data_51419 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51419 _Entry.Title ; Backbone chemical shift assignments of R86A mutant of the Akt1 PH domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-04-26 _Entry.Accession_date 2022-04-26 _Entry.Last_release_date 2022-04-27 _Entry.Original_release_date 2022-04-27 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Thibault Viennet . . . 0000-0001-5349-0179 51419 2 Hwan Bae . . . 0000-0001-5252-252X 51419 3 Nam Chu . . . 0000-0001-9717-5007 51419 4 Philip Cole . A. . . 51419 5 Haribabu Arthanari . . . 0000-0002-7281-1289 51419 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51419 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 283 51419 '15N chemical shifts' 94 51419 '1H chemical shifts' 184 51419 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2022-10-11 . original BMRB . 51419 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51419 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35968932 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; PH domain-mediated autoinhibition and oncogenic activation of Akt ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev eLife _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 e80148 _Citation.Page_last e80148 _Citation.Year 2022 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Hwan Bae . . . . 51419 1 2 Thibault Viennet . . . . 51419 1 3 Eunyoung Park . . . . 51419 1 4 Nam Chu . . . . 51419 1 5 Antonieta Salguero . . . . 51419 1 6 Michael Eck . . . . 51419 1 7 Haribabu Arthanari . . . . 51419 1 8 Philip Cole . A. . . 51419 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Akt; kinase; autoinhibition; oncogene; NMR; segmental labeling' 51419 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51419 _Assembly.ID 1 _Assembly.Name Akt_PH_R86A _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 14436 _Assembly.Enzyme_commission_number 2.7.11.1 _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 Akt_PH_R86A 1 $entity_1 . . yes native no no . . . 51419 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51419 _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 ; MSDVAIVKEGWLHKRGEYIK TWRPRYFLLKNDGTFIGYKE RPQDVDQREAPLNNFSVAQC QLMKTERPRPNTFIIRCLQW TTVIEATFHVETPEEREEWT TAIQTVADGLKKQEEEEMDF R ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 121 _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 R86A _Entity.EC_number 2.7.11.1 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14436 _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 . 51419 1 2 . SER . 51419 1 3 . ASP . 51419 1 4 . VAL . 51419 1 5 . ALA . 51419 1 6 . ILE . 51419 1 7 . VAL . 51419 1 8 . LYS . 51419 1 9 . GLU . 51419 1 10 . GLY . 51419 1 11 . TRP . 51419 1 12 . LEU . 51419 1 13 . HIS . 51419 1 14 . LYS . 51419 1 15 . ARG . 51419 1 16 . GLY . 51419 1 17 . GLU . 51419 1 18 . TYR . 51419 1 19 . ILE . 51419 1 20 . LYS . 51419 1 21 . THR . 51419 1 22 . TRP . 51419 1 23 . ARG . 51419 1 24 . PRO . 51419 1 25 . ARG . 51419 1 26 . TYR . 51419 1 27 . PHE . 51419 1 28 . LEU . 51419 1 29 . LEU . 51419 1 30 . LYS . 51419 1 31 . ASN . 51419 1 32 . ASP . 51419 1 33 . GLY . 51419 1 34 . THR . 51419 1 35 . PHE . 51419 1 36 . ILE . 51419 1 37 . GLY . 51419 1 38 . TYR . 51419 1 39 . LYS . 51419 1 40 . GLU . 51419 1 41 . ARG . 51419 1 42 . PRO . 51419 1 43 . GLN . 51419 1 44 . ASP . 51419 1 45 . VAL . 51419 1 46 . ASP . 51419 1 47 . GLN . 51419 1 48 . ARG . 51419 1 49 . GLU . 51419 1 50 . ALA . 51419 1 51 . PRO . 51419 1 52 . LEU . 51419 1 53 . ASN . 51419 1 54 . ASN . 51419 1 55 . PHE . 51419 1 56 . SER . 51419 1 57 . VAL . 51419 1 58 . ALA . 51419 1 59 . GLN . 51419 1 60 . CYS . 51419 1 61 . GLN . 51419 1 62 . LEU . 51419 1 63 . MET . 51419 1 64 . LYS . 51419 1 65 . THR . 51419 1 66 . GLU . 51419 1 67 . ARG . 51419 1 68 . PRO . 51419 1 69 . ARG . 51419 1 70 . PRO . 51419 1 71 . ASN . 51419 1 72 . THR . 51419 1 73 . PHE . 51419 1 74 . ILE . 51419 1 75 . ILE . 51419 1 76 . ARG . 51419 1 77 . CYS . 51419 1 78 . LEU . 51419 1 79 . GLN . 51419 1 80 . TRP . 51419 1 81 . THR . 51419 1 82 . THR . 51419 1 83 . VAL . 51419 1 84 . ILE . 51419 1 85 . GLU . 51419 1 86 . ALA . 51419 1 87 . THR . 51419 1 88 . PHE . 51419 1 89 . HIS . 51419 1 90 . VAL . 51419 1 91 . GLU . 51419 1 92 . THR . 51419 1 93 . PRO . 51419 1 94 . GLU . 51419 1 95 . GLU . 51419 1 96 . ARG . 51419 1 97 . GLU . 51419 1 98 . GLU . 51419 1 99 . TRP . 51419 1 100 . THR . 51419 1 101 . THR . 51419 1 102 . ALA . 51419 1 103 . ILE . 51419 1 104 . GLN . 51419 1 105 . THR . 51419 1 106 . VAL . 51419 1 107 . ALA . 51419 1 108 . ASP . 51419 1 109 . GLY . 51419 1 110 . LEU . 51419 1 111 . LYS . 51419 1 112 . LYS . 51419 1 113 . GLN . 51419 1 114 . GLU . 51419 1 115 . GLU . 51419 1 116 . GLU . 51419 1 117 . GLU . 51419 1 118 . MET . 51419 1 119 . ASP . 51419 1 120 . PHE . 51419 1 121 . ARG . 51419 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 51419 1 . SER 2 2 51419 1 . ASP 3 3 51419 1 . VAL 4 4 51419 1 . ALA 5 5 51419 1 . ILE 6 6 51419 1 . VAL 7 7 51419 1 . LYS 8 8 51419 1 . GLU 9 9 51419 1 . GLY 10 10 51419 1 . TRP 11 11 51419 1 . LEU 12 12 51419 1 . HIS 13 13 51419 1 . LYS 14 14 51419 1 . ARG 15 15 51419 1 . GLY 16 16 51419 1 . GLU 17 17 51419 1 . TYR 18 18 51419 1 . ILE 19 19 51419 1 . LYS 20 20 51419 1 . THR 21 21 51419 1 . TRP 22 22 51419 1 . ARG 23 23 51419 1 . PRO 24 24 51419 1 . ARG 25 25 51419 1 . TYR 26 26 51419 1 . PHE 27 27 51419 1 . LEU 28 28 51419 1 . LEU 29 29 51419 1 . LYS 30 30 51419 1 . ASN 31 31 51419 1 . ASP 32 32 51419 1 . GLY 33 33 51419 1 . THR 34 34 51419 1 . PHE 35 35 51419 1 . ILE 36 36 51419 1 . GLY 37 37 51419 1 . TYR 38 38 51419 1 . LYS 39 39 51419 1 . GLU 40 40 51419 1 . ARG 41 41 51419 1 . PRO 42 42 51419 1 . GLN 43 43 51419 1 . ASP 44 44 51419 1 . VAL 45 45 51419 1 . ASP 46 46 51419 1 . GLN 47 47 51419 1 . ARG 48 48 51419 1 . GLU 49 49 51419 1 . ALA 50 50 51419 1 . PRO 51 51 51419 1 . LEU 52 52 51419 1 . ASN 53 53 51419 1 . ASN 54 54 51419 1 . PHE 55 55 51419 1 . SER 56 56 51419 1 . VAL 57 57 51419 1 . ALA 58 58 51419 1 . GLN 59 59 51419 1 . CYS 60 60 51419 1 . GLN 61 61 51419 1 . LEU 62 62 51419 1 . MET 63 63 51419 1 . LYS 64 64 51419 1 . THR 65 65 51419 1 . GLU 66 66 51419 1 . ARG 67 67 51419 1 . PRO 68 68 51419 1 . ARG 69 69 51419 1 . PRO 70 70 51419 1 . ASN 71 71 51419 1 . THR 72 72 51419 1 . PHE 73 73 51419 1 . ILE 74 74 51419 1 . ILE 75 75 51419 1 . ARG 76 76 51419 1 . CYS 77 77 51419 1 . LEU 78 78 51419 1 . GLN 79 79 51419 1 . TRP 80 80 51419 1 . THR 81 81 51419 1 . THR 82 82 51419 1 . VAL 83 83 51419 1 . ILE 84 84 51419 1 . GLU 85 85 51419 1 . ALA 86 86 51419 1 . THR 87 87 51419 1 . PHE 88 88 51419 1 . HIS 89 89 51419 1 . VAL 90 90 51419 1 . GLU 91 91 51419 1 . THR 92 92 51419 1 . PRO 93 93 51419 1 . GLU 94 94 51419 1 . GLU 95 95 51419 1 . ARG 96 96 51419 1 . GLU 97 97 51419 1 . GLU 98 98 51419 1 . TRP 99 99 51419 1 . THR 100 100 51419 1 . THR 101 101 51419 1 . ALA 102 102 51419 1 . ILE 103 103 51419 1 . GLN 104 104 51419 1 . THR 105 105 51419 1 . VAL 106 106 51419 1 . ALA 107 107 51419 1 . ASP 108 108 51419 1 . GLY 109 109 51419 1 . LEU 110 110 51419 1 . LYS 111 111 51419 1 . LYS 112 112 51419 1 . GLN 113 113 51419 1 . GLU 114 114 51419 1 . GLU 115 115 51419 1 . GLU 116 116 51419 1 . GLU 117 117 51419 1 . MET 118 118 51419 1 . ASP 119 119 51419 1 . PHE 120 120 51419 1 . ARG 121 121 51419 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 51419 _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 . . . . . . . . . . . . . 51419 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 51419 _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 Rosetta DE3/pLysS . plasmid . . pTXB1 . . . 51419 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51419 _Sample.ID 1 _Sample.Name 'R86A PH domain' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 Akt_PH_R86A '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 600 . . uM . . . . 51419 1 2 HEPES 'natural abundance' . . . . . . 25 . . mM . . . . 51419 1 3 'sodium chloride' 'natural abundance' . . . . . . 500 . . mM . . . . 51419 1 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 51419 1 5 D2O [U-2H] . . . . . . 5 . . % . . . . 51419 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 51419 _Sample_condition_list.ID 1 _Sample_condition_list.Name Akt_PH_R86A _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.529 . M 51419 1 pH 6.5 . pH 51419 1 pressure 1 . atm 51419 1 temperature 286 . K 51419 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51419 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51419 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 51419 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name MIT750 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 51419 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51419 1 2 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51419 1 3 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51419 1 4 '3D HNCACO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51419 1 5 '3D HN(CO)CA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51419 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 51419 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Akt_PH_R86A _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 'methyl carbons' . . . . ppm 54 internal direct 1 . . . . . 51419 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 51419 1 N 15 water nitrogen . . . . ppm 118 internal direct 1 . . . . . 51419 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 51419 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Backbone chemical shifts of Akt1 PH domain R86A mutant' _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 '3D HNCO' . . . 51419 1 2 '3D HNCA' . . . 51419 1 3 '3D HNCACB' . . . 51419 1 4 '3D HNCACO' . . . 51419 1 5 '3D HN(CO)CA' . . . 51419 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 . . 51419 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET C C 13 174.747 0.1 . 1 . . . . . 1 M C . 51419 1 2 . 1 . 1 1 1 MET CA C 13 53.236 0.2 . 1 . . . . . 1 M CA . 51419 1 3 . 1 . 1 2 2 SER H H 1 8.251 0.02 . 1 . . . . . 2 S H . 51419 1 4 . 1 . 1 2 2 SER HA H 1 5.140 0.1 . 1 . . . . . 2 S HA . 51419 1 5 . 1 . 1 2 2 SER C C 13 171.833 0.1 . 1 . . . . . 2 S C . 51419 1 6 . 1 . 1 2 2 SER CA C 13 55.304 0.2 . 1 . . . . . 2 S CA . 51419 1 7 . 1 . 1 2 2 SER CB C 13 60.421 0.5 . 1 . . . . . 2 S CB . 51419 1 8 . 1 . 1 2 2 SER N N 15 122.340 0.1 . 1 . . . . . 2 S N . 51419 1 9 . 1 . 1 3 3 ASP H H 1 8.408 0.02 . 1 . . . . . 3 D H . 51419 1 10 . 1 . 1 3 3 ASP HA H 1 4.749 0.1 . 1 . . . . . 3 D HA . 51419 1 11 . 1 . 1 3 3 ASP C C 13 173.151 0.1 . 1 . . . . . 3 D C . 51419 1 12 . 1 . 1 3 3 ASP CA C 13 51.016 0.2 . 1 . . . . . 3 D CA . 51419 1 13 . 1 . 1 3 3 ASP CB C 13 37.593 0.5 . 1 . . . . . 3 D CB . 51419 1 14 . 1 . 1 3 3 ASP N N 15 122.779 0.1 . 1 . . . . . 3 D N . 51419 1 15 . 1 . 1 4 4 VAL H H 1 8.188 0.02 . 1 . . . . . 4 V H . 51419 1 16 . 1 . 1 4 4 VAL HA H 1 4.308 0.1 . 1 . . . . . 4 V HA . 51419 1 17 . 1 . 1 4 4 VAL C C 13 172.511 0.1 . 1 . . . . . 4 V C . 51419 1 18 . 1 . 1 4 4 VAL CA C 13 59.361 0.2 . 1 . . . . . 4 V CA . 51419 1 19 . 1 . 1 4 4 VAL CB C 13 28.537 0.5 . 1 . . . . . 4 V CB . 51419 1 20 . 1 . 1 4 4 VAL N N 15 123.343 0.1 . 1 . . . . . 4 V N . 51419 1 21 . 1 . 1 5 5 ALA H H 1 8.063 0.02 . 1 . . . . . 5 A H . 51419 1 22 . 1 . 1 5 5 ALA HA H 1 4.588 0.1 . 1 . . . . . 5 A HA . 51419 1 23 . 1 . 1 5 5 ALA C C 13 173.999 0.1 . 1 . . . . . 5 A C . 51419 1 24 . 1 . 1 5 5 ALA CA C 13 47.882 0.2 . 1 . . . . . 5 A CA . 51419 1 25 . 1 . 1 5 5 ALA CB C 13 17.779 0.5 . 1 . . . . . 5 A CB . 51419 1 26 . 1 . 1 5 5 ALA N N 15 129.356 0.1 . 1 . . . . . 5 A N . 51419 1 27 . 1 . 1 6 6 ILE H H 1 8.443 0.02 . 1 . . . . . 6 I H . 51419 1 28 . 1 . 1 6 6 ILE HA H 1 4.069 0.1 . 1 . . . . . 6 I HA . 51419 1 29 . 1 . 1 6 6 ILE C C 13 173.649 0.1 . 1 . . . . . 6 I C . 51419 1 30 . 1 . 1 6 6 ILE CA C 13 58.795 0.2 . 1 . . . . . 6 I CA . 51419 1 31 . 1 . 1 6 6 ILE CB C 13 34.630 0.5 . 1 . . . . . 6 I CB . 51419 1 32 . 1 . 1 6 6 ILE N N 15 121.228 0.1 . 1 . . . . . 6 I N . 51419 1 33 . 1 . 1 7 7 VAL H H 1 9.297 0.02 . 1 . . . . . 7 V H . 51419 1 34 . 1 . 1 7 7 VAL HA H 1 3.977 0.1 . 1 . . . . . 7 V HA . 51419 1 35 . 1 . 1 7 7 VAL C C 13 172.918 0.1 . 1 . . . . . 7 V C . 51419 1 36 . 1 . 1 7 7 VAL CA C 13 60.288 0.2 . 1 . . . . . 7 V CA . 51419 1 37 . 1 . 1 7 7 VAL CB C 13 29.448 0.5 . 1 . . . . . 7 V CB . 51419 1 38 . 1 . 1 7 7 VAL N N 15 129.989 0.1 . 1 . . . . . 7 V N . 51419 1 39 . 1 . 1 8 8 LYS H H 1 7.474 0.02 . 1 . . . . . 8 K H . 51419 1 40 . 1 . 1 8 8 LYS C C 13 177.17 0.1 . 