91 SER HA H 1 4.357000 . . . . . . . . 91 S HA . 50253 3 337 . 1 . 1 91 91 SER C C 13 174.644000 . . . . . . . . 91 S CO . 50253 3 338 . 1 . 1 91 91 SER CA C 13 58.525000 . . . . . . . . 91 S CA . 50253 3 339 . 1 . 1 91 91 SER CB C 13 63.379000 . . . . . . . . 91 S CB . 50253 3 340 . 1 . 1 91 91 SER N N 15 116.382000 . . . . . . . . 91 S N . 50253 3 341 . 1 . 1 92 92 LYS H H 1 8.349000 . . . . . . . . 92 K HN . 50253 3 342 . 1 . 1 92 92 LYS HA H 1 4.320000 . . . . . . . . 92 K HA . 50253 3 343 . 1 . 1 92 92 LYS C C 13 176.503000 . . . . . . . . 92 K CO . 50253 3 344 . 1 . 1 92 92 LYS CA C 13 56.278000 . . . . . . . . 92 K CA . 50253 3 345 . 1 . 1 92 92 LYS CB C 13 32.810000 . . . . . . . . 92 K CB . 50253 3 346 . 1 . 1 92 92 LYS N N 15 123.288000 . . . . . . . . 92 K N . 50253 3 347 . 1 . 1 93 93 VAL H H 1 8.036000 . . . . . . . . 93 V HN . 50253 3 348 . 1 . 1 93 93 VAL HA H 1 4.036000 . . . . . . . . 93 V HA . 50253 3 349 . 1 . 1 93 93 VAL C C 13 176.080000 . . . . . . . . 93 V CO . 50253 3 350 . 1 . 1 93 93 VAL CA C 13 62.217000 . . . . . . . . 93 V CA . 50253 3 351 . 1 . 1 93 93 VAL CB C 13 32.886000 . . . . . . . . 93 V CB . 50253 3 352 . 1 . 1 93 93 VAL N N 15 121.308000 . . . . . . . . 93 V N . 50253 3 353 . 1 . 1 94 94 GLU H H 1 8.501000 . . . . . . . . 94 E HN . 50253 3 354 . 1 . 1 94 94 GLU HA H 1 4.301000 . . . . . . . . 94 E HA . 50253 3 355 . 1 . 1 94 94 GLU C C 13 176.506000 . . . . . . . . 94 E CO . 50253 3 356 . 1 . 1 94 94 GLU CA C 13 56.135000 . . . . . . . . 94 E CA . 50253 3 357 . 1 . 1 94 94 GLU CB C 13 30.388000 . . . . . . . . 94 E CB . 50253 3 358 . 1 . 1 94 94 GLU N N 15 125.309000 . . . . . . . . 94 E N . 50253 3 359 . 1 . 1 95 95 VAL H H 1 8.260000 . . . . . . . . 95 V HN . 50253 3 360 . 1 . 1 95 95 VAL HA H 1 4.045000 . . . . . . . . 95 V HA . 50253 3 361 . 1 . 1 95 95 VAL C C 13 175.926000 . . . . . . . . 95 V CO . 50253 3 362 . 1 . 1 95 95 VAL CA C 13 62.430000 . . . . . . . . 95 V CA . 50253 3 363 . 1 . 1 95 95 VAL CB C 13 32.774000 . . . . . . . . 95 V CB . 50253 3 364 . 1 . 1 95 95 VAL N N 15 121.657000 . . . . . . . . 95 V N . 50253 3 365 . 1 . 1 96 96 ASN H H 1 8.542000 . . . . . . . . 96 N HN . 50253 3 366 . 1 . 1 96 96 ASN HA H 1 4.675000 . . . . . . . . 96 N HA . 50253 3 367 . 1 . 1 96 96 ASN CA C 13 53.242000 . . . . . . . . 96 N CA . 50253 3 368 . 1 . 1 96 96 ASN CB C 13 38.945000 . . . . . . . . 96 N CB . 50253 3 369 . 1 . 1 96 96 ASN N N 15 122.019000 . . . . . . . . 96 N N . 50253 3 370 . 1 . 1 97 97 ASN H H 1 8.432000 . . . . . . . . 97 N HN . 50253 3 371 . 1 . 1 97 97 ASN CA C 13 53.340000 . . . . . . . . 97 N CA . 50253 3 372 . 1 . 1 97 97 ASN CB C 13 38.907000 . . . . . . . . 97 N CB . 50253 3 373 . 1 . 1 97 97 ASN N N 15 119.644000 . . . . . . . . 97 N N . 50253 3 374 . 1 . 1 98 98 LEU H H 1 8.245000 . . . . . . . . 98 L HN . 50253 3 375 . 1 . 1 98 98 LEU HA H 1 4.248000 . . . . . . . . 98 L HA . 50253 3 376 . 1 . 1 98 98 LEU C C 13 177.459000 . . . . . . . . 98 L CO . 50253 3 377 . 1 . 1 98 98 LEU CA C 13 55.772000 . . . . . . . . 98 L CA . 50253 3 378 . 1 . 1 98 98 LEU CB C 13 42.404000 . . . . . . . . 98 L CB . 50253 3 379 . 1 . 1 98 98 LEU N N 15 121.986000 . . . . . . . . 98 L N . 50253 3 380 . 1 . 1 99 99 ASN H H 1 8.340000 . . . . . . . . 99 N HN . 50253 3 381 . 1 . 1 99 99 ASN HA H 1 4.627000 . . . . . . . . 99 N HA . 50253 3 382 . 1 . 1 99 99 ASN CA C 13 53.398000 . . . . . . . . 99 N CA . 50253 3 383 . 1 . 1 99 99 ASN CB C 13 38.770000 . . . . . . . . 99 N CB . 50253 3 384 . 1 . 1 99 99 ASN N N 15 118.076000 . . . . . . . . 99 N N . 50253 3 385 . 1 . 1 100 100 ASN H H 1 8.247000 . . . . . . . . 100 N HN . 50253 3 386 . 1 . 1 100 100 ASN HA H 1 4.625000 . . . . . . . . 100 N HA . 50253 3 387 . 1 . 1 100 100 ASN CA C 13 53.352000 . . . . . . . . 100 N CA . 50253 3 388 . 1 . 1 100 100 ASN CB C 13 38.880000 . . . . . . . . 100 N CB . 50253 3 389 . 1 . 1 100 100 ASN N N 15 118.485000 . . . . . . . . 100 N N . 50253 3 390 . 1 . 1 101 101 LEU H H 1 8.144000 . . . . . . . . 101 L HN . 50253 3 391 . 1 . 1 101 101 LEU CA C 13 55.643000 . . . . . . . . 101 L CA . 50253 3 392 . 1 . 1 101 101 LEU CB C 13 42.082000 . . . . . . . . 101 L CB . 50253 3 393 . 1 . 1 101 101 LEU N N 15 121.798000 . . . . . . . . 101 L N . 50253 3 394 . 1 . 1 105 105 ASP C C 13 176.250000 . . . . . . . . 105 D CO . 50253 3 395 . 1 . 1 105 105 ASP CA C 13 54.431000 . . . . . . . . 105 D CA . 50253 3 396 . 1 . 1 106 106 ARG H H 1 8.221000 . . . . . . . . 106 R HN . 50253 3 397 . 1 . 1 106 106 ARG HA H 1 4.242000 . . . . . . . . 106 R HA . 50253 3 398 . 1 . 1 106 106 ARG C C 13 176.359000 . . . . . . . . 106 R CO . 50253 3 399 . 1 . 1 106 106 ARG CA C 13 56.648000 . . . . . . . . 106 R CA . 50253 3 400 . 1 . 1 106 106 ARG CB C 13 30.430000 . . . . . . . . 106 R CB . 50253 3 401 . 1 . 1 106 106 ARG N N 15 121.285000 . . . . . . . . 106 R N . 50253 3 402 . 1 . 1 107 107 LYS H H 1 8.318000 . . . . . . . . 107 K HN . 50253 3 403 . 1 . 1 107 107 LYS HA H 1 4.191000 . . . . . . . . 107 K HA . 50253 3 404 . 1 . 1 107 107 LYS C C 13 176.432000 . . . . . . . . 107 K CO . 50253 3 405 . 1 . 1 107 107 LYS CA C 13 56.354000 . . . . . . . . 107 K CA . 50253 3 406 . 1 . 1 107 107 LYS CB C 13 32.809000 . . . . . . . . 107 K CB . 50253 3 407 . 1 . 1 107 107 LYS N N 15 122.025000 . . . . . . . . 107 K N . 50253 3 408 . 1 . 1 108 108 HIS H H 1 8.247000 . . . . . . . . 108 H HN . 50253 3 409 . 1 . 1 108 108 HIS C C 13 174.785000 . . . . . . . . 108 H CO . 50253 3 410 . 1 . 1 108 108 HIS CA C 13 55.910000 . . . . . . . . 108 H CA . 50253 3 411 . 1 . 1 108 108 HIS CB C 13 30.982000 . . . . . . . . 108 H CB . 50253 3 412 . 1 . 1 108 108 HIS N N 15 120.102000 . . . . . . . . 108 H N . 50253 3 413 . 1 . 1 109 109 ALA H H 1 8.290000 . . . . . . . . 109 A HN . 50253 3 414 . 1 . 1 109 109 ALA HA H 1 4.320000 . . . . . . . . 109 A HA . 50253 3 415 . 1 . 1 109 109 ALA C C 13 177.442000 . . . . . . . . 109 A CO . 50253 3 416 . 1 . 1 109 109 ALA CA C 13 52.225000 . . . . . . . . 109 A CA . 50253 3 417 . 1 . 1 109 109 ALA CB C 13 19.531000 . . . . . . . . 109 A CB . 50253 3 418 . 1 . 1 109 109 ALA N N 15 125.577000 . . . . . . . . 109 A N . 50253 3 419 . 1 . 1 110 110 VAL H H 1 8.211000 . . . . . . . . 110 V HN . 50253 3 420 . 1 . 1 110 110 VAL HA H 1 4.072000 . . . . . . . . 110 V HA . 50253 3 421 . 1 . 1 110 110 VAL C C 13 176.746000 . . . . . . . . 110 V CO . 50253 3 422 . 1 . 1 110 110 VAL CA C 13 62.452000 . . . . . . . . 110 V CA . 50253 3 423 . 1 . 1 110 110 VAL CB C 13 32.823000 . . . . . . . . 110 V CB . 50253 3 424 . 1 . 1 110 110 VAL N N 15 119.389000 . . . . . . . . 110 V N . 50253 3 425 . 1 . 1 111 111 GLY H H 1 8.495000 . . . . . . . . 111 G HN . 50253 3 426 . 1 . 1 111 111 GLY HA2 H 1 3.946000 . . . . . . . . 111 G HA . 50253 3 427 . 1 . 1 111 111 GLY HA3 H 1 3.946000 . . . . . . . . 111 G HA . 50253 3 428 . 1 . 1 111 111 GLY C C 13 174.099000 . . . . . . . . 111 G CO . 50253 3 429 . 1 . 1 111 111 GLY CA C 13 45.145000 . . . . . . . . 111 G CA . 50253 3 430 . 1 . 1 111 111 GLY N N 15 112.475000 . . . . . . . . 111 G N . 50253 3 431 . 1 . 1 112 112 ASP H H 1 8.280000 . . . . . . . . 112 D HN . 50253 3 432 . 1 . 1 112 112 ASP HA H 1 4.561000 . . . . . . . . 112 D HA . 50253 3 433 . 1 . 1 112 112 ASP C C 13 176.242000 . . . . . . . . 112 D CO . 50253 3 434 . 1 . 1 112 112 ASP CA C 13 54.631000 . . . . . . . . 112 D CA . 50253 3 435 . 1 . 1 112 112 ASP CB C 13 41.251000 . . . . . . . . 112 D CB . 50253 3 436 . 1 . 1 112 112 ASP N N 15 120.975000 . . . . . . . . 112 D N . 50253 3 437 . 1 . 1 113 113 ASP H H 1 8.359000 . . . . . . . . 113 D HN . 50253 3 438 . 1 . 1 113 113 ASP C C 13 176.248000 . . . . . . . . 113 D CO . 50253 3 439 . 1 . 1 113 113 ASP CA C 13 54.539000 . . . . . . . . 113 D CA . 50253 3 440 . 1 . 1 113 113 ASP CB C 13 40.928000 . . . . . . . . 113 D CB . 50253 3 441 . 1 . 1 113 113 ASP N N 15 120.288000 . . . . . . . . 113 D N . 50253 3 442 . 1 . 1 114 114 ALA H H 1 8.132000 . . . . . . . . 114 A HN . 50253 3 443 . 1 . 1 114 114 ALA HA H 1 4.187000 . . . . . . . . 114 A HA . 50253 3 444 . 1 . 1 114 114 ALA C C 13 177.715000 . . . . . . . . 114 A CO . 50253 3 445 . 1 . 1 114 114 ALA CA C 13 52.913000 . . . . . . . . 114 A CA . 50253 3 446 . 1 . 1 114 114 ALA CB C 13 19.065000 . . . . . . . . 114 A CB . 50253 3 447 . 1 . 1 114 114 ALA N N 15 123.907000 . . . . . . . . 114 A N . 50253 3 448 . 1 . 1 115 115 GLN H H 1 8.188000 . . . . . . . . 115 Q HN . 50253 3 449 . 1 . 1 115 115 GLN HA H 1 4.192000 . . . . . . . . 115 Q HA . 50253 3 450 . 1 . 1 115 115 GLN C C 13 175.683000 . . . . . . . . 115 Q CO . 50253 3 451 . 1 . 1 115 115 GLN CA C 13 55.810000 . . . . . . . . 115 Q CA . 50253 3 452 . 1 . 1 115 115 GLN CB C 13 29.378000 . . . . . . . . 115 Q CB . 50253 3 453 . 1 . 1 115 115 GLN N N 15 118.703000 . . . . . . . . 115 Q N . 50253 3 454 . 1 . 1 116 116 PHE H H 1 8.108000 . . . . . . . . 116 F HN . 50253 3 455 . 1 . 1 116 116 PHE HA H 1 4.607000 . . . . . . . . 116 F HA . 50253 3 456 . 1 . 1 116 116 PHE C C 13 175.562000 . . . . . . . . 116 F CO . 50253 3 457 . 1 . 1 116 116 PHE CA C 13 57.594000 . . . . . . . . 116 F CA . 50253 3 458 . 1 . 1 116 116 PHE CB C 13 39.694000 . . . . . . . . 116 F CB . 50253 3 459 . 1 . 1 116 116 PHE N N 15 120.759000 . . . . . . . . 116 F N . 50253 3 460 . 1 . 1 117 117 GLU H H 1 8.294000 . . . . . . . . 117 E HN . 50253 3 461 . 1 . 1 117 117 GLU HA H 1 4.268000 . . . . . . . . 117 E HA . 50253 3 462 . 1 . 1 117 117 GLU C C 13 175.935000 . . . . . . . . 117 E CO . 50253 3 463 . 1 . 1 117 117 GLU CA C 13 56.512000 . . . . . . . . 117 E CA . 50253 3 464 . 1 . 1 117 117 GLU CB C 13 30.440000 . . . . . . . . 117 E CB . 50253 3 465 . 1 . 1 117 117 GLU N N 15 122.244000 . . . . . . . . 117 E N . 50253 3 466 . 1 . 1 118 118 MET H H 1 8.280000 . . . . . . . . 118 M HN . 50253 3 467 . 1 . 1 118 118 MET HA H 1 4.434000 . . . . . . . . 118 M HA . 50253 3 468 . 1 . 1 118 118 MET CA C 13 55.386000 . . . . . . . . 118 M CA . 50253 3 469 . 1 . 1 118 118 MET CB C 13 33.480000 . . . . . . . . 118 M CB . 50253 3 470 . 1 . 1 118 118 MET N N 15 120.975000 . . . . . . . . 118 M N . 50253 3 471 . 1 . 1 119 119 ASP H H 1 8.439000 . . . . . . . . 119 D HN . 50253 3 472 . 1 . 1 119 119 ASP HA H 1 4.611000 . . . . . . . . 119 D HA . 50253 3 473 . 1 . 1 119 119 ASP C C 13 174.998000 . . . . . . . . 119 D CO . 50253 3 474 . 1 . 1 119 119 ASP CA C 13 54.472000 . . . . . . . . 119 D CA . 50253 3 475 . 1 . 