data_51682 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51682 _Entry.Title ; Chemical_shift_FAM122A_29-120 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-11-01 _Entry.Accession_date 2022-11-01 _Entry.Last_release_date 2022-11-01 _Entry.Original_release_date 2022-11-01 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'sequence-specific chemical shift assignment of the backbone 1H, 15N, and 13C atoms of Mus musculus FAM122A 29-120' _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 Margaret Vos . R. . . 51682 2 Rebecca Page . . . . 51682 3 Wolfgang Peti . . . . 51682 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51682 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 243 51682 '15N chemical shifts' 83 51682 '1H chemical shifts' 83 51682 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 . . 2024-01-23 2022-11-01 update BMRB 'update entry citation' 51682 1 . . 2023-10-19 2022-11-01 original author 'original release' 51682 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51828 'FAM122A 1-124' 51682 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51682 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38123684 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Cryo-EM structures of PP2A:B55-FAM122A and PP2A:B55-ARPP19 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Nature _Citation.Journal_name_full Nature _Citation.Journal_volume 625 _Citation.Journal_issue 7993 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1476-4687 _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 195 _Citation.Page_last 203 _Citation.Year 2024 _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 Sathish Padi . . . . 51682 1 2 Margaret Vos M. R. . . 51682 1 3 Rachel Godek R. J. . . 51682 1 4 James Fuller J. R. . . 51682 1 5 Thomas Kruse T. . . . 51682 1 6 Jamin Hein J. B. . . 51682 1 7 Jakob Nilsson J. . . . 51682 1 8 Matthew Kelker M. S. . . 51682 1 9 Rebecca Page R. . . . 51682 1 10 Wolfgang Peti W. . . . 51682 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51682 _Assembly.ID 1 _Assembly.Name FAM122A_29-120 _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 FAM122A_29-120 1 $entity_1 . . yes native no no . . . 51682 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51682 _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 ; HMGGGLRRSNSAPLIHGLSD SSPVFQAEAPSARRNSTTFP SRHGLLLPASPVRMHSSRLH QIKQEEGMDLINRETVHERE VQTAMQISHSWEES ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '2 N-terminal residues "HM" are a cloning artifact' _Entity.Polymer_author_seq_details 'FAM122A residues 29-120; 92 residues starting from with GGG' _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 94 _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 10405 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'FAM122A interacts with, and inhibits, the Protein Phosphatase 2A (PP2A):B55 holoenzyme' _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 . HIS . 