1 . . . . . 8 K C . 51419 1 41 . 1 . 1 8 8 LYS CA C 13 52.688 0.2 . 1 . . . . . 8 K CA . 51419 1 42 . 1 . 1 8 8 LYS CB C 13 31.790 0.5 . 1 . . . . . 8 K CB . 51419 1 43 . 1 . 1 8 8 LYS N N 15 120.513 0.1 . 1 . . . . . 8 K N . 51419 1 44 . 1 . 1 9 9 GLU H H 1 8.192 0.02 . 1 . . . . . 9 E H . 51419 1 45 . 1 . 1 9 9 GLU C C 13 171.849 0.1 . 1 . . . . . 9 E C . 51419 1 46 . 1 . 1 9 9 GLU CA C 13 50.503 0.2 . 1 . . . . . 9 E CA . 51419 1 47 . 1 . 1 9 9 GLU CB C 13 30.574 0.5 . 1 . . . . . 9 E CB . 51419 1 48 . 1 . 1 9 9 GLU N N 15 121.502 0.1 . 1 . . . . . 9 E N . 51419 1 49 . 1 . 1 10 10 GLY H H 1 8.303 0.02 . 1 . . . . . 10 G H . 51419 1 50 . 1 . 1 10 10 GLY HA2 H 1 4.077 0.1 . 1 . . . . . 10 G HA . 51419 1 51 . 1 . 1 10 10 GLY HA3 H 1 4.077 0.1 . 1 . . . . . 10 G HA . 51419 1 52 . 1 . 1 10 10 GLY C C 13 167.922 0.1 . 1 . . . . . 10 G C . 51419 1 53 . 1 . 1 10 10 GLY CA C 13 42.064 0.2 . 1 . . . . . 10 G CA . 51419 1 54 . 1 . 1 10 10 GLY N N 15 107.992 0.1 . 1 . . . . . 10 G N . 51419 1 55 . 1 . 1 11 11 TRP H H 1 8.663 0.02 . 1 . . . . . 11 W H . 51419 1 56 . 1 . 1 11 11 TRP HA H 1 5.050 0.1 . 1 . . . . . 11 W HA . 51419 1 57 . 1 . 1 11 11 TRP CA C 13 54.597 0.2 . 1 . . . . . 11 W CA . 51419 1 58 . 1 . 1 11 11 TRP CB C 13 26.865 0.5 . 1 . . . . . 11 W CB . 51419 1 59 . 1 . 1 11 11 TRP N N 15 119.301 0.1 . 1 . . . . . 11 W N . 51419 1 60 . 1 . 1 12 12 LEU H H 1 9.531 0.02 . 1 . . . . . 12 L H . 51419 1 61 . 1 . 1 12 12 LEU HA H 1 4.829 0.1 . 1 . . . . . 12 L HA . 51419 1 62 . 1 . 1 12 12 LEU C C 13 173.091 0.1 . 1 . . . . . 12 L C . 51419 1 63 . 1 . 1 12 12 LEU CA C 13 50.730 0.2 . 1 . . . . . 12 L CA . 51419 1 64 . 1 . 1 12 12 LEU CB C 13 43.611 0.5 . 1 . . . . . 12 L CB . 51419 1 65 . 1 . 1 12 12 LEU N N 15 123.248 0.1 . 1 . . . . . 12 L N . 51419 1 66 . 1 . 1 13 13 HIS H H 1 7.976 0.02 . 1 . . . . . 13 H H . 51419 1 67 . 1 . 1 13 13 HIS HA H 1 5.251 0.1 . 1 . . . . . 13 H HA . 51419 1 68 . 1 . 1 13 13 HIS C C 13 171.903 0.1 . 1 . . . . . 13 H C . 51419 1 69 . 1 . 1 13 13 HIS CA C 13 53.002 0.2 . 1 . . . . . 13 H CA . 51419 1 70 . 1 . 1 13 13 HIS CB C 13 27.991 0.5 . 1 . . . . . 13 H CB . 51419 1 71 . 1 . 1 13 13 HIS N N 15 119.327 0.1 . 1 . . . . . 13 H N . 51419 1 72 . 1 . 1 14 14 LYS H H 1 9.429 0.02 . 1 . . . . . 14 K H . 51419 1 73 . 1 . 1 14 14 LYS HA H 1 5.094 0.1 . 1 . . . . . 14 K HA . 51419 1 74 . 1 . 1 14 14 LYS C C 13 173.186 0.1 . 1 . . . . . 14 K C . 51419 1 75 . 1 . 1 14 14 LYS CA C 13 51.343 0.2 . 1 . . . . . 14 K CA . 51419 1 76 . 1 . 1 14 14 LYS CB C 13 27.927 0.5 . 1 . . . . . 14 K CB . 51419 1 77 . 1 . 1 14 14 LYS N N 15 127.375 0.1 . 1 . . . . . 14 K N . 51419 1 78 . 1 . 1 15 15 ARG H H 1 8.152 0.02 . 1 . . . . . 15 R H . 51419 1 79 . 1 . 1 15 15 ARG HA H 1 3.704 0.1 . 1 . . . . . 15 R HA . 51419 1 80 . 1 . 1 15 15 ARG C C 13 174.262 0.1 . 1 . . . . . 15 R C . 51419 1 81 . 1 . 1 15 15 ARG CA C 13 52.772 0.2 . 1 . . . . . 15 R CA . 51419 1 82 . 1 . 1 15 15 ARG CB C 13 26.294 0.5 . 1 . . . . . 15 R CB . 51419 1 83 . 1 . 1 15 15 ARG N N 15 133.298 0.1 . 1 . . . . . 15 R N . 51419 1 84 . 1 . 1 16 16 GLY H H 1 8.427 0.02 . 1 . . . . . 16 G H . 51419 1 85 . 1 . 1 16 16 GLY HA2 H 1 4.226 0.1 . 1 . . . . . 16 G HA . 51419 1 86 . 1 . 1 16 16 GLY HA3 H 1 4.226 0.1 . 1 . . . . . 16 G HA . 51419 1 87 . 1 . 1 16 16 GLY C C 13 170.483 0.1 . 1 . . . . . 16 G C . 51419 1 88 . 1 . 1 16 16 GLY CA C 13 42.306 0.2 . 1 . . . . . 16 G CA . 51419 1 89 . 1 . 1 16 16 GLY N N 15 115.973 0.1 . 1 . . . . . 16 G N . 51419 1 90 . 1 . 1 17 17 GLU H H 1 8.273 0.02 . 1 . . . . . 17 E H . 51419 1 91 . 1 . 1 17 17 GLU HA H 1 3.926 0.1 . 1 . . . . . 17 E HA . 51419 1 92 . 1 . 1 17 17 GLU C C 13 173.960 0.1 . 1 . . . . . 17 E C . 51419 1 93 . 1 . 1 17 17 GLU CA C 13 55.122 0.2 . 1 . . . . . 17 E CA . 51419 1 94 . 1 . 1 17 17 GLU CB C 13 26.683 0.5 . 1 . . . . . 17 E CB . 51419 1 95 . 1 . 1 17 17 GLU N N 15 122.506 0.1 . 1 . . . . . 17 E N . 51419 1 96 . 1 . 1 18 18 TYR H H 1 8.062 0.02 . 1 . . . . . 18 Y H . 51419 1 97 . 1 . 1 18 18 TYR HA H 1 4.625 0.1 . 1 . . . . . 18 Y HA . 51419 1 98 . 1 . 1 18 18 TYR C C 13 173.155 0.1 . 1 . . . . . 18 Y C . 51419 1 99 . 1 . 1 18 18 TYR CA C 13 54.968 0.2 . 1 . . . . . 18 Y CA . 51419 1 100 . 1 . 1 18 18 TYR N N 15 118.180 0.1 . 1 . . . . . 18 Y N . 51419 1 101 . 1 . 1 19 19 ILE H H 1 7.740 0.02 . 1 . . . . . 19 I H . 51419 1 102 . 1 . 1 19 19 ILE HA H 1 4.077 0.1 . 1 . . . . . 19 I HA . 51419 1 103 . 1 . 1 19 19 ILE C C 13 173.243 0.1 . 1 . . . . . 19 I C . 51419 1 104 . 1 . 1 19 19 ILE CA C 13 57.907 0.2 . 1 . . . . . 19 I CA . 51419 1 105 . 1 . 1 19 19 ILE CB C 13 35.146 0.5 . 1 . . . . . 19 I CB . 51419 1 106 . 1 . 1 19 19 ILE N N 15 121.039 0.1 . 1 . . . . . 19 I N . 51419 1 107 . 1 . 1 20 20 LYS H H 1 8.998 0.02 . 1 . . . . . 20 K H . 51419 1 108 . 1 . 1 20 20 LYS HA H 1 4.146 0.1 . 1 . . . . . 20 K HA . 51419 1 109 . 1 . 1 20 20 LYS CA C 13 53.144 0.2 . 1 . . . . . 20 K CA . 51419 1 110 . 1 . 1 20 20 LYS N N 15 126.123 0.1 . 1 . . . . . 20 K N . 51419 1 111 . 1 . 1 21 21 THR H H 1 7.539 0.02 . 1 . . . . . 21 T H . 51419 1 112 . 1 . 1 21 21 THR HA H 1 4.497 0.1 . 1 . . . . . 21 T HA . 51419 1 113 . 1 . 1 21 21 THR C C 13 170.564 0.1 . 1 . . . . . 21 T C . 51419 1 114 . 1 . 1 21 21 THR CA C 13 57.315 0.2 . 1 . . . . . 21 T CA . 51419 1 115 . 1 . 1 21 21 THR CB C 13 67.134 0.5 . 1 . . . . . 21 T CB . 51419 1 116 . 1 . 1 21 21 THR N N 15 115.166 0.1 . 1 . . . . . 21 T N . 51419 1 117 . 1 . 1 22 22 TRP H H 1 8.614 0.02 . 1 . . . . . 22 W H . 51419 1 118 . 1 . 1 22 22 TRP HA H 1 4.919 0.1 . 1 . . . . . 22 W HA . 51419 1 119 . 1 . 1 22 22 TRP C C 13 173.406 0.1 . 1 . . . . . 22 W C . 51419 1 120 . 1 . 1 22 22 TRP CA C 13 52.814 0.2 . 1 . . . . . 22 W CA . 51419 1 121 . 1 . 1 22 22 TRP CB C 13 27.190 0.5 . 1 . . . . . 22 W CB . 51419 1 122 . 1 . 1 22 22 TRP N N 15 124.585 0.1 . 1 . . . . . 22 W N . 51419 1 123 . 1 . 1 23 23 ARG H H 1 8.798 0.02 . 1 . . . . . 23 R H . 51419 1 124 . 1 . 1 23 23 ARG C C 13 171.172 0.1 . 1 . . . . . 23 R C . 51419 1 125 . 1 . 1 23 23 ARG CA C 13 49.493 0.2 . 1 . . . . . 23 R CA . 51419 1 126 . 1 . 1 23 23 ARG CB C 13 27.772 0.5 . 1 . . . . . 23 R CB . 51419 1 127 . 1 . 1 23 23 ARG N N 15 122.828 0.1 . 1 . . . . . 23 R N . 51419 1 128 . 1 . 1 24 24 PRO HA H 1 5.007 0.1 . 1 . . . . . 24 P HA . 51419 1 129 . 