1 119 119 ASP CB C 13 40.814000 . . . . . . . . 119 D CB . 50253 3 476 . 1 . 1 119 119 ASP N N 15 122.339000 . . . . . . . . 119 D N . 50253 3 477 . 1 . 1 120 120 ILE H H 1 7.614000 . . . . . . . . 120 I HN . 50253 3 478 . 1 . 1 120 120 ILE CA C 13 62.756000 . . . . . . . . 120 I CA . 50253 3 479 . 1 . 1 120 120 ILE CB C 13 39.872000 . . . . . . . . 120 I CB . 50253 3 480 . 1 . 1 120 120 ILE N N 15 124.719000 . . . . . . . . 120 I N . 50253 3 stop_ save_ save_assigned_chemical_shifts_4 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_4 _Assigned_chem_shift_list.Entry_ID 50253 _Assigned_chem_shift_list.ID 4 _Assigned_chem_shift_list.Name 4phos_pH7.4 _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' . . . 50253 4 2 '3D HNCO' . . . 50253 4 3 '3D CBCA(CO)NH' . . . 50253 4 4 '3D HNCACB' . . . 50253 4 5 '3D HBHA(CO)NH' . . . 50253 4 6 '3D 1H-15N NOESY' . . . 50253 4 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 . . 50253 4 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 6 6 GLY H H 1 8.358000 . . . . . . . . 6 G HN . 50253 4 2 . 1 . 1 6 6 GLY HA2 H 1 3.963000 . . . . . . . . 6 G HA . 50253 4 3 . 1 . 1 6 6 GLY HA3 H 1 3.963000 . . . . . . . . 6 G HA . 50253 4 4 . 1 . 1 6 6 GLY C C 13 174.410000 . . . . . . . . 6 G CO . 50253 4 5 . 1 . 1 6 6 GLY CA C 13 45.267000 . . . . . . . . 6 G CA . 50253 4 6 . 1 . 1 6 6 GLY N N 15 108.149000 . . . . . . . . 6 G N . 50253 4 7 . 1 . 1 7 7 SER H H 1 8.291000 . . . . . . . . 7 S HN . 50253 4 8 . 1 . 1 7 7 SER HA H 1 4.424000 . . . . . . . . 7 S HA . 50253 4 9 . 1 . 1 7 7 SER C C 13 175.170000 . . . . . . . . 7 S CO . 50253 4 10 . 1 . 1 7 7 SER N N 15 115.737000 . . . . . . . . 7 S N . 50253 4 11 . 1 . 1 8 8 GLY H H 1 8.507000 . . . . . . . . 8 G HN . 50253 4 12 . 1 . 1 8 8 GLY C C 13 174.927000 . . . . . . . . 8 G CO . 50253 4 13 . 1 . 1 8 8 GLY CA C 13 45.324000 . . . . . . . . 8 G CA . 50253 4 14 . 1 . 1 8 8 GLY N N 15 110.695000 . . . . . . . . 8 G N . 50253 4 15 . 1 . 1 9 9 HIS H H 1 8.247000 . . . . . . . . 9 H HN . 50253 4 16 . 1 . 1 9 9 HIS HA H 1 4.577000 . . . . . . . . 9 H HA . 50253 4 17 . 1 . 1 9 9 HIS C C 13 175.175000 . . . . . . . . 9 H CO . 50253 4 18 . 1 . 1 9 9 HIS CA C 13 56.289000 . . . . . . . . 9 H CA . 50253 4 19 . 1 . 1 9 9 HIS CB C 13 30.908000 . . . . . . . . 9 H CB . 50253 4 20 . 1 . 1 9 9 HIS N N 15 118.737000 . . . . . . . . 9 H N . 50253 4 21 . 1 . 1 10 10 GLN H H 1 8.371000 . . . . . . . . 10 Q HN . 50253 4 22 . 1 . 1 10 10 GLN CA C 13 53.415000 . . . . . . . . 10 Q CA . 50253 4 23 . 1 . 1 10 10 GLN CB C 13 28.981000 . . . . . . . . 10 Q CB . 50253 4 24 . 1 . 1 10 10 GLN N N 15 123.417000 . . . . . . . . 10 Q N . 50253 4 25 . 1 . 1 12 12 SER H H 1 8.532000 . . . . . . . . 12 S HN . 50253 4 26 . 1 . 1 12 12 SER CA C 13 58.617000 . . . . . . . . 12 S CA . 50253 4 27 . 1 . 1 12 12 SER CB C 13 63.686000 . . . . . . . . 12 S CB . 50253 4 28 . 1 . 1 12 12 SER N N 15 116.254000 . . . . . . . . 12 S N . 50253 4 29 . 1 . 1 14 14 SER H H 1 8.351000 . . . . . . . . 14 S HN . 50253 4 30 . 1 . 1 14 14 SER N N 15 117.072000 . . . . . . . . 14 S N . 50253 4 31 . 1 . 1 18 18 PRO HA H 1 4.441000 . . . . . . . . 18 P HA . 50253 4 32 . 1 . 1 18 18 PRO CA C 13 63.395000 . . . . . . . . 18 P CA . 50253 4 33 . 1 . 1 18 18 PRO CB C 13 32.057000 . . . . . . . . 18 P CB . 50253 4 34 . 1 . 1 19 19 THR H H 1 8.135000 . . . . . . . . 19 T HN . 50253 4 35 . 1 . 1 19 19 THR HA H 1 5.361000 . . . . . . . . 19 T HA . 50253 4 36 . 1 . 1 19 19 THR C C 13 174.099000 . . . . . . . . 19 T CO . 50253 4 37 . 1 . 1 19 19 THR CA C 13 60.606000 . . . . . . . . 19 T CA . 50253 4 38 . 1 . 1 19 19 THR CB C 13 72.161000 . . . . . . . . 19 T CB . 50253 4 39 . 1 . 1 19 19 THR N N 15 115.231000 . . . . . . . . 19 T N . 50253 4 40 . 1 . 1 20 20 ARG H H 1 8.768000 . . . . . . . . 20 R HN . 50253 4 41 . 1 . 1 20 20 ARG HA H 1 4.562000 . . . . . . . . 20 R HA . 50253 4 42 . 1 . 1 20 20 ARG C C 13 174.266000 . . . . . . . . 20 R CO . 50253 4 43 . 1 . 1 20 20 ARG CA C 13 55.319000 . . . . . . . . 20 R CA . 50253 4 44 . 1 . 1 20 20 ARG CB C 13 33.296000 . . . . . . . . 20 R CB . 50253 4 45 . 1 . 1 20 20 ARG N N 15 123.612000 . . . . . . . . 20 R N . 50253 4 46 . 1 . 1 21 21 THR H H 1 8.519000 . . . . . . . . 21 T HN . 50253 4 47 . 1 . 1 21 21 THR HA H 1 5.071000 . . . . . . . . 21 T HA . 50253 4 48 . 1 . 1 21 21 THR C C 13 174.485000 . . . . . . . . 21 T CO . 50253 4 49 . 1 . 1 21 21 THR CA C 13 61.725000 . . . . . . . . 21 T CA . 50253 4 50 . 1 . 1 21 21 THR CB C 13 70.090000 . . . . . . . . 21 T CB . 50253 4 51 . 1 . 1 21 21 THR N N 15 118.101000 . . . . . . . . 21 T N . 50253 4 52 . 1 . 1 22 22 VAL H H 1 8.875000 . . . . . . . . 22 V HN . 50253 4 53 . 1 . 1 22 22 VAL HA H 1 4.220000 . . . . . . . . 22 V HA . 50253 4 54 . 1 . 1 22 22 VAL C C 13 174.224000 . . . . . . . . 22 V CO . 50253 4 55 . 1 . 1 22 22 VAL CA C 13 61.005000 . . . . . . . . 22 V CA . 50253 4 56 . 1 . 1 22 22 VAL CB C 13 34.664000 . . . . . . . . 22 V CB . 50253 4 57 . 1 . 1 22 22 VAL N N 15 127.314000 . . . . . . . . 22 V N . 50253 4 58 . 1 . 1 23 23 ALA H H 1 8.656000 . . . . . . . . 23 A HN . 50253 4 59 . 1 . 1 23 23 ALA CA C 13 51.497000 . . . . . . . . 23 A CA . 50253 4 60 . 1 . 1 23 23 ALA CB C 13 19.266000 . . . . . . . . 23 A CB . 50253 4 61 . 1 . 1 23 23 ALA N N 15 129.829000 . . . . . . . . 23 A N . 50253 4 62 . 1 . 1 25 25 SER H H 1 8.887000 . . . . . . . . 25 S HN . 50253 4 63 . 1 . 1 25 25 SER HA H 1 4.552000 . . . . . . . . 25 S HA . 50253 4 64 . 1 . 1 25 25 SER C C 13 173.643000 . . . . . . . . 25 S CO . 50253 4 65 . 1 . 1 25 25 SER CA C 13 58.618000 . . . . . . . . 25 S CA . 50253 4 66 . 1 . 1 25 25 SER CB C 13 64.219000 . . . . . . . . 25 S CB . 50253 4 67 . 1 . 1 25 25 SER N N 15 118.150000 . . . . . . . . 25 S N . 50253 4 68 . 1 . 1 26 26 ASP H H 1 7.640000 . . . . . . . . 26 D HN . 50253 4 69 . 1 . 1 26 26 ASP HA H 1 4.407000 . . . . . . . . 26 D HA . 50253 4 70 . 1 . 1 26 26 ASP C C 13 175.394000 . . . . . . . . 26 D CO . 50253 4 71 . 1 . 1 26 26 ASP CA C 13 53.697000 . . . . . . . . 26 D CA . 50253 4 72 . 1 . 1 26 26 ASP CB C 13 44.261000 . . . . . . . . 26 D CB . 50253 4 73 . 1 . 1 26 26 ASP N N 15 121.231000 . . . . . . . . 26 D N . 50253 4 74 . 1 . 1 27 27 ALA H H 1 8.580000 . . . . . . . . 27 A HN . 50253 4 75 . 1 . 1 27 27 ALA HA H 1 3.652000 . . . . . . . . 27 A HA . 50253 4 76 . 1 . 1 27 27 ALA C C 13 178.530000 . . . . . . . . 27 A CO . 50253 4 77 . 1 . 1 27 27 ALA CA C 13 54.291000 . . . . . . . . 27 A CA . 50253 4 78 . 1 . 1 27 27 ALA CB C 13 18.267000 . . . . . . . . 27 A CB . 50253 4 79 . 1 . 1 27 27 ALA N N 15 127.101000 . . . . . . . . 27 A N . 50253 4 80 . 1 . 1 28 28 ALA H H 1 8.699000 . . . . . . . . 28 A HN . 50253 4 81 . 1 . 1 28 28 ALA HA H 1 4.147000 . . . . . . . . 28 A HA . 50253 4 82 . 1 . 1 28 28 ALA C C 13 178.245000 . . . . . . . . 28 A CO . 50253 4 83 . 1 . 1 28 28 ALA CA C 13 53.578000 . . . . . . . . 28 A CA . 50253 4 84 . 1 . 1 28 28 ALA CB C 13 18.393000 . . . . . . . . 28 A CB . 50253 4 85 . 1 . 1 28 28 ALA N N 15 120.761000 . . . . . . . . 28 A N . 50253 4 86 . 1 . 1 29 29 GLN H H 1 7.769000 . . . . . . . . 29 Q HN . 50253 4 87 . 1 . 1 29 29 GLN HA H 1 4.146000 . . . . . . . . 29 Q HA . 50253 4 88 . 1 . 1 29 29 GLN C C 13 176.302000 . . . . . . . . 29 Q CO . 50253 4 89 . 1 . 1 29 29 GLN CA C 13 55.645000 . . . . . . . . 29 Q CA . 50253 4 90 . 1 . 1 29 29 GLN CB C 13 29.537000 . . . . . . . . 29 Q CB . 50253 4 91 . 1 . 1 29 29 GLN N N 15 114.737000 . . . . . . . . 29 Q N . 50253 4 92 . 1 . 1 30 30 LEU H H 1 7.386000 . . . . . . . . 30 L HN . 50253 4 93 . 1 . 1 30 30 LEU CA C 13 52.849000 . . . . . . . . 30 L CA . 50253 4 94 . 1 . 1 30 30 LEU CB C 13 41.360000 . . . . . . . . 30 L CB . 50253 4 95 . 1 . 1 30 30 LEU N N 15 121.581000 . . . . . . . . 30 L N . 50253 4 96 . 1 . 1 31 31 PRO HA H 1 4.498000 . . . . . . . . 31 P HA . 50253 4 97 . 1 . 1 31 31 PRO CA C 13 62.248000 . . . . . . . . 31 P CA . 50253 4 98 . 1 . 1 31 31 PRO CB C 13 32.171000 . . . . . . . . 31 P CB . 50253 4 99 . 1 . 1 32 32 HIS H H 1 8.466000 . . . . . . . . 32 H HN . 50253 4 100 . 1 . 1 32 32 HIS HA H 1 4.350000 . . . . . . . . 32 H HA . 50253 4 101 . 1 . 1 32 32 HIS C C 13 175.536000 . . . . . . . . 32 H CO . 50253 4 102 . 1 . 1 32 32 HIS CA C 13 58.050000 . . . . . . . . 32 H CA . 50253 4 103 . 1 . 1 32 32 HIS CB C 13 30.238000 . . . . . . . . 32 H CB . 50253 4 104 . 1 . 1 32 32 HIS N N 15 117.622000 . . . . . . . . 32 H N . 50253 4 105 . 1 . 1 33 33 ASP H H 1 8.017000 . . . . . . . . 33 D HN . 50253 4 106 . 1 . 1 33 33 ASP HA H 1 4.489000 . . . . . . . . 33 D HA . 50253 4 107 . 1 . 1 33 33 ASP C C 13 175.289000 . . . . . . . . 33 D CO . 50253 4 108 . 1 . 1 33 33 ASP CA C 13 52.597000 . . . . . . . . 33 D CA . 50253 4 109 . 1 . 1 33 33 ASP CB C 13 39.949000 . . . . . . . . 33 D CB . 50253 4 110 . 1 . 1 33 33 ASP N N 15 116.943000 . . . . . . . . 33 D N . 50253 4 111 . 1 . 1 34 34 TYR H H 1 7.183000 . . . . . . . . 34 Y HN . 50253 4 112 . 1 . 1 34 34 TYR HA H 1 4.544000 . . . . . . . . 34 Y HA . 50253 4 113 . 1 . 1 34 34 TYR C C 13 173.784000 . . . . . . . . 34 Y CO . 50253 4 114 . 1 . 1 34 34 TYR CA C 13 57.470000 . . . . . . . . 34 Y CA . 50253 4 115 . 1 . 1 34 34 TYR CB C 13 37.917000 . . . . . . . . 34 Y CB . 50253 4 116 . 1 . 1 34 34 TYR N N 15 117.070000 . . . . . . . . 34 Y N . 50253 4 117 . 1 . 1 35 35 CYS H H 1 9.078000 . . . . . . . . 35 C HN . 50253 4 118 . 1 . 1 35 35 CYS HA H 1 4.470000 . . . . . . . . 35 C HA . 50253 4 119 . 1 . 1 35 35 CYS C C 13 172.533000 . . . . . . . . 35 C CO . 50253 4 120 . 1 . 1 35 35 CYS CA C 13 57.238000 . . . . . . . . 35 C CA . 50253 4 121 . 1 . 1 35 35 CYS CB C 13 30.945000 . . . . . . . . 35 C CB . 50253 4 122 . 1 . 1 35 35 CYS N N 15 120.515000 . . . . . . . . 35 C N . 50253 4 123 . 1 . 1 36 36 THR H H 1 8.128000 . . . . . . . . 36 T HN . 50253 4 124 . 1 . 1 36 36 THR HA H 1 5.910000 . . . . . . . . 36 T HA . 50253 4 125 . 1 . 1 36 36 THR C C 13 176.025000 . . . . . . . . 36 T CO . 50253 4 126 . 1 . 1 36 36 THR CA C 13 60.002000 . . . . . . . . 36 T CA . 50253 4 127 . 1 . 1 36 36 THR CB C 13 71.535000 . . . . . . . . 36 T CB . 50253 4 128 . 1 . 1 36 36 THR N N 15 112.961000 . . . . . . . . 36 T N . 50253 4 129 . 1 . 1 37 37 THR CA C 13 60.820000 . . . . . . . . 37 T CA . 50253 4 130 . 1 . 1 37 37 THR CB C 13 69.144000 . . . . . . . . 37 T CB . 50253 4 131 . 1 . 1 38 38 PRO HA H 1 4.218000 . . . . . . . . 38 P HA . 50253 4 132 . 1 . 1 38 38 PRO CA C 13 66.385000 . . . . . . . . 