51682 1 2 . MET . 51682 1 3 . GLY . 51682 1 4 . GLY . 51682 1 5 . GLY . 51682 1 6 . LEU . 51682 1 7 . ARG . 51682 1 8 . ARG . 51682 1 9 . SER . 51682 1 10 . ASN . 51682 1 11 . SER . 51682 1 12 . ALA . 51682 1 13 . PRO . 51682 1 14 . LEU . 51682 1 15 . ILE . 51682 1 16 . HIS . 51682 1 17 . GLY . 51682 1 18 . LEU . 51682 1 19 . SER . 51682 1 20 . ASP . 51682 1 21 . SER . 51682 1 22 . SER . 51682 1 23 . PRO . 51682 1 24 . VAL . 51682 1 25 . PHE . 51682 1 26 . GLN . 51682 1 27 . ALA . 51682 1 28 . GLU . 51682 1 29 . ALA . 51682 1 30 . PRO . 51682 1 31 . SER . 51682 1 32 . ALA . 51682 1 33 . ARG . 51682 1 34 . ARG . 51682 1 35 . ASN . 51682 1 36 . SER . 51682 1 37 . THR . 51682 1 38 . THR . 51682 1 39 . PHE . 51682 1 40 . PRO . 51682 1 41 . SER . 51682 1 42 . ARG . 51682 1 43 . HIS . 51682 1 44 . GLY . 51682 1 45 . LEU . 51682 1 46 . LEU . 51682 1 47 . LEU . 51682 1 48 . PRO . 51682 1 49 . ALA . 51682 1 50 . SER . 51682 1 51 . PRO . 51682 1 52 . VAL . 51682 1 53 . ARG . 51682 1 54 . MET . 51682 1 55 . HIS . 51682 1 56 . SER . 51682 1 57 . SER . 51682 1 58 . ARG . 51682 1 59 . LEU . 51682 1 60 . HIS . 51682 1 61 . GLN . 51682 1 62 . ILE . 51682 1 63 . LYS . 51682 1 64 . GLN . 51682 1 65 . GLU . 51682 1 66 . GLU . 51682 1 67 . GLY . 51682 1 68 . MET . 51682 1 69 . ASP . 51682 1 70 . LEU . 51682 1 71 . ILE . 51682 1 72 . ASN . 51682 1 73 . ARG . 51682 1 74 . GLU . 51682 1 75 . THR . 51682 1 76 . VAL . 51682 1 77 . HIS . 51682 1 78 . GLU . 51682 1 79 . ARG . 51682 1 80 . GLU . 51682 1 81 . VAL . 51682 1 82 . GLN . 51682 1 83 . THR . 51682 1 84 . ALA . 51682 1 85 . MET . 51682 1 86 . GLN . 51682 1 87 . ILE . 51682 1 88 . SER . 51682 1 89 . HIS . 51682 1 90 . SER . 51682 1 91 . TRP . 51682 1 92 . GLU . 51682 1 93 . GLU . 51682 1 94 . SER . 51682 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 . HIS 1 1 51682 1 . MET 2 2 51682 1 . GLY 3 3 51682 1 . GLY 4 4 51682 1 . GLY 5 5 51682 1 . LEU 6 6 51682 1 . ARG 7 7 51682 1 . ARG 8 8 51682 1 . SER 9 9 51682 1 . ASN 10 10 51682 1 . SER 11 11 51682 1 . ALA 12 12 51682 1 . PRO 13 13 51682 1 . LEU 14 14 51682 1 . ILE 15 15 51682 1 . HIS 16 16 51682 1 . GLY 17 17 51682 1 . LEU 18 18 51682 1 . SER 19 19 51682 1 . ASP 20 20 51682 1 . SER 21 21 51682 1 . SER 22 22 51682 1 . PRO 23 23 51682 1 . VAL 24 24 51682 1 . PHE 25 25 51682 1 . GLN 26 26 51682 1 . ALA 27 27 51682 1 . GLU 28 28 51682 1 . ALA 29 29 51682 1 . PRO 30 30 51682 1 . SER 31 31 51682 1 . ALA 32 32 51682 1 . ARG 33 33 51682 1 . ARG 