1 . 1 24 24 PRO C C 13 175.298 0.1 . 1 . . . . . 24 P C . 51419 1 130 . 1 . 1 24 24 PRO CA C 13 59.404 0.2 . 1 . . . . . 24 P CA . 51419 1 131 . 1 . 1 24 24 PRO CB C 13 28.007 0.5 . 1 . . . . . 24 P CB . 51419 1 132 . 1 . 1 25 25 ARG H H 1 9.652 0.02 . 1 . . . . . 25 R H . 51419 1 133 . 1 . 1 25 25 ARG HA H 1 5.022 0.1 . 1 . . . . . 25 R HA . 51419 1 134 . 1 . 1 25 25 ARG C C 13 169.813 0.1 . 1 . . . . . 25 R C . 51419 1 135 . 1 . 1 25 25 ARG CA C 13 51.142 0.2 . 1 . . . . . 25 R CA . 51419 1 136 . 1 . 1 25 25 ARG CB C 13 32.674 0.5 . 1 . . . . . 25 R CB . 51419 1 137 . 1 . 1 25 25 ARG N N 15 127.282 0.1 . 1 . . . . . 25 R N . 51419 1 138 . 1 . 1 26 26 TYR H H 1 8.803 0.02 . 1 . . . . . 26 Y H . 51419 1 139 . 1 . 1 26 26 TYR HA H 1 4.086 0.1 . 1 . . . . . 26 Y HA . 51419 1 140 . 1 . 1 26 26 TYR C C 13 171.994 0.1 . 1 . . . . . 26 Y C . 51419 1 141 . 1 . 1 26 26 TYR CA C 13 54.898 0.2 . 1 . . . . . 26 Y CA . 51419 1 142 . 1 . 1 26 26 TYR CB C 13 34.382 0.5 . 1 . . . . . 26 Y CB . 51419 1 143 . 1 . 1 26 26 TYR N N 15 128.033 0.1 . 1 . . . . . 26 Y N . 51419 1 144 . 1 . 1 27 27 PHE H H 1 8.494 0.02 . 1 . . . . . 27 F H . 51419 1 145 . 1 . 1 27 27 PHE HA H 1 5.691 0.1 . 1 . . . . . 27 F HA . 51419 1 146 . 1 . 1 27 27 PHE C C 13 172.374 0.1 . 1 . . . . . 27 F C . 51419 1 147 . 1 . 1 27 27 PHE CA C 13 52.520 0.2 . 1 . . . . . 27 F CA . 51419 1 148 . 1 . 1 27 27 PHE CB C 13 40.596 0.5 . 1 . . . . . 27 F CB . 51419 1 149 . 1 . 1 27 27 PHE N N 15 129.261 0.1 . 1 . . . . . 27 F N . 51419 1 150 . 1 . 1 28 28 LEU H H 1 9.091 0.02 . 1 . . . . . 28 L H . 51419 1 151 . 1 . 1 28 28 LEU HA H 1 5.077 0.1 . 1 . . . . . 28 L HA . 51419 1 152 . 1 . 1 28 28 LEU C C 13 172.257 0.1 . 1 . . . . . 28 L C . 51419 1 153 . 1 . 1 28 28 LEU CA C 13 51.927 0.2 . 1 . . . . . 28 L CA . 51419 1 154 . 1 . 1 28 28 LEU CB C 13 40.922 0.5 . 1 . . . . . 28 L CB . 51419 1 155 . 1 . 1 28 28 LEU N N 15 117.756 0.1 . 1 . . . . . 28 L N . 51419 1 156 . 1 . 1 29 29 LEU H H 1 9.234 0.02 . 1 . . . . . 29 L H . 51419 1 157 . 1 . 1 29 29 LEU HA H 1 5.850 0.1 . 1 . . . . . 29 L HA . 51419 1 158 . 1 . 1 29 29 LEU C C 13 172.836 0.1 . 1 . . . . . 29 L C . 51419 1 159 . 1 . 1 29 29 LEU CA C 13 50.191 0.2 . 1 . . . . . 29 L CA . 51419 1 160 . 1 . 1 29 29 LEU CB C 13 41.175 0.5 . 1 . . . . . 29 L CB . 51419 1 161 . 1 . 1 29 29 LEU N N 15 124.937 0.1 . 1 . . . . . 29 L N . 51419 1 162 . 1 . 1 30 30 LYS H H 1 9.304 0.02 . 1 . . . . . 30 K H . 51419 1 163 . 1 . 1 30 30 LYS HA H 1 5.498 0.1 . 1 . . . . . 30 K HA . 51419 1 164 . 1 . 1 30 30 LYS C C 13 174.672 0.1 . 1 . . . . . 30 K C . 51419 1 165 . 1 . 1 30 30 LYS CA C 13 51.486 0.2 . 1 . . . . . 30 K CA . 51419 1 166 . 1 . 1 30 30 LYS CB C 13 31.675 0.5 . 1 . . . . . 30 K CB . 51419 1 167 . 1 . 1 30 30 LYS N N 15 126.611 0.1 . 1 . . . . . 30 K N . 51419 1 168 . 1 . 1 31 31 ASN H H 1 8.667 0.02 . 1 . . . . . 31 N H . 51419 1 169 . 1 . 1 31 31 ASN HA H 1 4.344 0.1 . 1 . . . . . 31 N HA . 51419 1 170 . 1 . 1 31 31 ASN C C 13 171.800 0.1 . 1 . . . . . 31 N C . 51419 1 171 . 1 . 1 31 31 ASN CA C 13 51.562 0.2 . 1 . . . . . 31 N CA . 51419 1 172 . 1 . 1 31 31 ASN CB C 13 33.692 0.5 . 1 . . . . . 31 N CB . 51419 1 173 . 1 . 1 31 31 ASN N N 15 117.708 0.1 . 1 . . . . . 31 N N . 51419 1 174 . 1 . 1 32 32 ASP H H 1 7.386 0.02 . 1 . . . . . 32 D H . 51419 1 175 . 1 . 1 32 32 ASP HA H 1 4.665 0.1 . 1 . . . . . 32 D HA . 51419 1 176 . 1 . 1 32 32 ASP C C 13 174.526 0.1 . 1 . . . . . 32 D C . 51419 1 177 . 1 . 1 32 32 ASP CA C 13 49.979 0.2 . 1 . . . . . 32 D CA . 51419 1 178 . 1 . 1 32 32 ASP CB C 13 36.783 0.5 . 1 . . . . . 32 D CB . 51419 1 179 . 1 . 1 32 32 ASP N N 15 117.072 0.1 . 1 . . . . . 32 D N . 51419 1 180 . 1 . 1 33 33 GLY H H 1 8.156 0.02 . 1 . . . . . 33 G H . 51419 1 181 . 1 . 1 33 33 GLY HA2 H 1 4.806 0.1 . 1 . . . . . 33 G HA . 51419 1 182 . 1 . 1 33 33 GLY HA3 H 1 4.806 0.1 . 1 . . . . . 33 G HA . 51419 1 183 . 1 . 1 33 33 GLY C C 13 170.217 0.1 . 1 . . . . . 33 G C . 51419 1 184 . 1 . 1 33 33 GLY CA C 13 41.958 0.2 . 1 . . . . . 33 G CA . 51419 1 185 . 1 . 1 33 33 GLY N N 15 108.269 0.1 . 1 . . . . . 33 G N . 51419 1 186 . 1 . 1 34 34 THR H H 1 8.006 0.02 . 1 . . . . . 34 T H . 51419 1 187 . 1 . 1 34 34 THR HA H 1 4.445 0.1 . 1 . . . . . 34 T HA . 51419 1 188 . 1 . 1 34 34 THR C C 13 170.176 0.1 . 1 . . . . . 34 T C . 51419 1 189 . 1 . 1 34 34 THR CA C 13 60.931 0.2 . 1 . . . . . 34 T CA . 51419 1 190 . 1 . 1 34 34 THR CB C 13 66.368 0.5 . 1 . . . . . 34 T CB . 51419 1 191 . 1 . 1 34 34 THR N N 15 116.717 0.1 . 1 . . . . . 34 T N . 51419 1 192 . 1 . 1 35 35 PHE H H 1 8.597 0.02 . 1 . . . . . 35 F H . 51419 1 193 . 1 . 1 35 35 PHE HA H 1 6.224 0.1 . 1 . . . . . 35 F HA . 51419 1 194 . 1 . 1 35 35 PHE C C 13 170.661 0.1 . 1 . . . . . 35 F C . 51419 1 195 . 1 . 1 35 35 PHE CA C 13 51.628 0.2 . 1 . . . . . 35 F CA . 51419 1 196 . 1 . 1 35 35 PHE CB C 13 37.469 0.5 . 1 . . . . . 35 F CB . 51419 1 197 . 1 . 1 35 35 PHE N N 15 129.912 0.1 . 1 . . . . . 35 F N . 51419 1 198 . 1 . 1 36 36 ILE H H 1 8.593 0.02 . 1 . . . . . 36 I H . 51419 1 199 . 1 . 1 36 36 ILE HA H 1 4.806 0.1 . 1 . . . . . 36 I HA . 51419 1 200 . 1 . 1 36 36 ILE C C 13 170.253 0.1 . 1 . . . . . 36 I C . 51419 1 201 . 1 . 1 36 36 ILE CA C 13 55.619 0.2 . 1 . . . . . 36 I CA . 51419 1 202 . 1 . 1 36 36 ILE N N 15 122.488 0.1 . 1 . . . . . 36 I N . 51419 1 203 . 1 . 1 37 37 GLY H H 1 7.916 0.02 . 1 . . . . . 37 G H . 51419 1 204 . 1 . 1 37 37 GLY C C 13 169.532 0.1 . 1 . . . . . 37 G C . 51419 1 205 . 1 . 1 37 37 GLY CA C 13 41.1 0.2 . 1 . . . . . 37 G CA . 51419 1 206 . 1 . 1 37 37 GLY N N 15 111.298 0.1 . 1 . . . . . 37 G N . 51419 1 207 . 1 . 1 38 38 TYR H H 1 8.700 0.02 . 1 . . . . . 38 Y H . 51419 1 208 . 1 . 1 38 38 TYR HA H 1 4.816 0.1 . 1 . . . . . 38 Y HA . 51419 1 209 . 1 . 1 38 38 TYR C C 13 172.773 0.1 . 1 . . . . . 38 Y C . 51419 1 210 . 1 . 1 38 38 TYR CA C 13 53.692 0.2 . 1 . . . . . 38 Y CA . 51419 1 211 . 1 . 1 38 38 TYR CB C 13 40.091 0.5 . 1 . . . . . 38 Y CB . 51419 1 212 . 1 . 1 38 38 TYR N N 15 121.721 0.1 . 1 . . . . . 38 Y N . 51419 1 213 . 1 . 1 39 39 LYS H H 1 8.901 0.02 . 1 . . . . . 39 K H . 51419 1 214 . 1 . 1 39 39 LYS C C 13 172.545 0.1 . 1 . . . . . 39 K C . 51419 1 215 . 1 . 1 39 39 LYS CA C 13 56.093 0.2 . 1 . . . . . 39 K CA . 51419 1 216 . 1 . 1 39 39 LYS CB C 13 29.651 0.5 . 