38 P CA . 50253 4 133 . 1 . 1 38 38 PRO CB C 13 32.212000 . . . . . . . . 38 P CB . 50253 4 134 . 1 . 1 39 39 GLY H H 1 11.089000 . . . . . . . . 39 G HN . 50253 4 135 . 1 . 1 39 39 GLY HA2 H 1 3.922500 . . . . . . . . 39 G HA . 50253 4 136 . 1 . 1 39 39 GLY HA3 H 1 3.922500 . . . . . . . . 39 G HA . 50253 4 137 . 1 . 1 39 39 GLY C C 13 175.871000 . . . . . . . . 39 G CO . 50253 4 138 . 1 . 1 39 39 GLY CA C 13 45.604000 . . . . . . . . 39 G CA . 50253 4 139 . 1 . 1 39 39 GLY N N 15 109.549000 . . . . . . . . 39 G N . 50253 4 140 . 1 . 1 40 40 GLY H H 1 8.307000 . . . . . . . . 40 G HN . 50253 4 141 . 1 . 1 40 40 GLY HA2 H 1 3.940000 . . . . . . . . 40 G HA . 50253 4 142 . 1 . 1 40 40 GLY HA3 H 1 3.940000 . . . . . . . . 40 G HA . 50253 4 143 . 1 . 1 40 40 GLY C C 13 174.333000 . . . . . . . . 40 G CO . 50253 4 144 . 1 . 1 40 40 GLY CA C 13 44.652000 . . . . . . . . 40 G CA . 50253 4 145 . 1 . 1 40 40 GLY N N 15 107.969000 . . . . . . . . 40 G N . 50253 4 146 . 1 . 1 41 41 THR H H 1 8.375000 . . . . . . . . 41 T HN . 50253 4 147 . 1 . 1 41 41 THR HA H 1 4.405000 . . . . . . . . 41 T HA . 50253 4 148 . 1 . 1 41 41 THR C C 13 173.272000 . . . . . . . . 41 T CO . 50253 4 149 . 1 . 1 41 41 THR CA C 13 66.087000 . . . . . . . . 41 T CA . 50253 4 150 . 1 . 1 41 41 THR CB C 13 67.323000 . . . . . . . . 41 T CB . 50253 4 151 . 1 . 1 41 41 THR N N 15 121.824000 . . . . . . . . 41 T N . 50253 4 152 . 1 . 1 42 42 LEU H H 1 8.844000 . . . . . . . . 42 L HN . 50253 4 153 . 1 . 1 42 42 LEU HA H 1 5.456000 . . . . . . . . 42 L HA . 50253 4 154 . 1 . 1 42 42 LEU C C 13 176.494000 . . . . . . . . 42 L CO . 50253 4 155 . 1 . 1 42 42 LEU CA C 13 54.097000 . . . . . . . . 42 L CA . 50253 4 156 . 1 . 1 42 42 LEU CB C 13 44.435000 . . . . . . . . 42 L CB . 50253 4 157 . 1 . 1 42 42 LEU N N 15 128.456000 . . . . . . . . 42 L N . 50253 4 158 . 1 . 1 43 43 PHE H H 1 9.266000 . . . . . . . . 43 F HN . 50253 4 159 . 1 . 1 43 43 PHE HA H 1 6.234000 . . . . . . . . 43 F HA . 50253 4 160 . 1 . 1 43 43 PHE C C 13 173.320000 . . . . . . . . 43 F CO . 50253 4 161 . 1 . 1 43 43 PHE CA C 13 56.245000 . . . . . . . . 43 F CA . 50253 4 162 . 1 . 1 43 43 PHE CB C 13 43.404000 . . . . . . . . 43 F CB . 50253 4 163 . 1 . 1 43 43 PHE N N 15 118.843000 . . . . . . . . 43 F N . 50253 4 164 . 1 . 1 44 44 SER H H 1 9.450000 . . . . . . . . 44 S HN . 50253 4 165 . 1 . 1 44 44 SER HA H 1 4.780000 . . . . . . . . 44 S HA . 50253 4 166 . 1 . 1 44 44 SER C C 13 172.658000 . . . . . . . . 44 S CO . 50253 4 167 . 1 . 1 44 44 SER CA C 13 57.470000 . . . . . . . . 44 S CA . 50253 4 168 . 1 . 1 44 44 SER CB C 13 65.517000 . . . . . . . . 44 S CB . 50253 4 169 . 1 . 1 44 44 SER N N 15 115.199000 . . . . . . . . 44 S N . 50253 4 170 . 1 . 1 45 45 THR H H 1 8.312000 . . . . . . . . 45 T HN . 50253 4 171 . 1 . 1 45 45 THR HA H 1 5.681000 . . . . . . . . 45 T HA . 50253 4 172 . 1 . 1 45 45 THR C C 13 175.564000 . . . . . . . . 45 T CO . 50253 4 173 . 1 . 1 45 45 THR CA C 13 60.690000 . . . . . . . . 45 T CA . 50253 4 174 . 1 . 1 45 45 THR CB C 13 71.100000 . . . . . . . . 45 T CB . 50253 4 175 . 1 . 1 45 45 THR N N 15 114.035000 . . . . . . . . 45 T N . 50253 4 176 . 1 . 1 46 46 THR CA C 13 60.886000 . . . . . . . . 46 T CA . 50253 4 177 . 1 . 1 46 46 THR CB C 13 68.986000 . . . . . . . . 46 T CB . 50253 4 178 . 1 . 1 47 47 PRO HA H 1 4.241000 . . . . . . . . 47 P HA . 50253 4 179 . 1 . 1 47 47 PRO CA C 13 66.436000 . . . . . . . . 47 P CA . 50253 4 180 . 1 . 1 47 47 PRO CB C 13 32.215000 . . . . . . . . 47 P CB . 50253 4 181 . 1 . 1 48 48 GLY H H 1 11.182000 . . . . . . . . 48 G HN . 50253 4 182 . 1 . 1 48 48 GLY HA2 H 1 3.922500 . . . . . . . . 48 G HA . 50253 4 183 . 1 . 1 48 48 GLY HA3 H 1 3.922500 . . . . . . . . 48 G HA . 50253 4 184 . 1 . 1 48 48 GLY C C 13 175.871000 . . . . . . . . 48 G CO . 50253 4 185 . 1 . 1 48 48 GLY CA C 13 45.594000 . . . . . . . . 48 G CA . 50253 4 186 . 1 . 1 48 48 GLY N N 15 109.653000 . . . . . . . . 48 G N . 50253 4 187 . 1 . 1 49 49 GLY H H 1 8.307000 . . . . . . . . 49 G HN . 50253 4 188 . 1 . 1 49 49 GLY HA2 H 1 3.940000 . . . . . . . . 49 G HA . 50253 4 189 . 1 . 1 49 49 GLY HA3 H 1 3.940000 . . . . . . . . 49 G HA . 50253 4 190 . 1 . 1 49 49 GLY C C 13 174.580000 . . . . . . . . 49 G CO . 50253 4 191 . 1 . 1 49 49 GLY CA C 13 44.652000 . . . . . . . . 49 G CA . 50253 4 192 . 1 . 1 49 49 GLY N N 15 107.969000 . . . . . . . . 49 G N . 50253 4 193 . 1 . 1 50 50 THR H H 1 8.378000 . . . . . . . . 50 T HN . 50253 4 194 . 1 . 1 50 50 THR HA H 1 4.191000 . . . . . . . . 50 T HA . 50253 4 195 . 1 . 1 50 50 THR C C 13 173.140000 . . . . . . . . 50 T CO . 50253 4 196 . 1 . 1 50 50 THR CA C 13 65.596000 . . . . . . . . 50 T CA . 50253 4 197 . 1 . 1 50 50 THR CB C 13 67.160000 . . . . . . . . 50 T CB . 50253 4 198 . 1 . 1 50 50 THR N N 15 121.900000 . . . . . . . . 50 T N . 50253 4 199 . 1 . 1 51 51 ARG H H 1 8.513000 . . . . . . . . 51 R HN . 50253 4 200 . 1 . 1 51 51 ARG HA H 1 4.948000 . . . . . . . . 51 R HA . 50253 4 201 . 1 . 1 51 51 ARG C C 13 174.278000 . . . . . . . . 51 R CO . 50253 4 202 . 1 . 1 51 51 ARG CA C 13 55.692000 . . . . . . . . 51 R CA . 50253 4 203 . 1 . 1 51 51 ARG CB C 13 31.557000 . . . . . . . . 51 R CB . 50253 4 204 . 1 . 1 51 51 ARG N N 15 126.847000 . . . . . . . . 51 R N . 50253 4 205 . 1 . 1 52 52 ILE H H 1 9.143000 . . . . . . . . 52 I HN . 50253 4 206 . 1 . 1 52 52 ILE HA H 1 4.504000 . . . . . . . . 52 I HA . 50253 4 207 . 1 . 1 52 52 ILE C C 13 175.038000 . . . . . . . . 52 I CO . 50253 4 208 . 1 . 1 52 52 ILE CA C 13 58.945000 . . . . . . . . 52 I CA . 50253 4 209 . 1 . 1 52 52 ILE CB C 13 38.269000 . . . . . . . . 52 I CB . 50253 4 210 . 1 . 1 52 52 ILE N N 15 128.341000 . . . . . . . . 52 I N . 50253 4 211 . 1 . 1 53 53 ILE H H 1 8.578000 . . . . . . . . 53 I HN . 50253 4 212 . 1 . 1 53 53 ILE HA H 1 4.519000 . . . . . . . . 53 I HA . 50253 4 213 . 1 . 1 53 53 ILE C C 13 175.519000 . . . . . . . . 53 I CO . 50253 4 214 . 1 . 1 53 53 ILE CA C 13 59.248000 . . . . . . . . 53 I CA . 50253 4 215 . 1 . 1 53 53 ILE CB C 13 38.814000 . . . . . . . . 53 I CB . 50253 4 216 . 1 . 1 53 53 ILE N N 15 125.264000 . . . . . . . . 53 I N . 50253 4 217 . 1 . 1 54 54 TYR H H 1 8.127000 . . . . . . . . 54 Y HN . 50253 4 218 . 1 . 1 54 54 TYR HA H 1 4.948000 . . . . . . . . 54 Y HA . 50253 4 219 . 1 . 1 54 54 TYR C C 13 175.043000 . . . . . . . . 54 Y CO . 50253 4 220 . 1 . 1 54 54 TYR CA C 13 57.200000 . . . . . . . . 54 Y CA . 50253 4 221 . 1 . 1 54 54 TYR CB C 13 38.814000 . . . . . . . . 54 Y CB . 50253 4 222 . 1 . 1 54 54 TYR N N 15 124.859000 . . . . . . . . 54 Y N . 50253 4 223 . 1 . 1 55 55 ASP H H 1 8.743000 . . . . . . . . 55 D HN . 50253 4 224 . 1 . 1 55 55 ASP HA H 1 4.674000 . . . . . . . . 55 D HA . 50253 4 225 . 1 . 1 55 55 ASP C C 13 176.390000 . . . . . . . . 55 D CO . 50253 4 226 . 1 . 1 55 55 ASP CA C 13 53.288000 . . . . . . . . 55 D CA . 50253 4 227 . 1 . 1 55 55 ASP CB C 13 41.972000 . . . . . . . . 55 D CB . 50253 4 228 . 1 . 1 55 55 ASP N N 15 125.263000 . . . . . . . . 55 D N . 50253 4 229 . 1 . 1 56 56 ARG H H 1 8.456000 . . . . . . . . 56 R HN . 50253 4 230 . 1 . 1 56 56 ARG HA H 1 4.263000 . . . . . . . . 56 R HA . 50253 4 231 . 1 . 1 56 56 ARG C C 13 176.330000 . . . . . . . . 56 R CO . 50253 4 232 . 1 . 1 56 56 ARG CA C 13 56.323000 . . . . . . . . 56 R CA . 50253 4 233 . 1 . 1 56 56 ARG CB C 13 30.112000 . . . . . . . . 56 R CB . 50253 4 234 . 1 . 1 56 56 ARG N N 15 124.493000 . . . . . . . . 56 R N . 50253 4 235 . 1 . 1 57 57 LYS H H 1 8.545000 . . . . . . . . 57 K HN . 50253 4 236 . 1 . 1 57 57 LYS HA H 1 4.125000 . . . . . . . . 57 K HA . 50253 4 237 . 1 . 1 57 57 LYS C C 13 176.789000 . . . . . . . . 57 K CO . 50253 4 238 . 1 . 1 57 57 LYS CA C 13 57.277000 . . . . . . . . 57 K CA . 50253 4 239 . 1 . 1 57 57 LYS CB C 13 32.037000 . . . . . . . . 57 K CB . 50253 4 240 . 1 . 1 57 57 LYS N N 15 124.110000 . . . . . . . . 57 K N . 50253 4 241 . 1 . 1 58 58 PHE H H 1 7.723000 . . . . . . . . 58 F HN . 50253 4 242 . 1 . 1 58 58 PHE HA H 1 4.578000 . . . . . . . . 58 F HA . 50253 4 243 . 1 . 1 58 58 PHE C C 13 175.618000 . . . . . . . . 58 F CO . 50253 4 244 . 1 . 1 58 58 PHE CA C 13 57.239000 . . . . . . . . 58 F CA . 50253 4 245 . 1 . 1 58 58 PHE CB C 13 38.738000 . . . . . . . . 58 F CB . 50253 4 246 . 1 . 1 58 58 PHE N N 15 116.291000 . . . . . . . . 58 F N . 50253 4 247 . 1 . 1 59 59 LEU H H 1 7.710000 . . . . . . . . 59 L HN . 50253 4 248 . 1 . 1 59 59 LEU HA H 1 4.210000 . . . . . . . . 59 L HA . 50253 4 249 . 1 . 1 59 59 LEU C C 13 177.285000 . . . . . . . . 59 L CO . 50253 4 250 . 1 . 1 59 59 LEU CA C 13 55.403000 . . . . . . . . 59 L CA . 50253 4 251 . 1 . 1 59 59 LEU CB C 13 42.182000 . . . . . . . . 59 L CB . 50253 4 252 . 1 . 1 59 59 LEU N N 15 121.088000 . . . . . . . . 59 L N . 50253 4 253 . 1 . 1 60 60 LEU H H 1 7.987000 . . . . . . . . 60 L HN . 50253 4 254 . 1 . 1 60 60 LEU HA H 1 4.265000 . . . . . . . . 60 L HA . 50253 4 255 . 1 . 1 60 60 LEU C C 13 177.075000 . . . . . . . . 60 L CO . 50253 4 256 . 1 . 1 60 60 LEU CA C 13 55.362000 . . . . . . . . 60 L CA . 50253 4 257 . 1 . 1 60 60 LEU CB C 13 42.368000 . . . . . . . . 60 L CB . 50253 4 258 . 1 . 1 60 60 LEU N N 15 121.764000 . . . . . . . . 60 L N . 50253 4 259 . 1 . 1 61 61 ASP H H 1 8.197000 . . . . . . . . 61 D HN . 50253 4 260 . 1 . 1 61 61 ASP CA C 13 54.321000 . . . . . . . . 61 D CA . 50253 4 261 . 1 . 1 61 61 ASP CB C 13 41.190000 . . . . . . . . 61 D CB . 50253 4 262 . 1 . 1 61 61 ASP N N 15 120.870000 . . . . . . . . 61 D N . 50253 4 263 . 1 . 1 62 62 ARG HA H 1 4.250000 . . . . . . . . 62 R HA . 50253 4 264 . 1 . 1 62 62 ARG C C 13 176.702000 . . . . . . . . 62 R CO . 50253 4 265 . 1 . 1 62 62 ARG CA C 13 56.691000 . . . . . . . . 62 R CA . 50253 4 266 . 1 . 1 62 62 ARG CB C 13 30.428000 . . . . . . . . 62 R CB . 50253 4 267 . 1 . 1 63 63 ARG H H 1 8.324000 . . . . . . . . 63 R HN . 50253 4 268 . 1 . 1 63 63 ARG CA C 13 56.691000 . . . . . . . . 63 R CA . 50253 4 269 . 1 . 1 63 63 ARG CB C 13 30.428000 . . . . . . . . 63 R CB . 50253 4 270 . 1 . 1 63 63 ARG N N 15 120.843000 . . . . . . . . 63 R N . 50253 4 271 . 1 . 1 64 64 ASN HA H 1 4.666000 . . . . . . . . 64 N HA . 50253 4 272 . 1 . 1 64 64 ASN CA C 13 52.956000 . . . . . . . . 64 N CA . 50253 4 273 . 1 . 1 64 64 ASN CB C 13 38.998000 . . . . . . . . 64 N CB . 50253 4 274 . 1 . 1 66 66 PRO HA H 1 4.380000 . . . . . . . . 66 P HA . 50253 4 275 . 1 . 1 66 66 PRO CA C 13 63.064000 . . . . . . . . 