34 34 51682 1 . ASN 35 35 51682 1 . SER 36 36 51682 1 . THR 37 37 51682 1 . THR 38 38 51682 1 . PHE 39 39 51682 1 . PRO 40 40 51682 1 . SER 41 41 51682 1 . ARG 42 42 51682 1 . HIS 43 43 51682 1 . GLY 44 44 51682 1 . LEU 45 45 51682 1 . LEU 46 46 51682 1 . LEU 47 47 51682 1 . PRO 48 48 51682 1 . ALA 49 49 51682 1 . SER 50 50 51682 1 . PRO 51 51 51682 1 . VAL 52 52 51682 1 . ARG 53 53 51682 1 . MET 54 54 51682 1 . HIS 55 55 51682 1 . SER 56 56 51682 1 . SER 57 57 51682 1 . ARG 58 58 51682 1 . LEU 59 59 51682 1 . HIS 60 60 51682 1 . GLN 61 61 51682 1 . ILE 62 62 51682 1 . LYS 63 63 51682 1 . GLN 64 64 51682 1 . GLU 65 65 51682 1 . GLU 66 66 51682 1 . GLY 67 67 51682 1 . MET 68 68 51682 1 . ASP 69 69 51682 1 . LEU 70 70 51682 1 . ILE 71 71 51682 1 . ASN 72 72 51682 1 . ARG 73 73 51682 1 . GLU 74 74 51682 1 . THR 75 75 51682 1 . VAL 76 76 51682 1 . HIS 77 77 51682 1 . GLU 78 78 51682 1 . ARG 79 79 51682 1 . GLU 80 80 51682 1 . VAL 81 81 51682 1 . GLN 82 82 51682 1 . THR 83 83 51682 1 . ALA 84 84 51682 1 . MET 85 85 51682 1 . GLN 86 86 51682 1 . ILE 87 87 51682 1 . SER 88 88 51682 1 . HIS 89 89 51682 1 . SER 90 90 51682 1 . TRP 91 91 51682 1 . GLU 92 92 51682 1 . GLU 93 93 51682 1 . SER 94 94 51682 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 51682 _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 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 51682 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 51682 _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 'BL21 (DE3)' . . plasmid . . pTHMT . . . 51682 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51682 _Sample.ID 1 _Sample.Name FAM122A_29-120 _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 FAM122A_29-120 '[U-99% 15N]' . . 1 $entity_1 . . 400 . . uM . . . . 51682 1 2 FAM122A_29-120 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 400 . . uM . . . . 51682 1 3 Na2HPO4 'natural abundance' . . . . . . 20 . . mM . . . . 51682 1 4 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 51682 1 5 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 51682 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 51682 _Sample_condition_list.ID 1 _Sample_condition_list.Name FAM122A_29-120_conditions _Sample_condition_list.Details '20 mM Na2HPO4 pH 6.3, 150 mM NaCl, 0.5 mM TCEP, 283 K' 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' 150 . mM 51682 1 pH 6.3 . pH 51682 1 pressure 1 . atm 51682 1 temperature 283 . K 51682 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51682 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.1.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51682 1 processing . 