1 . . . . . 39 K CB . 51419 1 217 . 1 . 1 39 39 LYS N N 15 121.735 0.1 . 1 . . . . . 39 K N . 51419 1 218 . 1 . 1 46 46 ASP HA H 1 4.258 0.1 . 1 . . . . . 46 D HA . 51419 1 219 . 1 . 1 47 47 GLN H H 1 7.998 0.02 . 1 . . . . . 47 Q H . 51419 1 220 . 1 . 1 47 47 GLN HA H 1 4.259 0.1 . 1 . . . . . 47 Q HA . 51419 1 221 . 1 . 1 47 47 GLN C C 13 174.652 0.1 . 1 . . . . . 47 Q C . 51419 1 222 . 1 . 1 47 47 GLN CA C 13 53.868 0.2 . 1 . . . . . 47 Q CA . 51419 1 223 . 1 . 1 47 47 GLN CB C 13 28.955 0.5 . 1 . . . . . 47 Q CB . 51419 1 224 . 1 . 1 47 47 GLN N N 15 122.128 0.1 . 1 . . . . . 47 Q N . 51419 1 225 . 1 . 1 48 48 ARG H H 1 8.073 0.02 . 1 . . . . . 48 R H . 51419 1 226 . 1 . 1 48 48 ARG HA H 1 4.275 0.1 . 1 . . . . . 48 R HA . 51419 1 227 . 1 . 1 48 48 ARG C C 13 174.043 0.1 . 1 . . . . . 48 R C . 51419 1 228 . 1 . 1 48 48 ARG CA C 13 53.582 0.2 . 1 . . . . . 48 R CA . 51419 1 229 . 1 . 1 48 48 ARG CB C 13 25.573 0.5 . 1 . . . . . 48 R CB . 51419 1 230 . 1 . 1 48 48 ARG N N 15 121.193 0.1 . 1 . . . . . 48 R N . 51419 1 231 . 1 . 1 49 49 GLU H H 1 8.013 0.02 . 1 . . . . . 49 E H . 51419 1 232 . 1 . 1 49 49 GLU HA H 1 4.414 0.1 . 1 . . . . . 49 E HA . 51419 1 233 . 1 . 1 49 49 GLU C C 13 173.002 0.1 . 1 . . . . . 49 E C . 51419 1 234 . 1 . 1 49 49 GLU CA C 13 52.452 0.2 . 1 . . . . . 49 E CA . 51419 1 235 . 1 . 1 49 49 GLU CB C 13 27.475 0.5 . 1 . . . . . 49 E CB . 51419 1 236 . 1 . 1 49 49 GLU N N 15 122.248 0.1 . 1 . . . . . 49 E N . 51419 1 237 . 1 . 1 50 50 ALA H H 1 8.439 0.02 . 1 . . . . . 50 A H . 51419 1 238 . 1 . 1 50 50 ALA HA H 1 4.698 0.1 . 1 . . . . . 50 A HA . 51419 1 239 . 1 . 1 50 50 ALA C C 13 172.594 0.1 . 1 . . . . . 50 A C . 51419 1 240 . 1 . 1 50 50 ALA CA C 13 47.109 0.2 . 1 . . . . . 50 A CA . 51419 1 241 . 1 . 1 50 50 ALA CB C 13 14.232 0.5 . 1 . . . . . 50 A CB . 51419 1 242 . 1 . 1 50 50 ALA N N 15 127.339 0.1 . 1 . . . . . 50 A N . 51419 1 243 . 1 . 1 54 54 ASN H H 1 8.656 0.02 . 1 . . . . . 54 N H . 51419 1 244 . 1 . 1 54 54 ASN HA H 1 4.210 0.1 . 1 . . . . . 54 N HA . 51419 1 245 . 1 . 1 54 54 ASN C C 13 173.294 0.1 . 1 . . . . . 54 N C . 51419 1 246 . 1 . 1 54 54 ASN CA C 13 53.208 0.2 . 1 . . . . . 54 N CA . 51419 1 247 . 1 . 1 54 54 ASN N N 15 119.428 0.1 . 1 . . . . . 54 N N . 51419 1 248 . 1 . 1 55 55 PHE H H 1 7.957 0.02 . 1 . . . . . 55 F H . 51419 1 249 . 1 . 1 55 55 PHE HA H 1 2.947 0.1 . 1 . . . . . 55 F HA . 51419 1 250 . 1 . 1 55 55 PHE C C 13 173.509 0.1 . 1 . . . . . 55 F C . 51419 1 251 . 1 . 1 55 55 PHE CA C 13 51.431 0.2 . 1 . . . . . 55 F CA . 51419 1 252 . 1 . 1 55 55 PHE CB C 13 38.137 0.5 . 1 . . . . . 55 F CB . 51419 1 253 . 1 . 1 55 55 PHE N N 15 119.961 0.1 . 1 . . . . . 55 F N . 51419 1 254 . 1 . 1 56 56 SER H H 1 8.918 0.02 . 1 . . . . . 56 S H . 51419 1 255 . 1 . 1 56 56 SER C C 13 173.891 0.1 . 1 . . . . . 56 S C . 51419 1 256 . 1 . 1 56 56 SER CA C 13 52.770 0.2 . 1 . . . . . 56 S CA . 51419 1 257 . 1 . 1 56 56 SER CB C 13 60.995 0.5 . 1 . . . . . 56 S CB . 51419 1 258 . 1 . 1 56 56 SER N N 15 116.334 0.1 . 1 . . . . . 56 S N . 51419 1 259 . 1 . 1 57 57 VAL H H 1 9.007 0.02 . 1 . . . . . 57 V H . 51419 1 260 . 1 . 1 57 57 VAL HA H 1 4.630 0.1 . 1 . . . . . 57 V HA . 51419 1 261 . 1 . 1 57 57 VAL C C 13 171.582 0.1 . 1 . . . . . 57 V C . 51419 1 262 . 1 . 1 57 57 VAL CA C 13 57.488 0.2 . 1 . . . . . 57 V CA . 51419 1 263 . 1 . 1 57 57 VAL CB C 13 26.255 0.5 . 1 . . . . . 57 V CB . 51419 1 264 . 1 . 1 57 57 VAL N N 15 119.404 0.1 . 1 . . . . . 57 V N . 51419 1 265 . 1 . 1 58 58 ALA H H 1 7.690 0.02 . 1 . . . . . 58 A H . 51419 1 266 . 1 . 1 58 58 ALA HA H 1 4.025 0.1 . 1 . . . . . 58 A HA . 51419 1 267 . 1 . 1 58 58 ALA C C 13 175.585 0.1 . 1 . . . . . 58 A C . 51419 1 268 . 1 . 1 58 58 ALA CA C 13 51.351 0.2 . 1 . . . . . 58 A CA . 51419 1 269 . 1 . 1 58 58 ALA CB C 13 14.736 0.5 . 1 . . . . . 58 A CB . 51419 1 270 . 1 . 1 58 58 ALA N N 15 123.434 0.1 . 1 . . . . . 58 A N . 51419 1 271 . 1 . 1 60 60 CYS H H 1 7.809 0.02 . 1 . . . . . 60 C H . 51419 1 272 . 1 . 1 60 60 CYS C C 13 170.815 0.1 . 1 . . . . . 60 C C . 51419 1 273 . 1 . 1 60 60 CYS CA C 13 54.568 0.2 . 1 . . . . . 60 C CA . 51419 1 274 . 1 . 1 60 60 CYS CB C 13 26.254 0.5 . 1 . . . . . 60 C CB . 51419 1 275 . 1 . 1 60 60 CYS N N 15 117.737 0.1 . 1 . . . . . 60 C N . 51419 1 276 . 1 . 1 61 61 GLN H H 1 8.365 0.02 . 1 . . . . . 61 Q H . 51419 1 277 . 1 . 1 61 61 GLN HA H 1 4.760 0.1 . 1 . . . . . 61 Q HA . 51419 1 278 . 1 . 1 61 61 GLN C C 13 173.438 0.1 . 1 . . . . . 61 Q C . 51419 1 279 . 1 . 1 61 61 GLN CA C 13 51.813 0.2 . 1 . . . . . 61 Q CA . 51419 1 280 . 1 . 1 61 61 GLN CB C 13 28.082 0.5 . 1 . . . . . 61 Q CB . 51419 1 281 . 1 . 1 61 61 GLN N N 15 122.813 0.1 . 1 . . . . . 61 Q N . 51419 1 282 . 1 . 1 62 62 LEU H H 1 8.729 0.02 . 1 . . . . . 62 L H . 51419 1 283 . 1 . 1 62 62 LEU HA H 1 5.503 0.1 . 1 . . . . . 62 L HA . 51419 1 284 . 1 . 1 62 62 LEU C C 13 173.701 0.1 . 1 . . . . . 62 L C . 51419 1 285 . 1 . 1 62 62 LEU CA C 13 50.838 0.2 . 1 . . . . . 62 L CA . 51419 1 286 . 1 . 1 62 62 LEU CB C 13 42.367 0.5 . 1 . . . . . 62 L CB . 51419 1 287 . 1 . 1 62 62 LEU N N 15 126.196 0.1 . 1 . . . . . 62 L N . 51419 1 288 . 1 . 1 63 63 MET H H 1 9.008 0.02 . 1 . . . . . 63 M H . 51419 1 289 . 1 . 1 63 63 MET HA H 1 4.883 0.1 . 1 . . . . . 63 M HA . 51419 1 290 . 1 . 1 63 63 MET C C 13 171.993 0.1 . 1 . . . . . 63 M C . 51419 1 291 . 1 . 1 63 63 MET CA C 13 51.588 0.2 . 1 . . . . . 63 M CA . 51419 1 292 . 1 . 1 63 63 MET CB C 13 32.741 0.5 . 1 . . . . . 63 M CB . 51419 1 293 . 1 . 1 63 63 MET N N 15 122.620 0.1 . 1 . . . . . 63 M N . 51419 1 294 . 1 . 1 64 64 LYS H H 1 8.784 0.02 . 1 . . . . . 64 K H . 51419 1 295 . 1 . 1 64 64 LYS HA H 1 4.854 0.1 . 1 . . . . . 64 K HA . 51419 1 296 . 1 . 1 64 64 LYS C C 13 172.328 0.1 . 1 . . . . . 64 K C . 51419 1 297 . 1 . 1 64 64 LYS CA C 13 53.130 0.2 . 1 . . . . . 64 K CA . 51419 1 298 . 1 . 1 64 64 LYS CB C 13 30.217 0.5 . 1 . . . . . 64 K CB . 51419 1 299 . 1 . 1 64 64 LYS N N 15 124.399 0.1 . 1 . . . . . 64 K N . 51419 1 300 . 1 . 1 65 65 THR H H 1 8.029 0.02 . 1 . . . . . 65 T H . 51419 1 301 . 1 . 1 65 65 THR HA H 1 4.852 0.1 . 1 . . . . . 65 T HA . 51419 1 302 . 1 . 1 65 65 THR C C 13 168.773 0.1 . 1 . . . . . 65 T C . 51419 1 303 . 1 . 1 65 65 THR CA C 13 56.837 0.2 . 1 . . . . . 65 T CA . 