66 P CA . 50253 4 276 . 1 . 1 66 66 PRO CB C 13 31.880000 . . . . . . . . 66 P CB . 50253 4 277 . 1 . 1 67 67 MET H H 1 8.439000 . . . . . . . . 67 M HN . 50253 4 278 . 1 . 1 67 67 MET HA H 1 4.389000 . . . . . . . . 67 M HA . 50253 4 279 . 1 . 1 67 67 MET CA C 13 55.311000 . . . . . . . . 67 M CA . 50253 4 280 . 1 . 1 67 67 MET CB C 13 33.039000 . . . . . . . . 67 M CB . 50253 4 281 . 1 . 1 67 67 MET N N 15 120.539000 . . . . . . . . 67 M N . 50253 4 282 . 1 . 1 68 68 ALA H H 1 8.345000 . . . . . . . . 68 A HN . 50253 4 283 . 1 . 1 68 68 ALA HA H 1 4.301000 . . . . . . . . 68 A HA . 50253 4 284 . 1 . 1 68 68 ALA C C 13 177.133000 . . . . . . . . 68 A CO . 50253 4 285 . 1 . 1 68 68 ALA CA C 13 52.302000 . . . . . . . . 68 A CA . 50253 4 286 . 1 . 1 68 68 ALA CB C 13 19.427000 . . . . . . . . 68 A CB . 50253 4 287 . 1 . 1 68 68 ALA N N 15 125.733000 . . . . . . . . 68 A N . 50253 4 288 . 1 . 1 69 69 GLN H H 1 8.278000 . . . . . . . . 69 Q HN . 50253 4 289 . 1 . 1 69 69 GLN HA H 1 4.324000 . . . . . . . . 69 Q HA . 50253 4 290 . 1 . 1 69 69 GLN C C 13 175.452000 . . . . . . . . 69 Q CO . 50253 4 291 . 1 . 1 69 69 GLN CA C 13 55.411000 . . . . . . . . 69 Q CA . 50253 4 292 . 1 . 1 69 69 GLN CB C 13 30.309000 . . . . . . . . 69 Q CB . 50253 4 293 . 1 . 1 69 69 GLN N N 15 120.089000 . . . . . . . . 69 Q N . 50253 4 294 . 1 . 1 70 70 THR CA C 13 61.291000 . . . . . . . . 70 T CA . 50253 4 295 . 1 . 1 70 70 THR CB C 13 72.469000 . . . . . . . . 70 T CB . 50253 4 296 . 1 . 1 72 72 PRO HA H 1 4.390000 . . . . . . . . 72 P HA . 50253 4 297 . 1 . 1 72 72 PRO CA C 13 62.829000 . . . . . . . . 72 P CA . 50253 4 298 . 1 . 1 72 72 PRO CB C 13 32.095000 . . . . . . . . 72 P CB . 50253 4 299 . 1 . 1 73 73 CYS H H 1 8.369000 . . . . . . . . 73 C HN . 50253 4 300 . 1 . 1 73 73 CYS CA C 13 58.360000 . . . . . . . . 73 C CA . 50253 4 301 . 1 . 1 73 73 CYS CB C 13 28.126000 . . . . . . . . 73 C CB . 50253 4 302 . 1 . 1 73 73 CYS N N 15 119.328000 . . . . . . . . 73 C N . 50253 4 303 . 1 . 1 76 76 PRO HA H 1 4.362000 . . . . . . . . 76 P HA . 50253 4 304 . 1 . 1 76 76 PRO CA C 13 62.973000 . . . . . . . . 76 P CA . 50253 4 305 . 1 . 1 76 76 PRO CB C 13 32.107000 . . . . . . . . 76 P CB . 50253 4 306 . 1 . 1 77 77 ASN H H 1 8.464000 . . . . . . . . 77 N HN . 50253 4 307 . 1 . 1 77 77 ASN CA C 13 53.128000 . . . . . . . . 77 N CA . 50253 4 308 . 1 . 1 77 77 ASN CB C 13 38.913000 . . . . . . . . 77 N CB . 50253 4 309 . 1 . 1 77 77 ASN N N 15 118.722000 . . . . . . . . 77 N N . 50253 4 310 . 1 . 1 79 79 PRO HA H 1 4.361000 . . . . . . . . 79 P HA . 50253 4 311 . 1 . 1 79 79 PRO CA C 13 63.445000 . . . . . . . . 79 P CA . 50253 4 312 . 1 . 1 79 79 PRO CB C 13 32.165000 . . . . . . . . 79 P CB . 50253 4 313 . 1 . 1 80 80 GLY H H 1 8.538000 . . . . . . . . 80 G HN . 50253 4 314 . 1 . 1 80 80 GLY HA2 H 1 3.929000 . . . . . . . . 80 G HA . 50253 4 315 . 1 . 1 80 80 GLY HA3 H 1 3.929000 . . . . . . . . 80 G HA . 50253 4 316 . 1 . 1 80 80 GLY C C 13 174.021000 . . . . . . . . 80 G CO . 50253 4 317 . 1 . 1 80 80 GLY CA C 13 45.228000 . . . . . . . . 80 G CA . 50253 4 318 . 1 . 1 80 80 GLY N N 15 109.838000 . . . . . . . . 80 G N . 50253 4 319 . 1 . 1 81 81 VAL H H 1 8.002000 . . . . . . . . 81 V HN . 50253 4 320 . 1 . 1 81 81 VAL CA C 13 62.319000 . . . . . . . . 81 V CA . 50253 4 321 . 1 . 1 81 81 VAL CB C 13 32.995000 . . . . . . . . 81 V CB . 50253 4 322 . 1 . 1 81 81 VAL N N 15 119.747000 . . . . . . . . 81 V N . 50253 4 323 . 1 . 1 82 82 THR HA H 1 4.355000 . . . . . . . . 82 T HA . 50253 4 324 . 1 . 1 82 82 THR C C 13 174.196000 . . . . . . . . 82 T CO . 50253 4 325 . 1 . 1 82 82 THR CA C 13 61.639000 . . . . . . . . 82 T CA . 50253 4 326 . 1 . 1 82 82 THR CB C 13 70.090000 . . . . . . . . 82 T CB . 50253 4 327 . 1 . 1 83 83 SER CA C 13 55.767000 . . . . . . . . 83 S CA . 50253 4 328 . 1 . 1 83 83 SER CB C 13 64.940000 . . . . . . . . 83 S CB . 50253 4 329 . 1 . 1 84 84 PRO HA H 1 4.357000 . . . . . . . . 84 P HA . 50253 4 330 . 1 . 1 84 84 PRO CA C 13 64.127000 . . . . . . . . 84 P CA . 50253 4 331 . 1 . 1 84 84 PRO CB C 13 32.098000 . . . . . . . . 84 P CB . 50253 4 332 . 1 . 1 85 85 GLY H H 1 8.565000 . . . . . . . . 85 G HN . 50253 4 333 . 1 . 1 85 85 GLY HA2 H 1 3.945000 . . . . . . . . 85 G HA . 50253 4 334 . 1 . 1 85 85 GLY HA3 H 1 3.945000 . . . . . . . . 85 G HA . 50253 4 335 . 1 . 1 85 85 GLY C C 13 174.615000 . . . . . . . . 85 G CO . 50253 4 336 . 1 . 1 85 85 GLY CA C 13 45.598000 . . . . . . . . 85 G CA . 50253 4 337 . 1 . 1 85 85 GLY N N 15 108.606000 . . . . . . . . 85 G N . 50253 4 338 . 1 . 1 86 86 THR H H 1 7.953000 . . . . . . . . 86 T HN . 50253 4 339 . 1 . 1 86 86 THR CA C 13 62.490000 . . . . . . . . 86 T CA . 50253 4 340 . 1 . 1 86 86 THR CB C 13 69.676000 . . . . . . . . 86 T CB . 50253 4 341 . 1 . 1 86 86 THR N N 15 115.284000 . . . . . . . . 86 T N . 50253 4 342 . 1 . 1 88 88 ILE HA H 1 4.085000 . . . . . . . . 88 I HA . 50253 4 343 . 1 . 1 88 88 ILE C C 13 176.306000 . . . . . . . . 88 I CO . 50253 4 344 . 1 . 1 88 88 ILE CA C 13 61.038000 . . . . . . . . 88 I CA . 50253 4 345 . 1 . 1 88 88 ILE CB C 13 38.533000 . . . . . . . . 88 I CB . 50253 4 346 . 1 . 1 89 89 GLU H H 1 8.485000 . . . . . . . . 89 E HN . 50253 4 347 . 1 . 1 89 89 GLU CA C 13 56.581000 . . . . . . . . 89 E CA . 50253 4 348 . 1 . 1 89 89 GLU CB C 13 30.449000 . . . . . . . . 89 E CB . 50253 4 349 . 1 . 1 89 89 GLU N N 15 125.521000 . . . . . . . . 89 E N . 50253 4 350 . 1 . 1 90 90 ASP HA H 1 4.563000 . . . . . . . . 90 D HA . 50253 4 351 . 1 . 1 90 90 ASP C C 13 176.444000 . . . . . . . . 90 D CO . 50253 4 352 . 1 . 1 90 90 ASP CA C 13 54.507000 . . . . . . . . 90 D CA . 50253 4 353 . 1 . 1 90 90 ASP CB C 13 41.219000 . . . . . . . . 90 D CB . 50253 4 354 . 1 . 1 91 91 SER H H 1 8.266000 . . . . . . . . 91 S HN . 50253 4 355 . 1 . 1 91 91 SER CA C 13 58.623000 . . . . . . . . 91 S CA . 50253 4 356 . 1 . 1 91 91 SER CB C 13 63.560000 . . . . . . . . 91 S CB . 50253 4 357 . 1 . 1 91 91 SER N N 15 116.391000 . . . . . . . . 91 S N . 50253 4 358 . 1 . 1 92 92 LYS HA H 1 4.307000 . . . . . . . . 92 K HA . 50253 4 359 . 1 . 1 92 92 LYS C C 13 176.517000 . . . . . . . . 92 K CO . 50253 4 360 . 1 . 1 92 92 LYS CA C 13 56.366000 . . . . . . . . 92 K CA . 50253 4 361 . 1 . 1 92 92 LYS CB C 13 32.779000 . . . . . . . . 92 K CB . 50253 4 362 . 1 . 1 93 93 VAL H H 1 8.001000 . . . . . . . . 93 V HN . 50253 4 363 . 1 . 1 93 93 VAL HA H 1 4.025000 . . . . . . . . 93 V HA . 50253 4 364 . 1 . 1 93 93 VAL C C 13 176.070000 . . . . . . . . 93 V CO . 50253 4 365 . 1 . 1 93 93 VAL CA C 13 62.410000 . . . . . . . . 93 V CA . 50253 4 366 . 1 . 1 93 93 VAL CB C 13 32.779000 . . . . . . . . 93 V CB . 50253 4 367 . 1 . 1 93 93 VAL N N 15 121.206000 . . . . . . . . 93 V N . 50253 4 368 . 1 . 1 94 94 GLU H H 1 8.471000 . . . . . . . . 94 E HN . 50253 4 369 . 1 . 1 94 94 GLU HA H 1 4.299000 . . . . . . . . 94 E HA . 50253 4 370 . 1 . 1 94 94 GLU C C 13 176.496000 . . . . . . . . 94 E CO . 50253 4 371 . 1 . 1 94 94 GLU CA C 13 56.357000 . . . . . . . . 94 E CA . 50253 4 372 . 1 . 1 94 94 GLU CB C 13 30.366000 . . . . . . . . 94 E CB . 50253 4 373 . 1 . 1 94 94 GLU N N 15 125.212000 . . . . . . . . 94 E N . 50253 4 374 . 1 . 1 95 95 VAL H H 1 8.228000 . . . . . . . . 95 V HN . 50253 4 375 . 1 . 1 95 95 VAL HA H 1 4.040000 . . . . . . . . 95 V HA . 50253 4 376 . 1 . 1 95 95 VAL C C 13 175.924000 . . . . . . . . 95 V CO . 50253 4 377 . 1 . 1 95 95 VAL CA C 13 62.520000 . . . . . . . . 95 V CA . 50253 4 378 . 1 . 1 95 95 VAL CB C 13 32.726000 . . . . . . . . 95 V CB . 50253 4 379 . 1 . 1 95 95 VAL N N 15 121.590000 . . . . . . . . 95 V N . 50253 4 380 . 1 . 1 96 96 ASN H H 1 8.512000 . . . . . . . . 96 N HN . 50253 4 381 . 1 . 1 96 96 ASN CA C 13 53.216000 . . . . . . . . 96 N CA . 50253 4 382 . 1 . 1 96 96 ASN CB C 13 38.941000 . . . . . . . . 96 N CB . 50253 4 383 . 1 . 1 96 96 ASN N N 15 121.904000 . . . . . . . . 96 N N . 50253 4 384 . 1 . 1 97 97 ASN HA H 1 4.648000 . . . . . . . . 97 N HA . 50253 4 385 . 1 . 1 97 97 ASN CA C 13 53.411000 . . . . . . . . 97 N CA . 50253 4 386 . 1 . 1 97 97 ASN CB C 13 38.653000 . . . . . . . . 97 N CB . 50253 4 387 . 1 . 1 98 98 LEU H H 1 8.117000 . . . . . . . . 98 L HN . 50253 4 388 . 1 . 1 98 98 LEU CA C 13 55.570000 . . . . . . . . 98 L CA . 50253 4 389 . 1 . 1 98 98 LEU CB C 13 42.117000 . . . . . . . . 98 L CB . 50253 4 390 . 1 . 1 98 98 LEU N N 15 121.729000 . . . . . . . . 98 L N . 50253 4 391 . 1 . 1 99 99 ASN HA H 1 4.624000 . . . . . . . . 99 N HA . 50253 4 392 . 1 . 1 99 99 ASN CA C 13 53.423000 . . . . . . . . 99 N CA . 50253 4 393 . 1 . 1 99 99 ASN CB C 13 38.654000 . . . . . . . . 99 N CB . 50253 4 394 . 1 . 1 100 100 ASN H H 1 8.215000 . . . . . . . . 100 N HN . 50253 4 395 . 1 . 1 100 100 ASN CA C 13 53.423000 . . . . . . . . 100 N CA . 50253 4 396 . 1 . 1 100 100 ASN CB C 13 38.654000 . . . . . . . . 100 N CB . 50253 4 397 . 1 . 1 100 100 ASN N N 15 118.492000 . . . . . . . . 100 N N . 50253 4 398 . 1 . 1 107 107 LYS H H 1 8.404000 . . . . . . . . 107 K HN . 50253 4 399 . 1 . 1 107 107 LYS N N 15 122.158000 . . . . . . . . 107 K N . 50253 4 400 . 1 . 1 109 109 ALA HA H 1 4.319000 . . . . . . . . 109 A HA . 50253 4 401 . 1 . 1 109 109 ALA C C 13 177.431000 . . . . . . . . 109 A CO . 50253 4 402 . 1 . 1 109 109 ALA CA C 13 52.253000 . . . . . . . . 109 A CA . 50253 4 403 . 1 . 1 109 109 ALA CB C 13 19.496000 . . . . . . . . 109 A CB . 50253 4 404 . 1 . 1 110 110 VAL H H 1 8.185000 . . . . . . . . 110 V HN . 50253 4 405 . 1 . 1 110 110 VAL HA H 1 4.075000 . . . . . . . . 110 V HA . 50253 4 406 . 1 . 1 110 110 VAL C C 13 176.718000 . . . . . . . . 110 V CO . 50253 4 407 . 1 . 1 110 110 VAL CA C 13 62.393000 . . . . . . . . 110 V CA . 50253 4 408 . 1 . 1 110 110 VAL CB C 13 32.848000 . . . . . . . . 110 V CB . 50253 4 409 . 1 . 1 110 110 VAL N N 15 119.338000 . . . . . . . . 110 V N . 50253 4 410 . 1 . 1 111 111 GLY H H 1 8.471000 . . . . . . . . 111 G HN . 50253 4 411 . 1 . 1 111 111 GLY C C 13 174.072000 . . . . . . . . 111 G CO . 50253 4 412 . 1 . 1 111 111 GLY CA C 13 45.184000 . . . . . . . . 111 G CA . 50253 4 413 . 1 . 1 111 111 GLY N N 15 112.396000 . . . . . . . . 111 G N . 50253 4 414 . 1 . 1 112 112 ASP H H 1 8.262000 . . . . . . . . 112 D HN . 50253 4 415 . 1 . 1 112 112 ASP HA H 1 4.565000 . . . . . . . . 112 D HA . 50253 4 416 . 1 . 1 112 112 ASP C C 13 176.235000 . . . . . . . . 112 D CO . 50253 4 417 . 1 . 