51682 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51682 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version CARA_1.9 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51682 2 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 51682 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'NMR spectrometer' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51682 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51682 1 2 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51682 1 3 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51682 1 4 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51682 1 5 '3D HN(CO)CA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51682 1 6 '3D HN(CA)CO' no . no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51682 1 7 '3D CBCA(CO)NH' no . no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51682 1 8 '3D (H)CC(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51682 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 51682 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name chem_shift_reference _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.2514495 . . . . . 51682 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 51682 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.1013291 . . . . . 51682 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 51682 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name FAM122A_29-120 _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' . . . 51682 1 2 '3D HNCA' . . . 51682 1 3 '3D HNCACB' . . . 51682 1 4 '3D HNCO' . . . 51682 1 5 '3D HN(CO)CA' . . . 51682 1 6 '3D HN(CA)CO' . . . 51682 1 7 '3D CBCA(CO)NH' . . . 51682 1 8 '3D (H)CC(CO)NH' . . . 51682 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 2 $software_2 . . 51682 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 2 2 MET H H 1 8.465 0.02 . 1 . . . . . 2 MET H . 51682 1 2 . 1 . 1 2 2 MET C C 13 173.797 0.3 . 1 . . . . . 2 MET C . 51682 1 3 . 1 . 1 2 2 MET CA C 13 52.448 0.3 . 1 . . . . . 2 MET CA . 51682 1 4 . 1 . 1 2 2 MET CB C 13 29.588 0.3 . 1 . . . . . 2 MET CB . 51682 1 5 . 1 . 1 2 2 MET N N 15 122.806 0.3 . 1 . . . . . 2 MET N . 51682 1 6 . 1 . 1 3 3 GLY H H 1 8.351 0.02 . 1 . . . . . 3 GLY H . 51682 1 7 . 1 . 1 3 3 GLY C C 13 171.827 0.3 . 1 . . . . . 3 GLY C . 51682 1 8 . 1 . 1 3 3 GLY CA C 13 42.354 0.3 . 1 . . . . . 3 GLY CA . 51682 1 9 . 1 . 1 3 3 GLY N N 15 110.591 0.3 . 1 . . . . . 3 GLY N . 51682 1 10 . 1 . 1 5 5 GLY H H 1 8.2 0.02 . 1 . . . . . 5 GLY H . 51682 1 11 . 1 . 1 5 5 GLY C C 13 171.178 0.3 . 1 . . . . . 5 GLY C . 51682 1 12 . 1 . 1 5 5 GLY CA C 13 42.262 0.3 . 1 . . . . . 5 GLY CA . 51682 1 13 . 1 . 1 5 5 GLY N N 15 108.749 0.3 . 1 . . . . . 5 GLY N . 51682 1 14 . 1 . 1 6 6 LEU H H 1 7.988 0.02 . 