51419 1 304 . 1 . 1 65 65 THR CB C 13 66.536 0.5 . 1 . . . . . 65 T CB . 51419 1 305 . 1 . 1 65 65 THR N N 15 116.720 0.1 . 1 . . . . . 65 T N . 51419 1 306 . 1 . 1 66 66 GLU H H 1 8.295 0.02 . 1 . . . . . 66 E H . 51419 1 307 . 1 . 1 66 66 GLU HA H 1 5.169 0.1 . 1 . . . . . 66 E HA . 51419 1 308 . 1 . 1 66 66 GLU C C 13 172.458 0.1 . 1 . . . . . 66 E C . 51419 1 309 . 1 . 1 66 66 GLU CA C 13 49.847 0.2 . 1 . . . . . 66 E CA . 51419 1 310 . 1 . 1 66 66 GLU CB C 13 25.545 0.5 . 1 . . . . . 66 E CB . 51419 1 311 . 1 . 1 66 66 GLU N N 15 120.153 0.1 . 1 . . . . . 66 E N . 51419 1 312 . 1 . 1 67 67 ARG H H 1 7.636 0.02 . 1 . . . . . 67 R H . 51419 1 313 . 1 . 1 67 67 ARG C C 13 172.052 0.1 . 1 . . . . . 67 R C . 51419 1 314 . 1 . 1 67 67 ARG CA C 13 48.986 0.2 . 1 . . . . . 67 R CA . 51419 1 315 . 1 . 1 67 67 ARG CB C 13 28.341 0.5 . 1 . . . . . 67 R CB . 51419 1 316 . 1 . 1 67 67 ARG N N 15 118.307 0.1 . 1 . . . . . 67 R N . 51419 1 317 . 1 . 1 68 68 PRO HA H 1 4.588 0.1 . 1 . . . . . 68 P HA . 51419 1 318 . 1 . 1 68 68 PRO C C 13 172.893 0.1 . 1 . . . . . 68 P C . 51419 1 319 . 1 . 1 68 68 PRO CA C 13 60.703 0.2 . 1 . . . . . 68 P CA . 51419 1 320 . 1 . 1 68 68 PRO CB C 13 28.298 0.5 . 1 . . . . . 68 P CB . 51419 1 321 . 1 . 1 69 69 ARG H H 1 7.318 0.02 . 1 . . . . . 69 R H . 51419 1 322 . 1 . 1 69 69 ARG C C 13 169.876 0.1 . 1 . . . . . 69 R C . 51419 1 323 . 1 . 1 69 69 ARG CA C 13 49.163 0.2 . 1 . . . . . 69 R CA . 51419 1 324 . 1 . 1 69 69 ARG N N 15 120.142 0.1 . 1 . . . . . 69 R N . 51419 1 325 . 1 . 1 70 70 PRO HA H 1 4.659 0.1 . 1 . . . . . 70 P HA . 51419 1 326 . 1 . 1 70 70 PRO C C 13 173.292 0.1 . 1 . . . . . 70 P C . 51419 1 327 . 1 . 1 70 70 PRO CA C 13 59.359 0.2 . 1 . . . . . 70 P CA . 51419 1 328 . 1 . 1 70 70 PRO CB C 13 29.230 0.5 . 1 . . . . . 70 P CB . 51419 1 329 . 1 . 1 71 71 ASN H H 1 8.752 0.02 . 1 . . . . . 71 N H . 51419 1 330 . 1 . 1 71 71 ASN HA H 1 4.643 0.1 . 1 . . . . . 71 N HA . 51419 1 331 . 1 . 1 71 71 ASN C C 13 171.729 0.1 . 1 . . . . . 71 N C . 51419 1 332 . 1 . 1 71 71 ASN CA C 13 51.847 0.2 . 1 . . . . . 71 N CA . 51419 1 333 . 1 . 1 71 71 ASN CB C 13 34.309 0.5 . 1 . . . . . 71 N CB . 51419 1 334 . 1 . 1 71 71 ASN N N 15 113.836 0.1 . 1 . . . . . 71 N N . 51419 1 335 . 1 . 1 72 72 THR H H 1 7.543 0.02 . 1 . . . . . 72 T H . 51419 1 336 . 1 . 1 72 72 THR HA H 1 5.609 0.1 . 1 . . . . . 72 T HA . 51419 1 337 . 1 . 1 72 72 THR C C 13 173.832 0.1 . 1 . . . . . 72 T C . 51419 1 338 . 1 . 1 72 72 THR CA C 13 59.566 0.2 . 1 . . . . . 72 T CA . 51419 1 339 . 1 . 1 72 72 THR CB C 13 66.861 0.5 . 1 . . . . . 72 T CB . 51419 1 340 . 1 . 1 72 72 THR N N 15 116.871 0.1 . 1 . . . . . 72 T N . 51419 1 341 . 1 . 1 73 73 PHE H H 1 9.493 0.02 . 1 . . . . . 73 F H . 51419 1 342 . 1 . 1 73 73 PHE HA H 1 5.646 0.1 . 1 . . . . . 73 F HA . 51419 1 343 . 1 . 1 73 73 PHE C C 13 177.85 0.1 . 1 . . . . . 73 F C . 51419 1 344 . 1 . 1 73 73 PHE CA C 13 53.569 0.2 . 1 . . . . . 73 F CA . 51419 1 345 . 1 . 1 73 73 PHE CB C 13 38.133 0.5 . 1 . . . . . 73 F CB . 51419 1 346 . 1 . 1 73 73 PHE N N 15 123.939 0.1 . 1 . . . . . 73 F N . 51419 1 347 . 1 . 1 74 74 ILE H H 1 9.149 0.02 . 1 . . . . . 74 I H . 51419 1 348 . 1 . 1 74 74 ILE HA H 1 5.060 0.1 . 1 . . . . . 74 I HA . 51419 1 349 . 1 . 1 74 74 ILE C C 13 172.837 0.1 . 1 . . . . . 74 I C . 51419 1 350 . 1 . 1 74 74 ILE CA C 13 56.377 0.2 . 1 . . . . . 74 I CA . 51419 1 351 . 1 . 1 74 74 ILE CB C 13 38.244 0.5 . 1 . . . . . 74 I CB . 51419 1 352 . 1 . 1 74 74 ILE N N 15 123.400 0.1 . 1 . . . . . 74 I N . 51419 1 353 . 1 . 1 75 75 ILE H H 1 9.135 0.02 . 1 . . . . . 75 I H . 51419 1 354 . 1 . 1 75 75 ILE HA H 1 5.339 0.1 . 1 . . . . . 75 I HA . 51419 1 355 . 1 . 1 75 75 ILE C C 13 170.643 0.1 . 1 . . . . . 75 I C . 51419 1 356 . 1 . 1 75 75 ILE CA C 13 55.062 0.2 . 1 . . . . . 75 I CA . 51419 1 357 . 1 . 1 75 75 ILE CB C 13 38.102 0.5 . 1 . . . . . 75 I CB . 51419 1 358 . 1 . 1 75 75 ILE N N 15 124.224 0.1 . 1 . . . . . 75 I N . 51419 1 359 . 1 . 1 76 76 ARG H H 1 8.678 0.02 . 1 . . . . . 76 R H . 51419 1 360 . 1 . 1 76 76 ARG HA H 1 5.429 0.1 . 1 . . . . . 76 R HA . 51419 1 361 . 1 . 1 76 76 ARG C C 13 173.104 0.1 . 1 . . . . . 76 R C . 51419 1 362 . 1 . 1 76 76 ARG CA C 13 51.450 0.2 . 1 . . . . . 76 R CA . 51419 1 363 . 1 . 1 76 76 ARG CB C 13 27.753 0.5 . 1 . . . . . 76 R CB . 51419 1 364 . 1 . 1 76 76 ARG N N 15 127.358 0.1 . 1 . . . . . 76 R N . 51419 1 365 . 1 . 1 77 77 CYS H H 1 8.928 0.02 . 1 . . . . . 77 C H . 51419 1 366 . 1 . 1 77 77 CYS C C 13 169.403 0.1 . 1 . . . . . 77 C C . 51419 1 367 . 1 . 1 77 77 CYS CA C 13 53.436 0.2 . 1 . . . . . 77 C CA . 51419 1 368 . 1 . 1 77 77 CYS CB C 13 25.870 0.5 . 1 . . . . . 77 C CB . 51419 1 369 . 1 . 1 77 77 CYS N N 15 123.553 0.1 . 1 . . . . . 77 C N . 51419 1 370 . 1 . 1 80 80 TRP HA H 1 4.521 0.1 . 1 . . . . . 80 W HA . 51419 1 371 . 1 . 1 81 81 THR H H 1 8.213 0.02 . 1 . . . . . 81 T H . 51419 1 372 . 1 . 1 81 81 THR HA H 1 4.521 0.1 . 1 . . . . . 81 T HA . 51419 1 373 . 1 . 1 81 81 THR C C 13 171.343 0.1 . 1 . . . . . 81 T C . 51419 1 374 . 1 . 1 81 81 THR CA C 13 59.032 0.2 . 1 . . . . . 81 T CA . 51419 1 375 . 1 . 1 81 81 THR CB C 13 66.047 0.5 . 1 . . . . . 81 T CB . 51419 1 376 . 1 . 1 81 81 THR N N 15 113.101 0.1 . 1 . . . . . 81 T N . 51419 1 377 . 1 . 1 82 82 THR H H 1 8.124 0.02 . 1 . . . . . 82 T H . 51419 1 378 . 1 . 1 82 82 THR HA H 1 4.576 0.1 . 1 . . . . . 82 T HA . 51419 1 379 . 1 . 1 82 82 THR C C 13 169.974 0.1 . 1 . . . . . 82 T C . 51419 1 380 . 1 . 1 82 82 THR CA C 13 58.490 0.2 . 1 . . . . . 82 T CA . 51419 1 381 . 1 . 1 82 82 THR CB C 13 67.607 0.5 . 1 . . . . . 82 T CB . 51419 1 382 . 1 . 1 82 82 THR N N 15 120.239 0.1 . 1 . . . . . 82 T N . 51419 1 383 . 1 . 1 83 83 VAL H H 1 8.461 0.02 . 1 . . . . . 83 V H . 51419 1 384 . 1 . 1 83 83 VAL C C 13 173.001 0.1 . 1 . . . . . 83 V C . 51419 1 385 . 1 . 1 83 83 VAL CA C 13 59.573 0.2 . 1 . . . . . 83 V CA . 51419 1 386 . 1 . 1 83 83 VAL CB C 13 28.180 0.5 . 1 . . . . . 83 V CB . 51419 1 387 . 1 . 1 83 83 VAL N N 15 126.903 0.1 . 1 . . . . . 83 V N . 51419 1 388 . 1 . 1 84 84 ILE HA H 1 4.575 0.1 . 1 . . . . . 84 I HA . 51419 1 389 . 1 . 1 85 85 GLU H H 1 8.033 0.02 . 1 . . . . . 85 E H . 51419 1 390 . 1 . 1 85 85 GLU HA H 1 5.324 0.1 . 1 . . . . . 85 E HA . 51419 1 391 . 1 . 