1 112 112 ASP CA C 13 54.563000 . . . . . . . . 112 D CA . 50253 4 418 . 1 . 1 112 112 ASP CB C 13 41.163000 . . . . . . . . 112 D CB . 50253 4 419 . 1 . 1 112 112 ASP N N 15 120.901000 . . . . . . . . 112 D N . 50253 4 420 . 1 . 1 113 113 ASP H H 1 8.340000 . . . . . . . . 113 D HN . 50253 4 421 . 1 . 1 113 113 ASP HA H 1 4.508000 . . . . . . . . 113 D HA . 50253 4 422 . 1 . 1 113 113 ASP C C 13 176.255000 . . . . . . . . 113 D CO . 50253 4 423 . 1 . 1 113 113 ASP CA C 13 54.530000 . . . . . . . . 113 D CA . 50253 4 424 . 1 . 1 113 113 ASP CB C 13 41.039000 . . . . . . . . 113 D CB . 50253 4 425 . 1 . 1 113 113 ASP N N 15 120.287000 . . . . . . . . 113 D N . 50253 4 426 . 1 . 1 114 114 ALA H H 1 8.112000 . . . . . . . . 114 A HN . 50253 4 427 . 1 . 1 114 114 ALA HA H 1 4.189000 . . . . . . . . 114 A HA . 50253 4 428 . 1 . 1 114 114 ALA C C 13 177.731000 . . . . . . . . 114 A CO . 50253 4 429 . 1 . 1 114 114 ALA CA C 13 52.822000 . . . . . . . . 114 A CA . 50253 4 430 . 1 . 1 114 114 ALA CB C 13 19.127000 . . . . . . . . 114 A CB . 50253 4 431 . 1 . 1 114 114 ALA N N 15 123.881000 . . . . . . . . 114 A N . 50253 4 432 . 1 . 1 115 115 GLN H H 1 8.162000 . . . . . . . . 115 Q HN . 50253 4 433 . 1 . 1 115 115 GLN HA H 1 4.191000 . . . . . . . . 115 Q HA . 50253 4 434 . 1 . 1 115 115 GLN C C 13 175.683000 . . . . . . . . 115 Q CO . 50253 4 435 . 1 . 1 115 115 GLN CA C 13 55.882000 . . . . . . . . 115 Q CA . 50253 4 436 . 1 . 1 115 115 GLN CB C 13 29.328000 . . . . . . . . 115 Q CB . 50253 4 437 . 1 . 1 115 115 GLN N N 15 118.596000 . . . . . . . . 115 Q N . 50253 4 438 . 1 . 1 116 116 PHE H H 1 8.073000 . . . . . . . . 116 F HN . 50253 4 439 . 1 . 1 116 116 PHE HA H 1 4.606000 . . . . . . . . 116 F HA . 50253 4 440 . 1 . 1 116 116 PHE C C 13 175.550000 . . . . . . . . 116 F CO . 50253 4 441 . 1 . 1 116 116 PHE CA C 13 57.571000 . . . . . . . . 116 F CA . 50253 4 442 . 1 . 1 116 116 PHE CB C 13 39.651000 . . . . . . . . 116 F CB . 50253 4 443 . 1 . 1 116 116 PHE N N 15 120.656000 . . . . . . . . 116 F N . 50253 4 444 . 1 . 1 117 117 GLU H H 1 8.260000 . . . . . . . . 117 E HN . 50253 4 445 . 1 . 1 117 117 GLU C C 13 175.922000 . . . . . . . . 117 E CO . 50253 4 446 . 1 . 1 117 117 GLU CA C 13 56.405000 . . . . . . . . 117 E CA . 50253 4 447 . 1 . 1 117 117 GLU CB C 13 30.364000 . . . . . . . . 117 E CB . 50253 4 448 . 1 . 1 117 117 GLU N N 15 122.194000 . . . . . . . . 117 E N . 50253 4 449 . 1 . 1 118 118 MET H H 1 8.252000 . . . . . . . . 118 M HN . 50253 4 450 . 1 . 1 118 118 MET HA H 1 4.433000 . . . . . . . . 118 M HA . 50253 4 451 . 1 . 1 118 118 MET CA C 13 55.313000 . . . . . . . . 118 M CA . 50253 4 452 . 1 . 1 118 118 MET CB C 13 33.393000 . . . . . . . . 118 M CB . 50253 4 453 . 1 . 1 118 118 MET N N 15 120.972000 . . . . . . . . 118 M N . 50253 4 454 . 1 . 1 119 119 ASP HA H 1 4.622000 . . . . . . . . 119 D HA . 50253 4 455 . 1 . 1 119 119 ASP C C 13 174.967000 . . . . . . . . 119 D CO . 50253 4 456 . 1 . 1 119 119 ASP CA C 13 54.465000 . . . . . . . . 119 D CA . 50253 4 457 . 1 . 1 119 119 ASP CB C 13 40.875000 . . . . . . . . 119 D CB . 50253 4 458 . 1 . 1 120 120 ILE H H 1 7.585000 . . . . . . . . 120 I HN . 50253 4 459 . 1 . 1 120 120 ILE CA C 13 62.720000 . . . . . . . . 120 I CA . 50253 4 460 . 1 . 1 120 120 ILE CB C 13 39.846000 . . . . . . . . 120 I CB . 50253 4 461 . 1 . 1 120 120 ILE N N 15 124.697000 . . . . . . . . 120 I N . 50253 4 stop_ save_ save_assigned_chemical_shifts_5 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_5 _Assigned_chem_shift_list.Entry_ID 50253 _Assigned_chem_shift_list.ID 5 _Assigned_chem_shift_list.Name 2phos_pH7.4 _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' . . . 50253 5 2 '3D HNCO' . . . 50253 5 3 '3D CBCA(CO)NH' . . . 50253 5 4 '3D HNCACB' . . . 50253 5 5 '3D HBHA(CO)NH' . . . 50253 5 6 '3D 1H-15N NOESY' . . . 50253 5 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 . . 50253 5 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 5 5 ALA HA H 1 4.306000 . . . . . . . . 5 A HA . 50253 5 2 . 1 . 1 5 5 ALA C C 13 178.274000 . . . . . . . . 5 A CO . 50253 5 3 . 1 . 1 5 5 ALA CB C 13 19.152000 . . . . . . . . 5 A CB . 50253 5 4 . 1 . 1 6 6 GLY H H 1 8.366000 . . . . . . . . 6 G HN . 50253 5 5 . 1 . 1 6 6 GLY HA2 H 1 3.972000 . . . . . . . . 6 G HA . 50253 5 6 . 1 . 1 6 6 GLY HA3 H 1 3.972000 . . . . . . . . 6 G HA . 50253 5 7 . 1 . 1 6 6 GLY C C 13 174.405000 . . . . . . . . 6 G CO . 50253 5 8 . 1 . 1 6 6 GLY N N 15 108.139000 . . . . . . . . 6 G N . 50253 5 9 . 1 . 1 7 7 SER H H 1 8.286000 . . . . . . . . 7 S HN . 50253 5 10 . 1 . 1 7 7 SER HA H 1 4.432000 . . . . . . . . 7 S HA . 50253 5 11 . 1 . 1 7 7 SER C C 13 175.156000 . . . . . . . . 7 S CO . 50253 5 12 . 1 . 1 7 7 SER CB C 13 63.694000 . . . . . . . . 7 S CB . 50253 5 13 . 1 . 1 7 7 SER N N 15 115.682000 . . . . . . . . 7 S N . 50253 5 14 . 1 . 1 8 8 GLY H H 1 8.511000 . . . . . . . . 8 G HN . 50253 5 15 . 1 . 1 8 8 GLY N N 15 110.705000 . . . . . . . . 8 G N . 50253 5 16 . 1 . 1 11 11 PRO HA H 1 4.401000 . . . . . . . . 11 P HA . 50253 5 17 . 1 . 1 11 11 PRO CB C 13 32.171000 . . . . . . . . 11 P CB . 50253 5 18 . 1 . 1 12 12 SER H H 1 8.536000 . . . . . . . . 12 S HN . 50253 5 19 . 1 . 1 12 12 SER CB C 13 63.709000 . . . . . . . . 12 S CB . 50253 5 20 . 1 . 1 12 12 SER N N 15 116.228000 . . . . . . . . 12 S N . 50253 5 21 . 1 . 1 13 13 GLN HA H 1 4.356000 . . . . . . . . 13 Q HA . 50253 5 22 . 1 . 1 13 13 GLN C C 13 176.042000 . . . . . . . . 13 Q CO . 50253 5 23 . 1 . 1 14 14 SER H H 1 8.365000 . . . . . . . . 14 S HN . 50253 5 24 . 1 . 1 14 14 SER N N 15 117.093000 . . . . . . . . 14 S N . 50253 5 25 . 1 . 1 18 18 PRO HA H 1 4.444000 . . . . . . . . 18 P HA . 50253 5 26 . 1 . 1 18 18 PRO CB C 13 32.013000 . . . . . . . . 18 P CB . 50253 5 27 . 1 . 1 19 19 THR H H 1 8.143000 . . . . . . . . 19 T HN . 50253 5 28 . 1 . 1 19 19 THR HA H 1 5.343000 . . . . . . . . 19 T HA . 50253 5 29 . 1 . 1 19 19 THR C C 13 174.091000 . . . . . . . . 19 T CO . 50253 5 30 . 1 . 1 19 19 THR CA C 13 60.726000 . . . . . . . . 19 T CA . 50253 5 31 . 1 . 1 19 19 THR CB C 13 72.277000 . . . . . . . . 19 T CB . 50253 5 32 . 1 . 1 19 19 THR N N 15 115.242000 . . . . . . . . 19 T N . 50253 5 33 . 1 . 1 20 20 ARG H H 1 8.774000 . . . . . . . . 20 R HN . 50253 5 34 . 1 . 1 20 20 ARG HA H 1 4.565000 . . . . . . . . 20 R HA . 50253 5 35 . 1 . 1 20 20 ARG C C 13 174.265000 . . . . . . . . 20 R CO . 50253 5 36 . 1 . 1 20 20 ARG CA C 13 55.413000 . . . . . . . . 20 R CA . 50253 5 37 . 1 . 1 20 20 ARG CB C 13 33.253000 . . . . . . . . 20 R CB . 50253 5 38 . 1 . 1 20 20 ARG N N 15 123.607000 . . . . . . . . 20 R N . 50253 5 39 . 1 . 1 21 21 THR H H 1 8.526000 . . . . . . . . 21 T HN . 50253 5 40 . 1 . 1 21 21 THR HA H 1 5.054000 . . . . . . . . 21 T HA . 50253 5 41 . 1 . 1 21 21 THR C C 13 174.473000 . . . . . . . . 21 T CO . 50253 5 42 . 1 . 1 21 21 THR CA C 13 61.803000 . . . . . . . . 21 T CA . 50253 5 43 . 1 . 1 21 21 THR CB C 13 70.148000 . . . . . . . . 21 T CB . 50253 5 44 . 1 . 1 21 21 THR N N 15 118.091000 . . . . . . . . 21 T N . 50253 5 45 . 1 . 1 22 22 VAL H H 1 8.877000 . . . . . . . . 22 V HN . 50253 5 46 . 1 . 1 22 22 VAL HA H 1 4.227000 . . . . . . . . 22 V HA . 50253 5 47 . 1 . 1 22 22 VAL C C 13 174.224000 . . . . . . . . 22 V CO . 50253 5 48 . 1 . 1 22 22 VAL CA C 13 61.062000 . . . . . . . . 22 V CA . 50253 5 49 . 1 . 1 22 22 VAL CB C 13 34.632000 . . . . . . . . 22 V CB . 50253 5 50 . 1 . 1 22 22 VAL N N 15 127.260000 . . . . . . . . 22 V N . 50253 5 51 . 1 . 1 23 23 ALA H H 1 8.665000 . . . . . . . . 23 A HN . 50253 5 52 . 1 . 1 23 23 ALA HA H 1 4.879000 . . . . . . . . 23 A HA . 50253 5 53 . 1 . 1 23 23 ALA C C 13 177.320000 . . . . . . . . 23 A CO . 50253 5 54 . 1 . 1 23 23 ALA CA C 13 51.602000 . . . . . . . . 23 A CA . 50253 5 55 . 1 . 1 23 23 ALA CB C 13 19.240000 . . . . . . . . 23 A CB . 50253 5 56 . 1 . 1 23 23 ALA N N 15 129.825000 . . . . . . . . 23 A N . 50253 5 57 . 1 . 1 24 24 ILE H H 1 8.364000 . . . . . . . . 24 I HN . 50253 5 58 . 1 . 1 24 24 ILE C C 13 175.285000 . . . . . . . . 24 I CO . 50253 5 59 . 1 . 1 24 24 ILE CA C 13 59.395000 . . . . . . . . 24 I CA . 50253 5 60 . 1 . 1 24 24 ILE CB C 13 39.805000 . . . . . . . . 24 I CB . 50253 5 61 . 1 . 1 24 24 ILE N N 15 119.609000 . . . . . . . . 24 I N . 50253 5 62 . 1 . 1 25 25 SER H H 1 8.894000 . . . . . . . . 25 S HN . 50253 5 63 . 1 . 1 25 25 SER HA H 1 4.549000 . . . . . . . . 25 S HA . 50253 5 64 . 1 . 1 25 25 SER C C 13 173.630000 . . . . . . . . 25 S CO . 50253 5 65 . 1 . 1 25 25 SER CA C 13 58.498000 . . . . . . . . 25 S CA . 50253 5 66 . 1 . 1 25 25 SER CB C 13 64.484000 . . . . . . . . 25 S CB . 50253 5 67 . 1 . 1 25 25 SER N N 15 118.110000 . . . . . . . . 25 S N . 50253 5 68 . 1 . 1 26 26 ASP H H 1 7.653000 . . . . . . . . 26 D HN . 50253 5 69 . 1 . 1 26 26 ASP HA H 1 4.421000 . . . . . . . . 26 D HA . 50253 5 70 . 1 . 1 26 26 ASP C C 13 175.392000 . . . . . . . . 26 D CO . 50253 5 71 . 1 . 1 26 26 ASP CA C 13 53.664000 . . . . . . . . 26 D CA . 50253 5 72 . 1 . 1 26 26 ASP CB C 13 44.239000 . . . . . . . . 26 D CB . 50253 5 73 . 1 . 1 26 26 ASP N N 15 121.255000 . . . . . . . . 26 D N . 50253 5 74 . 1 . 1 27 27 ALA H H 1 8.588000 . . . . . . . . 27 A HN . 50253 5 75 . 1 . 1 27 27 ALA HA H 1 3.678000 . . . . . . . . 27 A HA . 50253 5 76 . 1 . 1 27 27 ALA C C 13 178.508000 . . . . . . . . 27 A CO . 50253 5 77 . 1 . 1 27 27 ALA CA C 13 54.455000 . . . . . . . . 27 A CA . 50253 5 78 . 1 . 1 27 27 ALA CB C 13 18.169000 . . . . . . . . 27 A CB . 50253 5 79 . 1 . 1 27 27 ALA N N 15 127.082000 . . . . . . . . 27 A N . 50253 5 80 . 1 . 1 28 28 ALA H H 1 8.708000 . . . . . . . . 28 A HN . 50253 5 81 . 1 . 1 28 28 ALA HA H 1 4.158000 . . . . . . . . 28 A HA . 50253 5 82 . 1 . 1 28 28 ALA C C 13 178.238000 . . . . . . . . 28 A CO . 50253 5 83 . 1 . 1 28 28 ALA CA C 13 53.610000 . . . . . . . . 28 A CA . 50253 5 84 . 1 . 1 28 28 ALA CB C 13 18.438000 . . . . . . . . 28 A CB . 50253 5 85 . 1 . 1 28 28 ALA N N 15 120.759000 . . . . . . . . 28 A N . 50253 5 86 . 1 . 1 29 29 GLN H H 1 7.778000 . . . . . . . . 29 Q HN . 50253 5 87 . 1 . 1 29 29 GLN HA H 1 4.159000 . . . . . . . . 29 Q HA . 50253 5 88 . 1 . 1 29 29 GLN C C 13 176.277000 . . . . . . . . 29 Q CO . 50253 5 89 . 1 . 1 29 29 GLN CA C 13 55.685000 . . . . . . . . 29 Q CA . 50253 5 90 . 1 . 1 29 29 GLN CB C 13 29.509000 . . . . . . . . 29 Q CB . 50253 5 91 . 1 . 1 29 29 GLN N N 15 114.750000 . . . . . . . . 