1 . . . . . 6 LEU H . 51682 1 15 . 1 . 1 6 6 LEU C C 13 174.575 0.3 . 1 . . . . . 6 LEU C . 51682 1 16 . 1 . 1 6 6 LEU CA C 13 52.21 0.3 . 1 . . . . . 6 LEU CA . 51682 1 17 . 1 . 1 6 6 LEU CB C 13 39.363 0.3 . 1 . . . . . 6 LEU CB . 51682 1 18 . 1 . 1 6 6 LEU N N 15 121.472 0.3 . 1 . . . . . 6 LEU N . 51682 1 19 . 1 . 1 7 7 ARG H H 1 8.213 0.02 . 1 . . . . . 7 ARG H . 51682 1 20 . 1 . 1 7 7 ARG C C 13 173.359 0.3 . 1 . . . . . 7 ARG C . 51682 1 21 . 1 . 1 7 7 ARG CA C 13 52.967 0.3 . 1 . . . . . 7 ARG CA . 51682 1 22 . 1 . 1 7 7 ARG CB C 13 27.599 0.3 . 1 . . . . . 7 ARG CB . 51682 1 23 . 1 . 1 7 7 ARG N N 15 122.226 0.3 . 1 . . . . . 7 ARG N . 51682 1 24 . 1 . 1 8 8 ARG H H 1 8.273 0.02 . 1 . . . . . 8 ARG H . 51682 1 25 . 1 . 1 8 8 ARG C C 13 173.525 0.3 . 1 . . . . . 8 ARG C . 51682 1 26 . 1 . 1 8 8 ARG CA C 13 53.118 0.3 . 1 . . . . . 8 ARG CA . 51682 1 27 . 1 . 1 8 8 ARG CB C 13 27.826 0.3 . 1 . . . . . 8 ARG CB . 51682 1 28 . 1 . 1 8 8 ARG N N 15 122.971 0.3 . 1 . . . . . 8 ARG N . 51682 1 29 . 1 . 1 9 9 SER H H 1 8.29 0.02 . 1 . . . . . 9 SER H . 51682 1 30 . 1 . 1 9 9 SER C C 13 171.499 0.3 . 1 . . . . . 9 SER C . 51682 1 31 . 1 . 1 9 9 SER CA C 13 55.447 0.3 . 1 . . . . . 9 SER CA . 51682 1 32 . 1 . 1 9 9 SER CB C 13 60.79 0.3 . 1 . . . . . 9 SER CB . 51682 1 33 . 1 . 1 9 9 SER N N 15 117.235 0.3 . 1 . . . . . 9 SER N . 51682 1 34 . 1 . 1 10 10 ASN H H 1 8.384 0.02 . 1 . . . . . 10 ASN H . 51682 1 35 . 1 . 1 10 10 ASN C C 13 172.289 0.3 . 1 . . . . . 10 ASN C . 51682 1 36 . 1 . 1 10 10 ASN CA C 13 50.332 0.3 . 1 . . . . . 10 ASN CA . 51682 1 37 . 1 . 1 10 10 ASN CB C 13 35.783 0.3 . 1 . . . . . 10 ASN CB . 51682 1 38 . 1 . 1 10 10 ASN N N 15 120.947 0.3 . 1 . . . . . 10 ASN N . 51682 1 39 . 1 . 1 11 11 SER H H 1 8.045 0.02 . 1 . . . . . 11 SER H . 51682 1 40 . 1 . 1 11 11 SER C C 13 170.77 0.3 . 1 . . . . . 11 SER C . 51682 1 41 . 1 . 1 11 11 SER CA C 13 55.388 0.3 . 1 . . . . . 11 SER CA . 51682 1 42 . 1 . 1 11 11 SER CB C 13 60.878 0.3 . 1 . . . . . 11 SER CB . 51682 1 43 . 1 . 1 11 11 SER N N 15 115.787 0.3 . 1 . . . . . 11 SER N . 51682 1 44 . 1 . 1 12 12 ALA H H 1 8.066 0.02 . 1 . . . . . 12 ALA H . 51682 1 45 . 1 . 1 12 12 ALA C C 13 172.401 0.3 . 1 . . . . . 12 ALA C . 51682 1 46 . 1 . 1 12 12 ALA CA C 13 47.81 0.3 . 1 . . . . . 12 ALA CA . 51682 1 47 . 1 . 1 12 12 ALA CB C 13 15.095 0.3 . 1 . . . . . 12 ALA CB . 51682 1 48 . 1 . 1 12 12 ALA N N 15 127.039 0.3 . 1 . . . . . 12 ALA N . 51682 1 49 . 1 . 1 15 15 ILE H H 1 7.957 0.02 . 1 . . . . . 15 ILE H . 51682 1 50 . 1 . 1 15 15 ILE C C 13 173.056 0.3 . 1 . . . . . 15 ILE C . 51682 1 51 . 1 . 1 15 15 ILE CA C 13 57.744 0.3 . 1 . . . . . 15 ILE CA . 51682 1 52 . 1 . 1 15 15 ILE CB C 13 35.555 0.3 . 