1 85 85 GLU C C 13 172.277 0.1 . 1 . . . . . 85 E C . 51419 1 392 . 1 . 1 85 85 GLU CA C 13 51.072 0.2 . 1 . . . . . 85 E CA . 51419 1 393 . 1 . 1 85 85 GLU CB C 13 28.840 0.5 . 1 . . . . . 85 E CB . 51419 1 394 . 1 . 1 85 85 GLU N N 15 122.083 0.1 . 1 . . . . . 85 E N . 51419 1 395 . 1 . 1 86 86 ALA H H 1 8.747 0.02 . 1 . . . . . 86 A H . 51419 1 396 . 1 . 1 86 86 ALA HA H 1 4.402 0.1 . 1 . . . . . 86 A HA . 51419 1 397 . 1 . 1 86 86 ALA C C 13 171.144 0.1 . 1 . . . . . 86 A C . 51419 1 398 . 1 . 1 86 86 ALA CA C 13 47.461 0.2 . 1 . . . . . 86 A CA . 51419 1 399 . 1 . 1 86 86 ALA CB C 13 18.562 0.5 . 1 . . . . . 86 A CB . 51419 1 400 . 1 . 1 86 86 ALA N N 15 129.039 0.1 . 1 . . . . . 86 A N . 51419 1 401 . 1 . 1 87 87 THR H H 1 8.047 0.02 . 1 . . . . . 87 T H . 51419 1 402 . 1 . 1 87 87 THR HA H 1 4.565 0.1 . 1 . . . . . 87 T HA . 51419 1 403 . 1 . 1 87 87 THR C C 13 169.400 0.1 . 1 . . . . . 87 T C . 51419 1 404 . 1 . 1 87 87 THR CA C 13 59.482 0.2 . 1 . . . . . 87 T CA . 51419 1 405 . 1 . 1 87 87 THR CB C 13 66.486 0.5 . 1 . . . . . 87 T CB . 51419 1 406 . 1 . 1 87 87 THR N N 15 118.847 0.1 . 1 . . . . . 87 T N . 51419 1 407 . 1 . 1 88 88 PHE H H 1 8.815 0.02 . 1 . . . . . 88 F H . 51419 1 408 . 1 . 1 88 88 PHE HA H 1 5.842 0.1 . 1 . . . . . 88 F HA . 51419 1 409 . 1 . 1 88 88 PHE C C 13 171.493 0.1 . 1 . . . . . 88 F C . 51419 1 410 . 1 . 1 88 88 PHE CA C 13 52.483 0.2 . 1 . . . . . 88 F CA . 51419 1 411 . 1 . 1 88 88 PHE CB C 13 39.899 0.5 . 1 . . . . . 88 F CB . 51419 1 412 . 1 . 1 88 88 PHE N N 15 124.088 0.1 . 1 . . . . . 88 F N . 51419 1 413 . 1 . 1 89 89 HIS H H 1 9.322 0.02 . 1 . . . . . 89 H H . 51419 1 414 . 1 . 1 89 89 HIS HA H 1 5.339 0.1 . 1 . . . . . 89 H HA . 51419 1 415 . 1 . 1 89 89 HIS C C 13 170.075 0.1 . 1 . . . . . 89 H C . 51419 1 416 . 1 . 1 89 89 HIS CA C 13 52.456 0.2 . 1 . . . . . 89 H CA . 51419 1 417 . 1 . 1 89 89 HIS CB C 13 28.937 0.5 . 1 . . . . . 89 H CB . 51419 1 418 . 1 . 1 89 89 HIS N N 15 118.437 0.1 . 1 . . . . . 89 H N . 51419 1 419 . 1 . 1 90 90 VAL H H 1 6.984 0.02 . 1 . . . . . 90 V H . 51419 1 420 . 1 . 1 90 90 VAL HA H 1 4.763 0.1 . 1 . . . . . 90 V HA . 51419 1 421 . 1 . 1 90 90 VAL C C 13 172.066 0.1 . 1 . . . . . 90 V C . 51419 1 422 . 1 . 1 90 90 VAL CA C 13 55.744 0.2 . 1 . . . . . 90 V CA . 51419 1 423 . 1 . 1 90 90 VAL CB C 13 30.736 0.5 . 1 . . . . . 90 V CB . 51419 1 424 . 1 . 1 90 90 VAL N N 15 116.993 0.1 . 1 . . . . . 90 V N . 51419 1 425 . 1 . 1 91 91 GLU H H 1 8.533 0.02 . 1 . . . . . 91 E H . 51419 1 426 . 1 . 1 91 91 GLU HA H 1 4.122 0.1 . 1 . . . . . 91 E HA . 51419 1 427 . 1 . 1 91 91 GLU C C 13 174.570 0.1 . 1 . . . . . 91 E C . 51419 1 428 . 1 . 1 91 91 GLU CA C 13 55.779 0.2 . 1 . . . . . 91 E CA . 51419 1 429 . 1 . 1 91 91 GLU CB C 13 27.222 0.5 . 1 . . . . . 91 E CB . 51419 1 430 . 1 . 1 91 91 GLU N N 15 116.435 0.1 . 1 . . . . . 91 E N . 51419 1 431 . 1 . 1 92 92 THR H H 1 7.066 0.02 . 1 . . . . . 92 T H . 51419 1 432 . 1 . 1 92 92 THR C C 13 170.252 0.1 . 1 . . . . . 92 T C . 51419 1 433 . 1 . 1 92 92 THR CA C 13 54.603 0.2 . 1 . . . . . 92 T CA . 51419 1 434 . 1 . 1 92 92 THR CB C 13 67.669 0.5 . 1 . . . . . 92 T CB . 51419 1 435 . 1 . 1 92 92 THR N N 15 105.317 0.1 . 1 . . . . . 92 T N . 51419 1 436 . 1 . 1 93 93 PRO HA H 1 4.301 0.1 . 1 . . . . . 93 P HA . 51419 1 437 . 1 . 1 93 93 PRO C C 13 177.853 0.1 . 1 . . . . . 93 P C . 51419 1 438 . 1 . 1 93 93 PRO CA C 13 61.307 0.2 . 1 . . . . . 93 P CA . 51419 1 439 . 1 . 1 94 94 GLU H H 1 9.028 0.02 . 1 . . . . . 94 E H . 51419 1 440 . 1 . 1 94 94 GLU HA H 1 4.080 0.1 . 1 . . . . . 94 E HA . 51419 1 441 . 1 . 1 94 94 GLU C C 13 176.601 0.1 . 1 . . . . . 94 E C . 51419 1 442 . 1 . 1 94 94 GLU CA C 13 57.481 0.2 . 1 . . . . . 94 E CA . 51419 1 443 . 1 . 1 94 94 GLU CB C 13 24.570 0.5 . 1 . . . . . 94 E CB . 51419 1 444 . 1 . 1 94 94 GLU N N 15 121.393 0.1 . 1 . . . . . 94 E N . 51419 1 445 . 1 . 1 95 95 GLU H H 1 7.768 0.02 . 1 . . . . . 95 E H . 51419 1 446 . 1 . 1 95 95 GLU HA H 1 4.184 0.1 . 1 . . . . . 95 E HA . 51419 1 447 . 1 . 1 95 95 GLU C C 13 176.112 0.1 . 1 . . . . . 95 E C . 51419 1 448 . 1 . 1 95 95 GLU CA C 13 55.726 0.2 . 1 . . . . . 95 E CA . 51419 1 449 . 1 . 1 95 95 GLU CB C 13 27.091 0.5 . 1 . . . . . 95 E CB . 51419 1 450 . 1 . 1 95 95 GLU N N 15 121.049 0.1 . 1 . . . . . 95 E N . 51419 1 451 . 1 . 1 96 96 ARG H H 1 7.531 0.02 . 1 . . . . . 96 R H . 51419 1 452 . 1 . 1 96 96 ARG HA H 1 3.897 0.1 . 1 . . . . . 96 R HA . 51419 1 453 . 1 . 1 96 96 ARG C C 13 174.800 0.1 . 1 . . . . . 96 R C . 51419 1 454 . 1 . 1 96 96 ARG CA C 13 57.363 0.2 . 1 . . . . . 96 R CA . 51419 1 455 . 1 . 1 96 96 ARG CB C 13 25.393 0.5 . 1 . . . . . 96 R CB . 51419 1 456 . 1 . 1 96 96 ARG N N 15 120.657 0.1 . 1 . . . . . 96 R N . 51419 1 457 . 1 . 1 97 97 GLU H H 1 7.981 0.02 . 1 . . . . . 97 E H . 51419 1 458 . 1 . 1 97 97 GLU HA H 1 4.116 0.1 . 1 . . . . . 97 E HA . 51419 1 459 . 1 . 1 97 97 GLU C C 13 176.218 0.1 . 1 . . . . . 97 E C . 51419 1 460 . 1 . 1 97 97 GLU CA C 13 55.095 0.2 . 1 . . . . . 97 E CA . 51419 1 461 . 1 . 1 97 97 GLU CB C 13 25.367 0.5 . 1 . . . . . 97 E CB . 51419 1 462 . 1 . 1 97 97 GLU N N 15 120.963 0.1 . 1 . . . . . 97 E N . 51419 1 463 . 1 . 1 98 98 GLU H H 1 7.888 0.02 . 1 . . . . . 98 E H . 51419 1 464 . 1 . 1 98 98 GLU HA H 1 3.907 0.1 . 1 . . . . . 98 E HA . 51419 1 465 . 1 . 1 98 98 GLU C C 13 177.628 0.1 . 1 . . . . . 98 E C . 51419 1 466 . 1 . 1 98 98 GLU CA C 13 56.352 0.2 . 1 . . . . . 98 E CA . 51419 1 467 . 1 . 1 98 98 GLU CB C 13 25.984 0.5 . 1 . . . . . 98 E CB . 51419 1 468 . 1 . 1 98 98 GLU N N 15 119.663 0.1 . 1 . . . . . 98 E N . 51419 1 469 . 1 . 1 99 99 TRP H H 1 7.834 0.02 . 1 . . . . . 99 W H . 51419 1 470 . 1 . 1 99 99 TRP HA H 1 3.977 0.1 . 1 . . . . . 99 W HA . 51419 1 471 . 1 . 1 99 99 TRP C C 13 175.440 0.1 . 1 . . . . . 99 W C . 51419 1 472 . 1 . 1 99 99 TRP CA C 13 58.565 0.2 . 1 . . . . . 99 W CA . 51419 1 473 . 1 . 1 99 99 TRP CB C 13 26.310 0.5 . 1 . . . . . 99 W CB . 51419 1 474 . 1 . 1 99 99 TRP N N 15 119.310 0.1 . 1 . . . . . 99 W N . 51419 1 475 . 1 . 1 100 100 THR H H 1 8.475 0.02 . 1 . . . . . 100 T H . 51419 1 476 . 1 . 1 100 100 THR HA H 1 4.280 0.1 . 1 . . . . . 100 T HA . 51419 1 477 . 1 . 1 100 100 THR C C 13 174.867 0.1 . 1 . . . . . 100 T C . 51419 1 478 . 1 . 