29 Q N . 50253 5 92 . 1 . 1 30 30 LEU H H 1 7.397000 . . . . . . . . 30 L HN . 50253 5 93 . 1 . 1 30 30 LEU CA C 13 52.931000 . . . . . . . . 30 L CA . 50253 5 94 . 1 . 1 30 30 LEU CB C 13 41.362000 . . . . . . . . 30 L CB . 50253 5 95 . 1 . 1 30 30 LEU N N 15 121.605000 . . . . . . . . 30 L N . 50253 5 96 . 1 . 1 31 31 PRO HA H 1 4.499000 . . . . . . . . 31 P HA . 50253 5 97 . 1 . 1 31 31 PRO CA C 13 62.287000 . . . . . . . . 31 P CA . 50253 5 98 . 1 . 1 31 31 PRO CB C 13 32.236000 . . . . . . . . 31 P CB . 50253 5 99 . 1 . 1 32 32 HIS H H 1 8.468000 . . . . . . . . 32 H HN . 50253 5 100 . 1 . 1 32 32 HIS HA H 1 4.359000 . . . . . . . . 32 H HA . 50253 5 101 . 1 . 1 32 32 HIS C C 13 175.530000 . . . . . . . . 32 H CO . 50253 5 102 . 1 . 1 32 32 HIS CA C 13 58.068000 . . . . . . . . 32 H CA . 50253 5 103 . 1 . 1 32 32 HIS CB C 13 30.266000 . . . . . . . . 32 H CB . 50253 5 104 . 1 . 1 32 32 HIS N N 15 117.632000 . . . . . . . . 32 H N . 50253 5 105 . 1 . 1 33 33 ASP H H 1 8.023000 . . . . . . . . 33 D HN . 50253 5 106 . 1 . 1 33 33 ASP HA H 1 4.492000 . . . . . . . . 33 D HA . 50253 5 107 . 1 . 1 33 33 ASP C C 13 175.292000 . . . . . . . . 33 D CO . 50253 5 108 . 1 . 1 33 33 ASP CA C 13 52.654000 . . . . . . . . 33 D CA . 50253 5 109 . 1 . 1 33 33 ASP CB C 13 39.935000 . . . . . . . . 33 D CB . 50253 5 110 . 1 . 1 33 33 ASP N N 15 116.965000 . . . . . . . . 33 D N . 50253 5 111 . 1 . 1 34 34 TYR H H 1 7.194000 . . . . . . . . 34 Y HN . 50253 5 112 . 1 . 1 34 34 TYR HA H 1 4.548000 . . . . . . . . 34 Y HA . 50253 5 113 . 1 . 1 34 34 TYR C C 13 173.761000 . . . . . . . . 34 Y CO . 50253 5 114 . 1 . 1 34 34 TYR CA C 13 57.509000 . . . . . . . . 34 Y CA . 50253 5 115 . 1 . 1 34 34 TYR CB C 13 37.956000 . . . . . . . . 34 Y CB . 50253 5 116 . 1 . 1 34 34 TYR N N 15 117.101000 . . . . . . . . 34 Y N . 50253 5 117 . 1 . 1 35 35 CYS H H 1 9.084000 . . . . . . . . 35 C HN . 50253 5 118 . 1 . 1 35 35 CYS HA H 1 4.482000 . . . . . . . . 35 C HA . 50253 5 119 . 1 . 1 35 35 CYS C C 13 172.520000 . . . . . . . . 35 C CO . 50253 5 120 . 1 . 1 35 35 CYS CA C 13 57.220000 . . . . . . . . 35 C CA . 50253 5 121 . 1 . 1 35 35 CYS CB C 13 30.911000 . . . . . . . . 35 C CB . 50253 5 122 . 1 . 1 35 35 CYS N N 15 120.490000 . . . . . . . . 35 C N . 50253 5 123 . 1 . 1 36 36 THR H H 1 8.135000 . . . . . . . . 36 T HN . 50253 5 124 . 1 . 1 36 36 THR HA H 1 5.917000 . . . . . . . . 36 T HA . 50253 5 125 . 1 . 1 36 36 THR C C 13 176.004000 . . . . . . . . 36 T CO . 50253 5 126 . 1 . 1 36 36 THR CA C 13 60.062000 . . . . . . . . 36 T CA . 50253 5 127 . 1 . 1 36 36 THR CB C 13 71.681000 . . . . . . . . 36 T CB . 50253 5 128 . 1 . 1 36 36 THR N N 15 112.938000 . . . . . . . . 36 T N . 50253 5 129 . 1 . 1 37 37 THR CA C 13 60.791000 . . . . . . . . 37 T CA . 50253 5 130 . 1 . 1 37 37 THR CB C 13 69.148000 . . . . . . . . 37 T CB . 50253 5 131 . 1 . 1 38 38 PRO HA H 1 4.226000 . . . . . . . . 38 P HA . 50253 5 132 . 1 . 1 38 38 PRO CA C 13 66.429000 . . . . . . . . 38 P CA . 50253 5 133 . 1 . 1 38 38 PRO CB C 13 32.194000 . . . . . . . . 38 P CB . 50253 5 134 . 1 . 1 39 39 GLY H H 1 11.105000 . . . . . . . . 39 G HN . 50253 5 135 . 1 . 1 39 39 GLY HA2 H 1 3.827000 . . . . . . . . 39 G HA2 . 50253 5 136 . 1 . 1 39 39 GLY HA3 H 1 4.038000 . . . . . . . . 39 G HA3 . 50253 5 137 . 1 . 1 39 39 GLY C C 13 175.867000 . . . . . . . . 39 G CO . 50253 5 138 . 1 . 1 39 39 GLY CA C 13 45.609000 . . . . . . . . 39 G CA . 50253 5 139 . 1 . 1 39 39 GLY N N 15 109.562000 . . . . . . . . 39 G N . 50253 5 140 . 1 . 1 40 40 GLY H H 1 8.316000 . . . . . . . . 40 G HN . 50253 5 141 . 1 . 1 40 40 GLY HA2 H 1 3.508000 . . . . . . . . 40 G HA2 . 50253 5 142 . 1 . 1 40 40 GLY HA3 H 1 4.371000 . . . . . . . . 40 G HA3 . 50253 5 143 . 1 . 1 40 40 GLY C C 13 174.484000 . . . . . . . . 40 G CO . 50253 5 144 . 1 . 1 40 40 GLY CA C 13 44.640000 . . . . . . . . 40 G CA . 50253 5 145 . 1 . 1 40 40 GLY N N 15 107.975000 . . . . . . . . 40 G N . 50253 5 146 . 1 . 1 41 41 THR H H 1 8.391000 . . . . . . . . 41 T HN . 50253 5 147 . 1 . 1 41 41 THR HA H 1 4.414000 . . . . . . . . 41 T HA . 50253 5 148 . 1 . 1 41 41 THR C C 13 173.266000 . . . . . . . . 41 T CO . 50253 5 149 . 1 . 1 41 41 THR CA C 13 66.666000 . . . . . . . . 41 T CA . 50253 5 150 . 1 . 1 41 41 THR CB C 13 67.358000 . . . . . . . . 41 T CB . 50253 5 151 . 1 . 1 41 41 THR N N 15 121.884000 . . . . . . . . 41 T N . 50253 5 152 . 1 . 1 42 42 LEU H H 1 8.851000 . . . . . . . . 42 L HN . 50253 5 153 . 1 . 1 42 42 LEU HA H 1 5.475000 . . . . . . . . 42 L HA . 50253 5 154 . 1 . 1 42 42 LEU C C 13 176.482000 . . . . . . . . 42 L CO . 50253 5 155 . 1 . 1 42 42 LEU CA C 13 54.127000 . . . . . . . . 42 L CA . 50253 5 156 . 1 . 1 42 42 LEU CB C 13 44.490000 . . . . . . . . 42 L CB . 50253 5 157 . 1 . 1 42 42 LEU N N 15 128.454000 . . . . . . . . 42 L N . 50253 5 158 . 1 . 1 43 43 PHE H H 1 9.274000 . . . . . . . . 43 F HN . 50253 5 159 . 1 . 1 43 43 PHE HA H 1 6.233000 . . . . . . . . 43 F HA . 50253 5 160 . 1 . 1 43 43 PHE C C 13 173.304000 . . . . . . . . 43 F CO . 50253 5 161 . 1 . 1 43 43 PHE CA C 13 56.341000 . . . . . . . . 43 F CA . 50253 5 162 . 1 . 1 43 43 PHE CB C 13 43.381000 . . . . . . . . 43 F CB . 50253 5 163 . 1 . 1 43 43 PHE N N 15 118.859000 . . . . . . . . 43 F N . 50253 5 164 . 1 . 1 44 44 SER H H 1 9.460000 . . . . . . . . 44 S HN . 50253 5 165 . 1 . 1 44 44 SER HA H 1 4.787000 . . . . . . . . 44 S HA . 50253 5 166 . 1 . 1 44 44 SER C C 13 172.647000 . . . . . . . . 44 S CO . 50253 5 167 . 1 . 1 44 44 SER CA C 13 57.539000 . . . . . . . . 44 S CA . 50253 5 168 . 1 . 1 44 44 SER CB C 13 65.591000 . . . . . . . . 44 S CB . 50253 5 169 . 1 . 1 44 44 SER N N 15 115.213000 . . . . . . . . 44 S N . 50253 5 170 . 1 . 1 45 45 THR H H 1 8.320000 . . . . . . . . 45 T HN . 50253 5 171 . 1 . 1 45 45 THR HA H 1 5.682000 . . . . . . . . 45 T HA . 50253 5 172 . 1 . 1 45 45 THR C C 13 175.552000 . . . . . . . . 45 T CO . 50253 5 173 . 1 . 1 45 45 THR CA C 13 60.797000 . . . . . . . . 45 T CA . 50253 5 174 . 1 . 1 45 45 THR CB C 13 71.231000 . . . . . . . . 45 T CB . 50253 5 175 . 1 . 1 45 45 THR N N 15 114.046000 . . . . . . . . 45 T N . 50253 5 176 . 1 . 1 46 46 THR CA C 13 60.841000 . . . . . . . . 46 T CA . 50253 5 177 . 1 . 1 46 46 THR CB C 13 68.988000 . . . . . . . . 46 T CB . 50253 5 178 . 1 . 1 47 47 PRO HA H 1 4.245000 . . . . . . . . 47 P HA . 50253 5 179 . 1 . 1 47 47 PRO CA C 13 66.527000 . . . . . . . . 47 P CA . 50253 5 180 . 1 . 1 47 47 PRO CB C 13 32.195000 . . . . . . . . 47 P CB . 50253 5 181 . 1 . 1 48 48 GLY H H 1 11.199000 . . . . . . . . 48 G HN . 50253 5 182 . 1 . 1 48 48 GLY HA2 H 1 3.827000 . . . . . . . . 48 G HA2 . 50253 5 183 . 1 . 1 48 48 GLY HA3 H 1 4.038000 . . . . . . . . 48 G HA3 . 50253 5 184 . 1 . 1 48 48 GLY C C 13 175.867000 . . . . . . . . 48 G CO . 50253 5 185 . 1 . 1 48 48 GLY CA C 13 45.609000 . . . . . . . . 48 G CA . 50253 5 186 . 1 . 1 48 48 GLY N N 15 109.650000 . . . . . . . . 48 G N . 50253 5 187 . 1 . 1 49 49 GLY H H 1 8.316000 . . . . . . . . 49 G HN . 50253 5 188 . 1 . 1 49 49 GLY HA2 H 1 3.508000 . . . . . . . . 49 G HA2 . 50253 5 189 . 1 . 1 49 49 GLY HA3 H 1 4.371000 . . . . . . . . 49 G HA3 . 50253 5 190 . 1 . 1 49 49 GLY C C 13 174.290000 . . . . . . . . 49 G CO . 50253 5 191 . 1 . 1 49 49 GLY CA C 13 44.640000 . . . . . . . . 49 G CA . 50253 5 192 . 1 . 1 49 49 GLY N N 15 107.975000 . . . . . . . . 49 G N . 50253 5 193 . 1 . 1 50 50 THR H H 1 8.381000 . . . . . . . . 50 T HN . 50253 5 194 . 1 . 1 50 50 THR HA H 1 4.192000 . . . . . . . . 50 T HA . 50253 5 195 . 1 . 1 50 50 THR C C 13 173.135000 . . . . . . . . 50 T CO . 50253 5 196 . 1 . 1 50 50 THR CA C 13 65.844000 . . . . . . . . 50 T CA . 50253 5 197 . 1 . 1 50 50 THR CB C 13 67.344000 . . . . . . . . 50 T CB . 50253 5 198 . 1 . 1 50 50 THR N N 15 121.810000 . . . . . . . . 50 T N . 50253 5 199 . 1 . 1 51 51 ARG H H 1 8.522000 . . . . . . . . 51 R HN . 50253 5 200 . 1 . 1 51 51 ARG HA H 1 4.953000 . . . . . . . . 51 R HA . 50253 5 201 . 1 . 1 51 51 ARG C C 13 174.271000 . . . . . . . . 51 R CO . 50253 5 202 . 1 . 1 51 51 ARG CA C 13 55.724000 . . . . . . . . 51 R CA . 50253 5 203 . 1 . 1 51 51 ARG CB C 13 31.549000 . . . . . . . . 51 R CB . 50253 5 204 . 1 . 1 51 51 ARG N N 15 126.859000 . . . . . . . . 51 R N . 50253 5 205 . 1 . 1 52 52 ILE H H 1 9.152000 . . . . . . . . 52 I HN . 50253 5 206 . 1 . 1 52 52 ILE HA H 1 4.511000 . . . . . . . . 52 I HA . 50253 5 207 . 1 . 1 52 52 ILE C C 13 175.032000 . . . . . . . . 52 I CO . 50253 5 208 . 1 . 1 52 52 ILE CA C 13 59.019000 . . . . . . . . 52 I CA . 50253 5 209 . 1 . 1 52 52 ILE CB C 13 38.289000 . . . . . . . . 52 I CB . 50253 5 210 . 1 . 1 52 52 ILE N N 15 128.349000 . . . . . . . . 52 I N . 50253 5 211 . 1 . 1 53 53 ILE H H 1 8.587000 . . . . . . . . 53 I HN . 50253 5 212 . 1 . 1 53 53 ILE HA H 1 4.534000 . . . . . . . . 53 I HA . 50253 5 213 . 1 . 1 53 53 ILE C C 13 175.522000 . . . . . . . . 53 I CO . 50253 5 214 . 1 . 1 53 53 ILE CA C 13 59.284000 . . . . . . . . 53 I CA . 50253 5 215 . 1 . 1 53 53 ILE CB C 13 38.881000 . . . . . . . . 53 I CB . 50253 5 216 . 1 . 1 53 53 ILE N N 15 125.263000 . . . . . . . . 53 I N . 50253 5 217 . 1 . 1 54 54 TYR H H 1 8.141000 . . . . . . . . 54 Y HN . 50253 5 218 . 1 . 1 54 54 TYR HA H 1 4.958000 . . . . . . . . 54 Y HA . 50253 5 219 . 1 . 1 54 54 TYR C C 13 175.049000 . . . . . . . . 54 Y CO . 50253 5 220 . 1 . 1 54 54 TYR CA C 13 57.226000 . . . . . . . . 54 Y CA . 50253 5 221 . 1 . 1 54 54 TYR CB C 13 38.799000 . . . . . . . . 54 Y CB . 50253 5 222 . 1 . 1 54 54 TYR N N 15 124.884000 . . . . . . . . 54 Y N . 50253 5 223 . 1 . 1 55 55 ASP H H 1 8.749000 . . . . . . . . 55 D HN . 50253 5 224 . 1 . 1 55 55 ASP HA H 1 4.673000 . . . . . . . . 55 D HA . 50253 5 225 . 1 . 1 55 55 ASP C C 13 176.401000 . . . . . . . . 55 D CO . 50253 5 226 . 1 . 1 55 55 ASP CA C 13 53.368000 . . . . . . . . 55 D CA . 50253 5 227 . 1 . 1 55 55 ASP CB C 13 41.963000 . . . . . . . . 55 D CB . 50253 5 228 . 1 . 1 55 55 ASP N N 15 125.242000 . . . . . . . . 55 D N . 50253 5 229 . 1 . 1 56 56 ARG H H 1 8.464000 . . . . . . . . 56 R HN . 50253 5 230 . 1 . 1 56 56 ARG HA H 1 4.265000 . . . . . . . . 56 R HA . 50253 5 231 . 1 . 1 56 56 ARG C C 13 176.336000 . . . . . . . . 56 R CO . 50253 5 232 . 1 . 1 56 56 ARG CA C 13 56.428000 . . . . . . . . 56 R CA . 50253 5 233 . 1 . 1 56 56 ARG CB C 13 30.166000 . . . . . . . . 56 R CB . 50253 5 234 . 1 . 