1 . . . . . 15 ILE CB . 51682 1 53 . 1 . 1 15 15 ILE N N 15 122.099 0.3 . 1 . . . . . 15 ILE N . 51682 1 54 . 1 . 1 16 16 HIS H H 1 8.394 0.02 . 1 . . . . . 16 HIS H . 51682 1 55 . 1 . 1 16 16 HIS C C 13 172.234 0.3 . 1 . . . . . 16 HIS C . 51682 1 56 . 1 . 1 16 16 HIS CA C 13 52.719 0.3 . 1 . . . . . 16 HIS CA . 51682 1 57 . 1 . 1 16 16 HIS CB C 13 26.633 0.3 . 1 . . . . . 16 HIS CB . 51682 1 58 . 1 . 1 16 16 HIS N N 15 123.37 0.3 . 1 . . . . . 16 HIS N . 51682 1 59 . 1 . 1 17 17 GLY H H 1 8.297 0.02 . 1 . . . . . 17 GLY H . 51682 1 60 . 1 . 1 17 17 GLY C C 13 171.073 0.3 . 1 . . . . . 17 GLY C . 51682 1 61 . 1 . 1 17 17 GLY CA C 13 42.183 0.3 . 1 . . . . . 17 GLY CA . 51682 1 62 . 1 . 1 17 17 GLY N N 15 110.338 0.3 . 1 . . . . . 17 GLY N . 51682 1 63 . 1 . 1 18 18 LEU H H 1 8.073 0.02 . 1 . . . . . 18 LEU H . 51682 1 64 . 1 . 1 18 18 LEU C C 13 174.884 0.3 . 1 . . . . . 18 LEU C . 51682 1 65 . 1 . 1 18 18 LEU CA C 13 52.321 0.3 . 1 . . . . . 18 LEU CA . 51682 1 66 . 1 . 1 18 18 LEU CB C 13 39.477 0.3 . 1 . . . . . 18 LEU CB . 51682 1 67 . 1 . 1 18 18 LEU N N 15 121.585 0.3 . 1 . . . . . 18 LEU N . 51682 1 68 . 1 . 1 19 19 SER H H 1 8.235 0.02 . 1 . . . . . 19 SER H . 51682 1 69 . 1 . 1 19 19 SER C C 13 171.456 0.3 . 1 . . . . . 19 SER C . 51682 1 70 . 1 . 1 19 19 SER CA C 13 55.431 0.3 . 1 . . . . . 19 SER CA . 51682 1 71 . 1 . 1 19 19 SER CB C 13 60.846 0.3 . 1 . . . . . 19 SER CB . 51682 1 72 . 1 . 1 19 19 SER N N 15 116.025 0.3 . 1 . . . . . 19 SER N . 51682 1 73 . 1 . 1 20 20 ASP H H 1 8.151 0.02 . 1 . . . . . 20 ASP H . 51682 1 74 . 1 . 1 20 20 ASP C C 13 173.278 0.3 . 1 . . . . . 20 ASP C . 51682 1 75 . 1 . 1 20 20 ASP CA C 13 51.605 0.3 . 1 . . . . . 20 ASP CA . 51682 1 76 . 1 . 1 20 20 ASP CB C 13 38.056 0.3 . 1 . . . . . 20 ASP CB . 51682 1 77 . 1 . 1 20 20 ASP N N 15 122.328 0.3 . 1 . . . . . 20 ASP N . 51682 1 78 . 1 . 1 21 21 SER H H 1 8.041 0.02 . 1 . . . . . 21 SER H . 51682 1 79 . 1 . 1 21 21 SER C C 13 171.363 0.3 . 1 . . . . . 21 SER C . 51682 1 80 . 1 . 1 21 21 SER CA C 13 55.323 0.3 . 1 . . . . . 21 SER CA . 51682 1 81 . 1 . 1 21 21 SER CB C 13 60.878 0.3 . 1 . . . . . 21 SER CB . 51682 1 82 . 1 . 1 21 21 SER N N 15 115.641 0.3 . 1 . . . . . 21 SER N . 51682 1 83 . 1 . 1 22 22 SER H H 1 8.121 0.02 . 1 . . . . . 22 SER H . 51682 1 84 . 1 . 1 22 22 SER C C 13 175.637 0.3 . 1 . . . . . 22 SER C . 51682 1 85 . 1 . 1 22 22 SER CA C 13 53.799 0.3 . 1 . . . . . 22 SER CA . 51682 1 86 . 1 . 1 22 22 SER CB C 13 60.278 0.3 . 1 . . . . . 22 SER CB . 51682 1 87 . 1 . 1 22 22 SER N N 15 119.089 0.3 . 1 . . . . . 22 SER N . 51682 1 88 . 1 . 1 24 24 VAL H H 1 7.966 0.02 . 1 . . . . . 24 VAL H . 51682 1 89 . 1 . 1 24 24 VAL C C 13 173.013 0.3 . 