1 100 100 THR CA C 13 62.757 0.2 . 1 . . . . . 100 T CA . 51419 1 479 . 1 . 1 100 100 THR CB C 13 63.870 0.5 . 1 . . . . . 100 T CB . 51419 1 480 . 1 . 1 100 100 THR N N 15 110.173 0.1 . 1 . . . . . 100 T N . 51419 1 481 . 1 . 1 101 101 THR H H 1 8.192 0.02 . 1 . . . . . 101 T H . 51419 1 482 . 1 . 1 101 101 THR HA H 1 3.990 0.1 . 1 . . . . . 101 T HA . 51419 1 483 . 1 . 1 101 101 THR C C 13 173.877 0.1 . 1 . . . . . 101 T C . 51419 1 484 . 1 . 1 101 101 THR CA C 13 63.188 0.2 . 1 . . . . . 101 T CA . 51419 1 485 . 1 . 1 101 101 THR CB C 13 65.024 0.5 . 1 . . . . . 101 T CB . 51419 1 486 . 1 . 1 101 101 THR N N 15 119.167 0.1 . 1 . . . . . 101 T N . 51419 1 487 . 1 . 1 102 102 ALA H H 1 7.368 0.02 . 1 . . . . . 102 A H . 51419 1 488 . 1 . 1 102 102 ALA HA H 1 4.030 0.1 . 1 . . . . . 102 A HA . 51419 1 489 . 1 . 1 102 102 ALA C C 13 176.263 0.1 . 1 . . . . . 102 A C . 51419 1 490 . 1 . 1 102 102 ALA CA C 13 52.366 0.2 . 1 . . . . . 102 A CA . 51419 1 491 . 1 . 1 102 102 ALA CB C 13 14.444 0.5 . 1 . . . . . 102 A CB . 51419 1 492 . 1 . 1 102 102 ALA N N 15 126.411 0.1 . 1 . . . . . 102 A N . 51419 1 493 . 1 . 1 103 103 ILE H H 1 8.099 0.02 . 1 . . . . . 103 I H . 51419 1 494 . 1 . 1 103 103 ILE HA H 1 3.314 0.1 . 1 . . . . . 103 I HA . 51419 1 495 . 1 . 1 103 103 ILE C C 13 174.127 0.1 . 1 . . . . . 103 I C . 51419 1 496 . 1 . 1 103 103 ILE CA C 13 62.771 0.2 . 1 . . . . . 103 I CA . 51419 1 497 . 1 . 1 103 103 ILE CB C 13 34.451 0.5 . 1 . . . . . 103 I CB . 51419 1 498 . 1 . 1 103 103 ILE N N 15 117.632 0.1 . 1 . . . . . 103 I N . 51419 1 499 . 1 . 1 104 104 GLN H H 1 7.874 0.02 . 1 . . . . . 104 Q H . 51419 1 500 . 1 . 1 104 104 GLN HA H 1 3.809 0.1 . 1 . . . . . 104 Q HA . 51419 1 501 . 1 . 1 104 104 GLN C C 13 175.162 0.1 . 1 . . . . . 104 Q C . 51419 1 502 . 1 . 1 104 104 GLN CA C 13 54.989 0.2 . 1 . . . . . 104 Q CA . 51419 1 503 . 1 . 1 104 104 GLN CB C 13 25.406 0.5 . 1 . . . . . 104 Q CB . 51419 1 504 . 1 . 1 104 104 GLN N N 15 118.597 0.1 . 1 . . . . . 104 Q N . 51419 1 505 . 1 . 1 105 105 THR H H 1 8.175 0.02 . 1 . . . . . 105 T H . 51419 1 506 . 1 . 1 105 105 THR HA H 1 4.000 0.1 . 1 . . . . . 105 T HA . 51419 1 507 . 1 . 1 105 105 THR C C 13 174.960 0.1 . 1 . . . . . 105 T C . 51419 1 508 . 1 . 1 105 105 THR CA C 13 63.553 0.2 . 1 . . . . . 105 T CA . 51419 1 509 . 1 . 1 105 105 THR CB C 13 65.392 0.5 . 1 . . . . . 105 T CB . 51419 1 510 . 1 . 1 105 105 THR N N 15 115.846 0.1 . 1 . . . . . 105 T N . 51419 1 511 . 1 . 1 106 106 VAL H H 1 7.790 0.02 . 1 . . . . . 106 V H . 51419 1 512 . 1 . 1 106 106 VAL HA H 1 3.774 0.1 . 1 . . . . . 106 V HA . 51419 1 513 . 1 . 1 106 106 VAL C C 13 175.843 0.1 . 1 . . . . . 106 V C . 51419 1 514 . 1 . 1 106 106 VAL CA C 13 62.877 0.2 . 1 . . . . . 106 V CA . 51419 1 515 . 1 . 1 106 106 VAL CB C 13 27.815 0.5 . 1 . . . . . 106 V CB . 51419 1 516 . 1 . 1 106 106 VAL N N 15 123.890 0.1 . 1 . . . . . 106 V N . 51419 1 517 . 1 . 1 107 107 ALA H H 1 8.439 0.02 . 1 . . . . . 107 A H . 51419 1 518 . 1 . 1 107 107 ALA HA H 1 3.940 0.1 . 1 . . . . . 107 A HA . 51419 1 519 . 1 . 1 107 107 ALA C C 13 178.438 0.1 . 1 . . . . . 107 A C . 51419 1 520 . 1 . 1 107 107 ALA CA C 13 52.760 0.2 . 1 . . . . . 107 A CA . 51419 1 521 . 1 . 1 107 107 ALA CB C 13 14.826 0.5 . 1 . . . . . 107 A CB . 51419 1 522 . 1 . 1 107 107 ALA N N 15 123.732 0.1 . 1 . . . . . 107 A N . 51419 1 523 . 1 . 1 108 108 ASP H H 1 8.866 0.02 . 1 . . . . . 108 D H . 51419 1 524 . 1 . 1 108 108 ASP HA H 1 4.450 0.1 . 1 . . . . . 108 D HA . 51419 1 525 . 1 . 1 108 108 ASP C C 13 176.467 0.1 . 1 . . . . . 108 D C . 51419 1 526 . 1 . 1 108 108 ASP CA C 13 53.894 0.2 . 1 . . . . . 108 D CA . 51419 1 527 . 1 . 1 108 108 ASP CB C 13 36.526 0.5 . 1 . . . . . 108 D CB . 51419 1 528 . 1 . 1 108 108 ASP N N 15 119.885 0.1 . 1 . . . . . 108 D N . 51419 1 529 . 1 . 1 109 109 GLY H H 1 7.840 0.02 . 1 . . . . . 109 G H . 51419 1 530 . 1 . 1 109 109 GLY HA2 H 1 3.946 0.1 . 1 . . . . . 109 G HA . 51419 1 531 . 1 . 1 109 109 GLY HA3 H 1 3.946 0.1 . 1 . . . . . 109 G HA . 51419 1 532 . 1 . 1 109 109 GLY C C 13 172.899 0.1 . 1 . . . . . 109 G C . 51419 1 533 . 1 . 1 109 109 GLY CA C 13 43.144 0.2 . 1 . . . . . 109 G CA . 51419 1 534 . 1 . 1 109 109 GLY N N 15 108.745 0.1 . 1 . . . . . 109 G N . 51419 1 535 . 1 . 1 110 110 LEU H H 1 7.441 0.02 . 1 . . . . . 110 L H . 51419 1 536 . 1 . 1 110 110 LEU HA H 1 4.355 0.1 . 1 . . . . . 110 L HA . 51419 1 537 . 1 . 1 110 110 LEU C C 13 175.631 0.1 . 1 . . . . . 110 L C . 51419 1 538 . 1 . 1 110 110 LEU CA C 13 52.788 0.2 . 1 . . . . . 110 L CA . 51419 1 539 . 1 . 1 110 110 LEU CB C 13 37.849 0.5 . 1 . . . . . 110 L CB . 51419 1 540 . 1 . 1 110 110 LEU N N 15 121.607 0.1 . 1 . . . . . 110 L N . 51419 1 541 . 1 . 1 111 111 LYS H H 1 7.513 0.02 . 1 . . . . . 111 K H . 51419 1 542 . 1 . 1 111 111 LYS C C 13 174.673 0.1 . 1 . . . . . 111 K C . 51419 1 543 . 1 . 1 111 111 LYS CA C 13 54.338 0.2 . 1 . . . . . 111 K CA . 51419 1 544 . 1 . 1 111 111 LYS CB C 13 28.824 0.5 . 1 . . . . . 111 K CB . 51419 1 545 . 1 . 1 111 111 LYS N N 15 121.410 0.1 . 1 . . . . . 111 K N . 51419 1 546 . 1 . 1 119 119 ASP H H 1 8.117 0.02 . 1 . . . . . 119 D H . 51419 1 547 . 1 . 1 119 119 ASP HA H 1 4.593 0.1 . 1 . . . . . 119 D HA . 51419 1 548 . 1 . 1 119 119 ASP C C 13 172.966 0.1 . 1 . . . . . 119 D C . 51419 1 549 . 1 . 1 119 119 ASP CA C 13 50.979 0.2 . 1 . . . . . 119 D CA . 51419 1 550 . 1 . 1 119 119 ASP CB C 13 37.708 0.5 . 1 . . . . . 119 D CB . 51419 1 551 . 1 . 1 119 119 ASP N N 15 121.730 0.1 . 1 . . . . . 119 D N . 51419 1 552 . 1 . 1 120 120 PHE H H 1 7.975 0.02 . 1 . . . . . 120 F H . 51419 1 553 . 1 . 1 120 120 PHE C C 13 172.181 0.1 . 1 . . . . . 120 F C . 51419 1 554 . 1 . 1 120 120 PHE CA C 13 54.473 0.2 . 1 . . . . . 120 F CA . 51419 1 555 . 1 . 1 120 120 PHE CB C 13 35.669 0.5 . 1 . . . . . 120 F CB . 51419 1 556 . 1 . 1 120 120 PHE N N 15 121.401 0.1 . 1 . . . . . 120 F N . 51419 1 557 . 1 . 1 121 121 ARG H H 1 7.627 0.02 . 1 . . . . . 121 R H . 51419 1 558 . 1 . 1 121 121 ARG C C 13 178.275 0.1 . 1 . . . . . 121 R C . 51419 1 559 . 1 . 1 121 121 ARG CA C 13 54.421 0.2 . 1 . . . . . 121 R CA . 51419 1 560 . 1 . 1 121 121 ARG CB C 13 27.622 0.5 . 1 . . . . . 121 R CB . 51419 1 561 . 1 . 1 121 121 ARG N N 15 128.015 0.1 . 1 . . . . . 121 R N . 51419 1 stop_ save_