1 56 56 ARG N N 15 124.468000 . . . . . . . . 56 R N . 50253 5 235 . 1 . 1 57 57 LYS H H 1 8.553000 . . . . . . . . 57 K HN . 50253 5 236 . 1 . 1 57 57 LYS HA H 1 4.131000 . . . . . . . . 57 K HA . 50253 5 237 . 1 . 1 57 57 LYS C C 13 176.794000 . . . . . . . . 57 K CO . 50253 5 238 . 1 . 1 57 57 LYS CA C 13 57.365000 . . . . . . . . 57 K CA . 50253 5 239 . 1 . 1 57 57 LYS CB C 13 32.009000 . . . . . . . . 57 K CB . 50253 5 240 . 1 . 1 57 57 LYS N N 15 124.028000 . . . . . . . . 57 K N . 50253 5 241 . 1 . 1 58 58 PHE H H 1 7.738000 . . . . . . . . 58 F HN . 50253 5 242 . 1 . 1 58 58 PHE HA H 1 4.584000 . . . . . . . . 58 F HA . 50253 5 243 . 1 . 1 58 58 PHE C C 13 175.607000 . . . . . . . . 58 F CO . 50253 5 244 . 1 . 1 58 58 PHE CA C 13 57.303000 . . . . . . . . 58 F CA . 50253 5 245 . 1 . 1 58 58 PHE CB C 13 38.879000 . . . . . . . . 58 F CB . 50253 5 246 . 1 . 1 58 58 PHE N N 15 116.348000 . . . . . . . . 58 F N . 50253 5 247 . 1 . 1 59 59 LEU H H 1 7.733000 . . . . . . . . 59 L HN . 50253 5 248 . 1 . 1 59 59 LEU HA H 1 4.217000 . . . . . . . . 59 L HA . 50253 5 249 . 1 . 1 59 59 LEU C C 13 177.274000 . . . . . . . . 59 L CO . 50253 5 250 . 1 . 1 59 59 LEU CA C 13 55.449000 . . . . . . . . 59 L CA . 50253 5 251 . 1 . 1 59 59 LEU CB C 13 42.217000 . . . . . . . . 59 L CB . 50253 5 252 . 1 . 1 59 59 LEU N N 15 121.058000 . . . . . . . . 59 L N . 50253 5 253 . 1 . 1 60 60 LEU H H 1 7.999000 . . . . . . . . 60 L HN . 50253 5 254 . 1 . 1 60 60 LEU HA H 1 4.279000 . . . . . . . . 60 L HA . 50253 5 255 . 1 . 1 60 60 LEU C C 13 177.065000 . . . . . . . . 60 L CO . 50253 5 256 . 1 . 1 60 60 LEU CA C 13 55.468000 . . . . . . . . 60 L CA . 50253 5 257 . 1 . 1 60 60 LEU CB C 13 42.340000 . . . . . . . . 60 L CB . 50253 5 258 . 1 . 1 60 60 LEU N N 15 121.776000 . . . . . . . . 60 L N . 50253 5 259 . 1 . 1 61 61 ASP H H 1 8.203000 . . . . . . . . 61 D HN . 50253 5 260 . 1 . 1 61 61 ASP CA C 13 54.282000 . . . . . . . . 61 D CA . 50253 5 261 . 1 . 1 61 61 ASP CB C 13 41.128000 . . . . . . . . 61 D CB . 50253 5 262 . 1 . 1 61 61 ASP N N 15 120.887000 . . . . . . . . 61 D N . 50253 5 263 . 1 . 1 62 62 ARG C C 13 176.727000 . . . . . . . . 62 R CO . 50253 5 264 . 1 . 1 63 63 ARG H H 1 8.335000 . . . . . . . . 63 R HN . 50253 5 265 . 1 . 1 63 63 ARG N N 15 120.745000 . . . . . . . . 63 R N . 50253 5 266 . 1 . 1 64 64 ASN HA H 1 4.672000 . . . . . . . . 64 N HA . 50253 5 267 . 1 . 1 64 64 ASN CA C 13 53.046000 . . . . . . . . 64 N CA . 50253 5 268 . 1 . 1 64 64 ASN CB C 13 38.957000 . . . . . . . . 64 N CB . 50253 5 269 . 1 . 1 65 65 SER H H 1 8.045000 . . . . . . . . 65 S HN . 50253 5 270 . 1 . 1 65 65 SER N N 15 125.061000 . . . . . . . . 65 S N . 50253 5 271 . 1 . 1 66 66 PRO HA H 1 4.384000 . . . . . . . . 66 P HA . 50253 5 272 . 1 . 1 66 66 PRO CA C 13 63.148000 . . . . . . . . 66 P CA . 50253 5 273 . 1 . 1 66 66 PRO CB C 13 31.989000 . . . . . . . . 66 P CB . 50253 5 274 . 1 . 1 67 67 MET H H 1 8.445000 . . . . . . . . 67 M HN . 50253 5 275 . 1 . 1 67 67 MET HA H 1 4.393000 . . . . . . . . 67 M HA . 50253 5 276 . 1 . 1 67 67 MET CA C 13 55.525000 . . . . . . . . 67 M CA . 50253 5 277 . 1 . 1 67 67 MET CB C 13 33.031000 . . . . . . . . 67 M CB . 50253 5 278 . 1 . 1 67 67 MET N N 15 120.501000 . . . . . . . . 67 M N . 50253 5 279 . 1 . 1 68 68 ALA H H 1 8.328000 . . . . . . . . 68 A HN . 50253 5 280 . 1 . 1 68 68 ALA HA H 1 4.264000 . . . . . . . . 68 A HA . 50253 5 281 . 1 . 1 68 68 ALA C C 13 177.385000 . . . . . . . . 68 A CO . 50253 5 282 . 1 . 1 68 68 ALA CA C 13 52.562000 . . . . . . . . 68 A CA . 50253 5 283 . 1 . 1 68 68 ALA CB C 13 19.297000 . . . . . . . . 68 A CB . 50253 5 284 . 1 . 1 68 68 ALA N N 15 125.503000 . . . . . . . . 68 A N . 50253 5 285 . 1 . 1 69 69 GLN H H 1 8.311000 . . . . . . . . 69 Q HN . 50253 5 286 . 1 . 1 69 69 GLN HA H 1 4.277000 . . . . . . . . 69 Q HA . 50253 5 287 . 1 . 1 69 69 GLN C C 13 175.218000 . . . . . . . . 69 Q CO . 50253 5 288 . 1 . 1 69 69 GLN CA C 13 55.371000 . . . . . . . . 69 Q CA . 50253 5 289 . 1 . 1 69 69 GLN CB C 13 29.794000 . . . . . . . . 69 Q CB . 50253 5 290 . 1 . 1 69 69 GLN N N 15 119.606000 . . . . . . . . 69 Q N . 50253 5 291 . 1 . 1 70 70 THR H H 1 8.356000 . . . . . . . . 70 T HN . 50253 5 292 . 1 . 1 70 70 THR N N 15 127.185000 . . . . . . . . 70 T N . 50253 5 293 . 1 . 1 73 73 CYS H H 1 8.387000 . . . . . . . . 73 C HN . 50253 5 294 . 1 . 1 73 73 CYS N N 15 119.383000 . . . . . . . . 73 C N . 50253 5 295 . 1 . 1 76 76 PRO HA H 1 4.359000 . . . . . . . . 76 P HA . 50253 5 296 . 1 . 1 76 76 PRO CA C 13 63.034000 . . . . . . . . 76 P CA . 50253 5 297 . 1 . 1 76 76 PRO CB C 13 32.098000 . . . . . . . . 76 P CB . 50253 5 298 . 1 . 1 77 77 ASN H H 1 8.476000 . . . . . . . . 77 N HN . 50253 5 299 . 1 . 1 77 77 ASN CA C 13 53.185000 . . . . . . . . 77 N CA . 50253 5 300 . 1 . 1 77 77 ASN CB C 13 38.877000 . . . . . . . . 77 N CB . 50253 5 301 . 1 . 1 77 77 ASN N N 15 118.609000 . . . . . . . . 77 N N . 50253 5 302 . 1 . 1 78 78 ILE H H 1 8.135000 . . . . . . . . 78 I HN . 50253 5 303 . 1 . 1 78 78 ILE N N 15 123.123000 . . . . . . . . 78 I N . 50253 5 304 . 1 . 1 79 79 PRO HA H 1 4.341000 . . . . . . . . 79 P HA . 50253 5 305 . 1 . 1 79 79 PRO CA C 13 63.620000 . . . . . . . . 79 P CA . 50253 5 306 . 1 . 1 79 79 PRO CB C 13 32.123000 . . . . . . . . 79 P CB . 50253 5 307 . 1 . 1 80 80 GLY H H 1 8.491000 . . . . . . . . 80 G HN . 50253 5 308 . 1 . 1 80 80 GLY HA2 H 1 3.928000 . . . . . . . . 80 G HA . 50253 5 309 . 1 . 1 80 80 GLY HA3 H 1 3.928000 . . . . . . . . 80 G HA . 50253 5 310 . 1 . 1 80 80 GLY C C 13 174.015000 . . . . . . . . 80 G CO . 50253 5 311 . 1 . 1 80 80 GLY CA C 13 45.265000 . . . . . . . . 80 G CA . 50253 5 312 . 1 . 1 80 80 GLY N N 15 109.738000 . . . . . . . . 80 G N . 50253 5 313 . 1 . 1 81 81 VAL H H 1 7.970000 . . . . . . . . 81 V HN . 50253 5 314 . 1 . 1 81 81 VAL HA H 1 4.178000 . . . . . . . . 81 V HA . 50253 5 315 . 1 . 1 81 81 VAL C C 13 176.308000 . . . . . . . . 81 V CO . 50253 5 316 . 1 . 1 81 81 VAL CA C 13 62.408000 . . . . . . . . 81 V CA . 50253 5 317 . 1 . 1 81 81 VAL CB C 13 33.077000 . . . . . . . . 81 V CB . 50253 5 318 . 1 . 1 81 81 VAL N N 15 119.707000 . . . . . . . . 81 V N . 50253 5 319 . 1 . 1 82 82 THR H H 1 8.323000 . . . . . . . . 82 T HN . 50253 5 320 . 1 . 1 82 82 THR HA H 1 4.299000 . . . . . . . . 82 T HA . 50253 5 321 . 1 . 1 82 82 THR C C 13 173.757000 . . . . . . . . 82 T CO . 50253 5 322 . 1 . 1 82 82 THR CA C 13 61.725000 . . . . . . . . 82 T CA . 50253 5 323 . 1 . 1 82 82 THR CB C 13 69.884000 . . . . . . . . 82 T CB . 50253 5 324 . 1 . 1 82 82 THR N N 15 118.473000 . . . . . . . . 82 T N . 50253 5 325 . 1 . 1 83 83 SER H H 1 8.387000 . . . . . . . . 83 S HN . 50253 5 326 . 1 . 1 84 84 PRO HA H 1 4.392000 . . . . . . . . 84 P HA . 50253 5 327 . 1 . 1 84 84 PRO CA C 13 63.483000 . . . . . . . . 84 P CA . 50253 5 328 . 1 . 1 84 84 PRO CB C 13 32.075000 . . . . . . . . 84 P CB . 50253 5 329 . 1 . 1 85 85 GLY H H 1 8.548000 . . . . . . . . 85 G HN . 50253 5 330 . 1 . 1 85 85 GLY HA2 H 1 3.947000 . . . . . . . . 85 G HA . 50253 5 331 . 1 . 1 85 85 GLY HA3 H 1 3.947000 . . . . . . . . 85 G HA . 50253 5 332 . 1 . 1 85 85 GLY C C 13 174.250000 . . . . . . . . 85 G CO . 50253 5 333 . 1 . 1 85 85 GLY CA C 13 45.290000 . . . . . . . . 85 G CA . 50253 5 334 . 1 . 1 85 85 GLY N N 15 109.292000 . . . . . . . . 85 G N . 50253 5 335 . 1 . 1 86 86 THR H H 1 7.952000 . . . . . . . . 86 T HN . 50253 5 336 . 1 . 1 86 86 THR HA H 1 4.264000 . . . . . . . . 86 T HA . 50253 5 337 . 1 . 1 86 86 THR C C 13 174.209000 . . . . . . . . 86 T CO . 50253 5 338 . 1 . 1 86 86 THR CA C 13 62.195000 . . . . . . . . 86 T CA . 50253 5 339 . 1 . 1 86 86 THR CB C 13 69.916000 . . . . . . . . 86 T CB . 50253 5 340 . 1 . 1 86 86 THR N N 15 114.161000 . . . . . . . . 86 T N . 50253 5 341 . 1 . 1 87 87 LEU H H 1 8.340000 . . . . . . . . 87 L HN . 50253 5 342 . 1 . 1 87 87 LEU HA H 1 4.370000 . . . . . . . . 87 L HA . 50253 5 343 . 1 . 1 87 87 LEU C C 13 176.971000 . . . . . . . . 87 L CO . 50253 5 344 . 1 . 1 87 87 LEU CA C 13 55.155000 . . . . . . . . 87 L CA . 50253 5 345 . 1 . 1 87 87 LEU CB C 13 42.302000 . . . . . . . . 87 L CB . 50253 5 346 . 1 . 1 87 87 LEU N N 15 125.356000 . . . . . . . . 87 L N . 50253 5 347 . 1 . 1 88 88 ILE H H 1 8.230000 . . . . . . . . 88 I HN . 50253 5 348 . 1 . 1 88 88 ILE HA H 1 4.111000 . . . . . . . . 88 I HA . 50253 5 349 . 1 . 1 88 88 ILE C C 13 176.208000 . . . . . . . . 88 I CO . 50253 5 350 . 1 . 1 88 88 ILE CA C 13 61.009000 . . . . . . . . 88 I CA . 50253 5 351 . 1 . 1 88 88 ILE CB C 13 38.519000 . . . . . . . . 88 I CB . 50253 5 352 . 1 . 1 88 88 ILE N N 15 123.155000 . . . . . . . . 88 I N . 50253 5 353 . 1 . 1 89 89 GLU H H 1 8.540000 . . . . . . . . 89 E HN . 50253 5 354 . 1 . 1 89 89 GLU HA H 1 4.255000 . . . . . . . . 89 E HA . 50253 5 355 . 1 . 1 89 89 GLU C C 13 176.083000 . . . . . . . . 89 E CO . 50253 5 356 . 1 . 1 89 89 GLU CA C 13 56.583000 . . . . . . . . 89 E CA . 50253 5 357 . 1 . 1 89 89 GLU CB C 13 30.438000 . . . . . . . . 89 E CB . 50253 5 358 . 1 . 1 89 89 GLU N N 15 125.607000 . . . . . . . . 89 E N . 50253 5 359 . 1 . 1 90 90 ASP H H 1 8.393000 . . . . . . . . 90 D HN . 50253 5 360 . 1 . 1 90 90 ASP HA H 1 4.572000 . . . . . . . . 90 D HA . 50253 5 361 . 1 . 1 90 90 ASP C C 13 176.381000 . . . . . . . . 90 D CO . 50253 5 362 . 1 . 1 90 90 ASP CA C 13 54.533000 . . . . . . . . 90 D CA . 50253 5 363 . 1 . 1 90 90 ASP CB C 13 41.268000 . . . . . . . . 90 D CB . 50253 5 364 . 1 . 1 90 90 ASP N N 15 122.207000 . . . . . . . . 90 D N . 50253 5 365 . 1 . 1 91 91 SER H H 1 8.285000 . . . . . . . . 91 S HN . 50253 5 366 . 1 . 1 91 91 SER HA H 1 4.368000 . . . . . . . . 91 S HA . 50253 5 367 . 1 . 1 91 91 SER C C 13 174.622000 . . . . . . . . 91 S CO . 50253 5 368 . 1 . 1 91 91 SER CA C 13 58.685000 . . . . . . . . 91 S CA . 50253 5 369 . 1 . 1 91 91 SER CB C 13 63.665000 . . . . . . . . 91 S CB . 50253 5 370 . 1 . 1 91 91 SER N N 15 116.423000 . . . . . . . . 91 S N . 50253 5 371 . 1 . 1 92 92 LYS H H 1 8.351000 . . . . . . . . 92 K HN . 50253 5 372 . 1 . 1 92 92 LYS HA H 1 4.315000 . . . . . . . . 92 K HA . 50253 5 373 . 1 . 1 92 92 LYS C C 13 176.488000 . . . . . . . . 92 K CO . 50253 5 374 . 1 . 1 92 92 LYS CA C 13 56.413000 . . . . . . . . 92 K CA . 50253 5 375 . 1 . 1 92 92 LYS CB C 13 32.747000 . . . . . . . . 92 K CB . 50253 5 376 . 1 . 1 92 92 LYS N N 15 123.184000 . . . . . . . . 92 K N . 50253 5 377 . 1 . 