1 . . . . . 24 VAL C . 51682 1 90 . 1 . 1 24 24 VAL CA C 13 59.257 0.3 . 1 . . . . . 24 VAL CA . 51682 1 91 . 1 . 1 24 24 VAL CB C 13 29.702 0.3 . 1 . . . . . 24 VAL CB . 51682 1 92 . 1 . 1 24 24 VAL N N 15 120.111 0.3 . 1 . . . . . 24 VAL N . 51682 1 93 . 1 . 1 25 25 PHE H H 1 8.157 0.02 . 1 . . . . . 25 PHE H . 51682 1 94 . 1 . 1 25 25 PHE C C 13 172.346 0.3 . 1 . . . . . 25 PHE C . 51682 1 95 . 1 . 1 25 25 PHE CA C 13 54.879 0.3 . 1 . . . . . 25 PHE CA . 51682 1 96 . 1 . 1 25 25 PHE CB C 13 36.749 0.3 . 1 . . . . . 25 PHE CB . 51682 1 97 . 1 . 1 25 25 PHE N N 15 124.533 0.3 . 1 . . . . . 25 PHE N . 51682 1 98 . 1 . 1 26 26 GLN H H 1 8.026 0.02 . 1 . . . . . 26 GLN H . 51682 1 99 . 1 . 1 26 26 GLN C C 13 171.845 0.3 . 1 . . . . . 26 GLN C . 51682 1 100 . 1 . 1 26 26 GLN CA C 13 52.081 0.3 . 1 . . . . . 26 GLN CA . 51682 1 101 . 1 . 1 26 26 GLN CB C 13 26.689 0.3 . 1 . . . . . 26 GLN CB . 51682 1 102 . 1 . 1 26 26 GLN N N 15 123.521 0.3 . 1 . . . . . 26 GLN N . 51682 1 103 . 1 . 1 27 27 ALA H H 1 8.122 0.02 . 1 . . . . . 27 ALA H . 51682 1 104 . 1 . 1 27 27 ALA C C 13 174.68 0.3 . 1 . . . . . 27 ALA C . 51682 1 105 . 1 . 1 27 27 ALA CA C 13 49.595 0.3 . 1 . . . . . 27 ALA CA . 51682 1 106 . 1 . 1 27 27 ALA CB C 13 16.232 0.3 . 1 . . . . . 27 ALA CB . 51682 1 107 . 1 . 1 27 27 ALA N N 15 126.025 0.3 . 1 . . . . . 27 ALA N . 51682 1 108 . 1 . 1 28 28 GLU H H 1 8.218 0.02 . 1 . . . . . 28 GLU H . 51682 1 109 . 1 . 1 28 28 GLU C C 13 172.951 0.3 . 1 . . . . . 28 GLU C . 51682 1 110 . 1 . 1 28 28 GLU CA C 13 53.117 0.3 . 1 . . . . . 28 GLU CA . 51682 1 111 . 1 . 1 28 28 GLU CB C 13 27.485 0.3 . 1 . . . . . 28 GLU CB . 51682 1 112 . 1 . 1 28 28 GLU N N 15 120.03 0.3 . 1 . . . . . 28 GLU N . 51682 1 113 . 1 . 1 29 29 ALA H H 1 8.251 0.02 . 1 . . . . . 29 ALA H . 51682 1 114 . 1 . 1 29 29 ALA C C 13 172.846 0.3 . 1 . . . . . 29 ALA C . 51682 1 115 . 1 . 1 29 29 ALA CA C 13 47.618 0.3 . 1 . . . . . 29 ALA CA . 51682 1 116 . 1 . 1 29 29 ALA CB C 13 14.982 0.3 . 1 . . . . . 29 ALA CB . 51682 1 117 . 1 . 1 29 29 ALA N N 15 126.967 0.3 . 1 . . . . . 29 ALA N . 51682 1 118 . 1 . 1 31 31 SER H H 1 8.39 0.02 . 1 . . . . . 31 SER H . 51682 1 119 . 1 . 1 31 31 SER C C 13 171.882 0.3 . 1 . . . . . 31 SER C . 51682 1 120 . 1 . 1 31 31 SER CA C 13 55.618 0.3 . 1 . . . . . 31 SER CA . 51682 1 121 . 1 . 1 31 31 SER CB C 13 60.733 0.3 . 1 . . . . . 31 SER CB . 51682 1 122 . 1 . 1 31 31 SER N N 15 116.787 0.3 . 1 . . . . . 31 SER N . 51682 1 123 . 1 . 1 32 32 ALA H H 1 8.113 0.02 . 1 . . . . . 32 ALA H . 51682 1 124 . 1 . 1 32 32 ALA C C 13 174.921 0.3 . 1 . . . . . 32 ALA C . 51682 1 125 . 1 . 1 32 32 ALA CA C 13 49.681 0.3 . 1 . . . . . 32 ALA CA . 51682 1 126 . 1 . 