1 93 93 VAL H H 1 8.017000 . . . . . . . . 93 V HN . 50253 5 378 . 1 . 1 93 93 VAL HA H 1 4.039000 . . . . . . . . 93 V HA . 50253 5 379 . 1 . 1 93 93 VAL C C 13 176.048000 . . . . . . . . 93 V CO . 50253 5 380 . 1 . 1 93 93 VAL CA C 13 62.447000 . . . . . . . . 93 V CA . 50253 5 381 . 1 . 1 93 93 VAL CB C 13 32.761000 . . . . . . . . 93 V CB . 50253 5 382 . 1 . 1 93 93 VAL N N 15 121.252000 . . . . . . . . 93 V N . 50253 5 383 . 1 . 1 94 94 GLU H H 1 8.485000 . . . . . . . . 94 E HN . 50253 5 384 . 1 . 1 94 94 GLU HA H 1 4.306000 . . . . . . . . 94 E HA . 50253 5 385 . 1 . 1 94 94 GLU C C 13 176.479000 . . . . . . . . 94 E CO . 50253 5 386 . 1 . 1 94 94 GLU CA C 13 56.421000 . . . . . . . . 94 E CA . 50253 5 387 . 1 . 1 94 94 GLU CB C 13 30.359000 . . . . . . . . 94 E CB . 50253 5 388 . 1 . 1 94 94 GLU N N 15 125.250000 . . . . . . . . 94 E N . 50253 5 389 . 1 . 1 95 95 VAL H H 1 8.238000 . . . . . . . . 95 V HN . 50253 5 390 . 1 . 1 95 95 VAL HA H 1 4.052000 . . . . . . . . 95 V HA . 50253 5 391 . 1 . 1 95 95 VAL C C 13 175.909000 . . . . . . . . 95 V CO . 50253 5 392 . 1 . 1 95 95 VAL CA C 13 62.545000 . . . . . . . . 95 V CA . 50253 5 393 . 1 . 1 95 95 VAL CB C 13 32.733000 . . . . . . . . 95 V CB . 50253 5 394 . 1 . 1 95 95 VAL N N 15 121.602000 . . . . . . . . 95 V N . 50253 5 395 . 1 . 1 96 96 ASN H H 1 8.522000 . . . . . . . . 96 N HN . 50253 5 396 . 1 . 1 96 96 ASN HA H 1 4.689000 . . . . . . . . 96 N HA . 50253 5 397 . 1 . 1 96 96 ASN CA C 13 53.234000 . . . . . . . . 96 N CA . 50253 5 398 . 1 . 1 96 96 ASN CB C 13 38.945000 . . . . . . . . 96 N CB . 50253 5 399 . 1 . 1 96 96 ASN N N 15 121.897000 . . . . . . . . 96 N N . 50253 5 400 . 1 . 1 97 97 ASN H H 1 8.415000 . . . . . . . . 97 N HN . 50253 5 401 . 1 . 1 97 97 ASN HA H 1 4.671000 . . . . . . . . 97 N HA . 50253 5 402 . 1 . 1 97 97 ASN CA C 13 53.457000 . . . . . . . . 97 N CA . 50253 5 403 . 1 . 1 97 97 ASN CB C 13 38.751000 . . . . . . . . 97 N CB . 50253 5 404 . 1 . 1 97 97 ASN N N 15 119.564000 . . . . . . . . 97 N N . 50253 5 405 . 1 . 1 98 98 LEU H H 1 8.230000 . . . . . . . . 98 L HN . 50253 5 406 . 1 . 1 98 98 LEU HA H 1 4.244000 . . . . . . . . 98 L HA . 50253 5 407 . 1 . 1 98 98 LEU C C 13 177.438000 . . . . . . . . 98 L CO . 50253 5 408 . 1 . 1 98 98 LEU CA C 13 55.769000 . . . . . . . . 98 L CA . 50253 5 409 . 1 . 1 98 98 LEU CB C 13 41.943000 . . . . . . . . 98 L CB . 50253 5 410 . 1 . 1 98 98 LEU N N 15 122.003000 . . . . . . . . 98 L N . 50253 5 411 . 1 . 1 99 99 ASN H H 1 8.332000 . . . . . . . . 99 N HN . 50253 5 412 . 1 . 1 99 99 ASN HA H 1 4.631000 . . . . . . . . 99 N HA . 50253 5 413 . 1 . 1 99 99 ASN CA C 13 53.472000 . . . . . . . . 99 N CA . 50253 5 414 . 1 . 1 99 99 ASN CB C 13 38.759000 . . . . . . . . 99 N CB . 50253 5 415 . 1 . 1 99 99 ASN N N 15 118.034000 . . . . . . . . 99 N N . 50253 5 416 . 1 . 1 100 100 ASN H H 1 8.225000 . . . . . . . . 100 N HN . 50253 5 417 . 1 . 1 100 100 ASN HA H 1 4.658000 . . . . . . . . 100 N HA . 50253 5 418 . 1 . 1 100 100 ASN CA C 13 53.461000 . . . . . . . . 100 N CA . 50253 5 419 . 1 . 1 100 100 ASN CB C 13 38.643000 . . . . . . . . 100 N CB . 50253 5 420 . 1 . 1 100 100 ASN N N 15 118.489000 . . . . . . . . 100 N N . 50253 5 421 . 1 . 1 101 101 LEU H H 1 8.125000 . . . . . . . . 101 L HN . 50253 5 422 . 1 . 1 101 101 LEU CA C 13 55.598000 . . . . . . . . 101 L CA . 50253 5 423 . 1 . 1 101 101 LEU CB C 13 42.167000 . . . . . . . . 101 L CB . 50253 5 424 . 1 . 1 101 101 LEU N N 15 121.715000 . . . . . . . . 101 L N . 50253 5 425 . 1 . 1 105 105 ASP HA H 1 4.528000 . . . . . . . . 105 D HA . 50253 5 426 . 1 . 1 105 105 ASP C C 13 176.264000 . . . . . . . . 105 D CO . 50253 5 427 . 1 . 1 105 105 ASP CA C 13 54.512000 . . . . . . . . 105 D CA . 50253 5 428 . 1 . 1 105 105 ASP CB C 13 40.999000 . . . . . . . . 105 D CB . 50253 5 429 . 1 . 1 106 106 ARG H H 1 8.216000 . . . . . . . . 106 R HN . 50253 5 430 . 1 . 1 106 106 ARG HA H 1 4.237000 . . . . . . . . 106 R HA . 50253 5 431 . 1 . 1 106 106 ARG C C 13 176.383000 . . . . . . . . 106 R CO . 50253 5 432 . 1 . 1 106 106 ARG CA C 13 56.305000 . . . . . . . . 106 R CA . 50253 5 433 . 1 . 1 106 106 ARG CB C 13 30.464000 . . . . . . . . 106 R CB . 50253 5 434 . 1 . 1 106 106 ARG N N 15 121.256000 . . . . . . . . 106 R N . 50253 5 435 . 1 . 1 107 107 LYS H H 1 8.303000 . . . . . . . . 107 K HN . 50253 5 436 . 1 . 1 107 107 LYS HA H 1 4.191000 . . . . . . . . 107 K HA . 50253 5 437 . 1 . 1 107 107 LYS C C 13 176.440000 . . . . . . . . 107 K CO . 50253 5 438 . 1 . 1 107 107 LYS CA C 13 56.621000 . . . . . . . . 107 K CA . 50253 5 439 . 1 . 1 107 107 LYS CB C 13 32.747000 . . . . . . . . 107 K CB . 50253 5 440 . 1 . 1 107 107 LYS N N 15 121.848000 . . . . . . . . 107 K N . 50253 5 441 . 1 . 1 108 108 HIS H H 1 8.216000 . . . . . . . . 108 H HN . 50253 5 442 . 1 . 1 108 108 HIS HA H 1 4.574000 . . . . . . . . 108 H HA . 50253 5 443 . 1 . 1 108 108 HIS C C 13 174.810000 . . . . . . . . 108 H CO . 50253 5 444 . 1 . 1 108 108 HIS CA C 13 55.949000 . . . . . . . . 108 H CA . 50253 5 445 . 1 . 1 108 108 HIS CB C 13 30.797000 . . . . . . . . 108 H CB . 50253 5 446 . 1 . 1 108 108 HIS N N 15 120.067000 . . . . . . . . 108 H N . 50253 5 447 . 1 . 1 109 109 ALA H H 1 8.270000 . . . . . . . . 109 A HN . 50253 5 448 . 1 . 1 109 109 ALA HA H 1 4.323000 . . . . . . . . 109 A HA . 50253 5 449 . 1 . 1 109 109 ALA C C 13 177.429000 . . . . . . . . 109 A CO . 50253 5 450 . 1 . 1 109 109 ALA CA C 13 52.272000 . . . . . . . . 109 A CA . 50253 5 451 . 1 . 1 109 109 ALA CB C 13 19.423000 . . . . . . . . 109 A CB . 50253 5 452 . 1 . 1 109 109 ALA N N 15 125.692000 . . . . . . . . 109 A N . 50253 5 453 . 1 . 1 110 110 VAL H H 1 8.191000 . . . . . . . . 110 V HN . 50253 5 454 . 1 . 1 110 110 VAL HA H 1 4.084000 . . . . . . . . 110 V HA . 50253 5 455 . 1 . 1 110 110 VAL C C 13 176.713000 . . . . . . . . 110 V CO . 50253 5 456 . 1 . 1 110 110 VAL CA C 13 62.457000 . . . . . . . . 110 V CA . 50253 5 457 . 1 . 1 110 110 VAL CB C 13 32.817000 . . . . . . . . 110 V CB . 50253 5 458 . 1 . 1 110 110 VAL N N 15 119.338000 . . . . . . . . 110 V N . 50253 5 459 . 1 . 1 111 111 GLY H H 1 8.478000 . . . . . . . . 111 G HN . 50253 5 460 . 1 . 1 111 111 GLY HA2 H 1 3.951000 . . . . . . . . 111 G HA . 50253 5 461 . 1 . 1 111 111 GLY HA3 H 1 3.951000 . . . . . . . . 111 G HA . 50253 5 462 . 1 . 1 111 111 GLY C C 13 174.062000 . . . . . . . . 111 G CO . 50253 5 463 . 1 . 1 111 111 GLY CA C 13 45.187000 . . . . . . . . 111 G CA . 50253 5 464 . 1 . 1 111 111 GLY N N 15 112.401000 . . . . . . . . 111 G N . 50253 5 465 . 1 . 1 112 112 ASP H H 1 8.270000 . . . . . . . . 112 D HN . 50253 5 466 . 1 . 1 112 112 ASP HA H 1 4.572000 . . . . . . . . 112 D HA . 50253 5 467 . 1 . 1 112 112 ASP C C 13 176.232000 . . . . . . . . 112 D CO . 50253 5 468 . 1 . 1 112 112 ASP CA C 13 54.617000 . . . . . . . . 112 D CA . 50253 5 469 . 1 . 1 112 112 ASP CB C 13 41.251000 . . . . . . . . 112 D CB . 50253 5 470 . 1 . 1 112 112 ASP N N 15 120.900000 . . . . . . . . 112 D N . 50253 5 471 . 1 . 1 113 113 ASP H H 1 8.349000 . . . . . . . . 113 D HN . 50253 5 472 . 1 . 1 113 113 ASP HA H 1 4.515000 . . . . . . . . 113 D HA . 50253 5 473 . 1 . 1 113 113 ASP C C 13 176.249000 . . . . . . . . 113 D CO . 50253 5 474 . 1 . 1 113 113 ASP CA C 13 54.541000 . . . . . . . . 113 D CA . 50253 5 475 . 1 . 1 113 113 ASP CB C 13 40.948000 . . . . . . . . 113 D CB . 50253 5 476 . 1 . 1 113 113 ASP N N 15 120.298000 . . . . . . . . 113 D N . 50253 5 477 . 1 . 1 114 114 ALA H H 1 8.120000 . . . . . . . . 114 A HN . 50253 5 478 . 1 . 1 114 114 ALA HA H 1 4.196000 . . . . . . . . 114 A HA . 50253 5 479 . 1 . 1 114 114 ALA C C 13 177.724000 . . . . . . . . 114 A CO . 50253 5 480 . 1 . 1 114 114 ALA CA C 13 52.881000 . . . . . . . . 114 A CA . 50253 5 481 . 1 . 1 114 114 ALA CB C 13 19.037000 . . . . . . . . 114 A CB . 50253 5 482 . 1 . 1 114 114 ALA N N 15 123.881000 . . . . . . . . 114 A N . 50253 5 483 . 1 . 1 115 115 GLN H H 1 8.170000 . . . . . . . . 115 Q HN . 50253 5 484 . 1 . 1 115 115 GLN HA H 1 4.198000 . . . . . . . . 115 Q HA . 50253 5 485 . 1 . 1 115 115 GLN C C 13 175.678000 . . . . . . . . 115 Q CO . 50253 5 486 . 1 . 1 115 115 GLN CA C 13 55.935000 . . . . . . . . 115 Q CA . 50253 5 487 . 1 . 1 115 115 GLN CB C 13 29.325000 . . . . . . . . 115 Q CB . 50253 5 488 . 1 . 1 115 115 GLN N N 15 118.610000 . . . . . . . . 115 Q N . 50253 5 489 . 1 . 1 116 116 PHE H H 1 8.081000 . . . . . . . . 116 F HN . 50253 5 490 . 1 . 1 116 116 PHE HA H 1 4.614000 . . . . . . . . 116 F HA . 50253 5 491 . 1 . 1 116 116 PHE C C 13 175.538000 . . . . . . . . 116 F CO . 50253 5 492 . 1 . 1 116 116 PHE CA C 13 57.576000 . . . . . . . . 116 F CA . 50253 5 493 . 1 . 1 116 116 PHE CB C 13 39.672000 . . . . . . . . 116 F CB . 50253 5 494 . 1 . 1 116 116 PHE N N 15 120.664000 . . . . . . . . 116 F N . 50253 5 495 . 1 . 1 117 117 GLU H H 1 8.269000 . . . . . . . . 117 E HN . 50253 5 496 . 1 . 1 117 117 GLU HA H 1 4.224000 . . . . . . . . 117 E HA . 50253 5 497 . 1 . 1 117 117 GLU C C 13 175.919000 . . . . . . . . 117 E CO . 50253 5 498 . 1 . 1 117 117 GLU CA C 13 56.482000 . . . . . . . . 117 E CA . 50253 5 499 . 1 . 1 117 117 GLU CB C 13 30.366000 . . . . . . . . 117 E CB . 50253 5 500 . 1 . 1 117 117 GLU N N 15 122.191000 . . . . . . . . 117 E N . 50253 5 501 . 1 . 1 118 118 MET H H 1 8.261000 . . . . . . . . 118 M HN . 50253 5 502 . 1 . 1 118 118 MET HA H 1 4.438000 . . . . . . . . 118 M HA . 50253 5 503 . 1 . 1 118 118 MET CA C 13 55.394000 . . . . . . . . 118 M CA . 50253 5 504 . 1 . 1 118 118 MET CB C 13 33.355000 . . . . . . . . 118 M CB . 50253 5 505 . 1 . 1 118 118 MET N N 15 120.963000 . . . . . . . . 118 M N . 50253 5 506 . 1 . 1 119 119 ASP H H 1 8.430000 . . . . . . . . 119 D HN . 50253 5 507 . 1 . 1 119 119 ASP HA H 1 4.628000 . . . . . . . . 119 D HA . 50253 5 508 . 1 . 1 119 119 ASP C C 13 174.961000 . . . . . . . . 119 D CO . 50253 5 509 . 1 . 1 119 119 ASP CA C 13 54.451000 . . . . . . . . 119 D CA . 50253 5 510 . 1 . 1 119 119 ASP CB C 13 40.879000 . . . . . . . . 119 D CB . 50253 5 511 . 1 . 1 119 119 ASP N N 15 122.398000 . . . . . . . . 119 D N . 50253 5 512 . 1 . 1 120 120 ILE H H 1 7.593000 . . . . . . . . 120 I HN . 50253 5 513 . 1 . 1 120 120 ILE CA C 13 62.734000 . . . . . . . . 120 I CA . 50253 5 514 . 1 . 1 120 120 ILE CB C 13 39.804000 . . . . . . . . 120 I CB . 50253 5 515 . 1 . 1 120 120 ILE N N 15 124.688000 . . . . . . . . 120 I N . 50253 5 stop_ save_