1 32 32 ALA CB C 13 16.175 0.3 . 1 . . . . . 32 ALA CB . 51682 1 127 . 1 . 1 32 32 ALA N N 15 125.69 0.3 . 1 . . . . . 32 ALA N . 51682 1 128 . 1 . 1 33 33 ARG H H 1 7.994 0.02 . 1 . . . . . 33 ARG H . 51682 1 129 . 1 . 1 33 33 ARG C C 13 173.599 0.3 . 1 . . . . . 33 ARG C . 51682 1 130 . 1 . 1 33 33 ARG CA C 13 53.288 0.3 . 1 . . . . . 33 ARG CA . 51682 1 131 . 1 . 1 33 33 ARG CB C 13 27.656 0.3 . 1 . . . . . 33 ARG CB . 51682 1 132 . 1 . 1 33 33 ARG N N 15 119.736 0.3 . 1 . . . . . 33 ARG N . 51682 1 133 . 1 . 1 35 35 ASN H H 1 8.356 0.02 . 1 . . . . . 35 ASN H . 51682 1 134 . 1 . 1 35 35 ASN C C 13 172.414 0.3 . 1 . . . . . 35 ASN C . 51682 1 135 . 1 . 1 35 35 ASN CA C 13 50.275 0.3 . 1 . . . . . 35 ASN CA . 51682 1 136 . 1 . 1 35 35 ASN CB C 13 35.84 0.3 . 1 . . . . . 35 ASN CB . 51682 1 137 . 1 . 1 35 35 ASN N N 15 119.997 0.3 . 1 . . . . . 35 ASN N . 51682 1 138 . 1 . 1 36 36 SER H H 1 8.166 0.02 . 1 . . . . . 36 SER H . 51682 1 139 . 1 . 1 36 36 SER C C 13 171.913 0.3 . 1 . . . . . 36 SER C . 51682 1 140 . 1 . 1 36 36 SER CA C 13 55.618 0.3 . 1 . . . . . 36 SER CA . 51682 1 141 . 1 . 1 36 36 SER CB C 13 60.79 0.3 . 1 . . . . . 36 SER CB . 51682 1 142 . 1 . 1 36 36 SER N N 15 116.215 0.3 . 1 . . . . . 36 SER N . 51682 1 143 . 1 . 1 37 37 THR H H 1 8.078 0.02 . 1 . . . . . 37 THR H . 51682 1 144 . 1 . 1 37 37 THR C C 13 171.598 0.3 . 1 . . . . . 37 THR C . 51682 1 145 . 1 . 1 37 37 THR CA C 13 59.452 0.3 . 1 . . . . . 37 THR CA . 51682 1 146 . 1 . 1 37 37 THR CB C 13 66.53 0.3 . 1 . . . . . 37 THR CB . 51682 1 147 . 1 . 1 37 37 THR N N 15 115.701 0.3 . 1 . . . . . 37 THR N . 51682 1 148 . 1 . 1 38 38 THR H H 1 7.827 0.02 . 1 . . . . . 38 THR H . 51682 1 149 . 1 . 1 38 38 THR C C 13 170.819 0.3 . 1 . . . . . 38 THR C . 51682 1 150 . 1 . 1 38 38 THR CA C 13 59.028 0.3 . 1 . . . . . 38 THR CA . 51682 1 151 . 1 . 1 38 38 THR CB C 13 66.757 0.3 . 1 . . . . . 38 THR CB . 51682 1 152 . 1 . 1 38 38 THR N N 15 116.242 0.3 . 1 . . . . . 38 THR N . 51682 1 153 . 1 . 1 39 39 PHE H H 1 8.1 0.02 . 1 . . . . . 39 PHE H . 51682 1 154 . 1 . 1 39 39 PHE C C 13 170.857 0.3 . 1 . . . . . 39 PHE C . 51682 1 155 . 1 . 1 39 39 PHE CA C 13 52.833 0.3 . 1 . . . . . 39 PHE CA . 51682 1 156 . 1 . 1 39 39 PHE CB C 13 36.01 0.3 . 1 . . . . . 39 PHE CB . 51682 1 157 . 1 . 1 39 39 PHE N N 15 123.248 0.3 . 1 . . . . . 39 PHE N . 51682 1 158 . 1 . 1 41 41 SER H H 1 8.223 0.02 . 1 . . . . . 41 SER H . 51682 1 159 . 1 . 1 41 41 SER C C 13 171.974 0.3 . 1 . . . . . 41 SER C . 51682 1 160 . 1 . 1 41 41 SER CA C 13 55.488 0.3 . 1 . . . . . 41 SER CA . 51682 1 161 . 1 . 1 41 41 SER CB C 13 60.846 0.3 . 1 . . . . . 41 SER CB . 51682 1 162 . 1 . 1 41 41 SER N N 15 115.933 0.3 . 1 . . . . . 41 SER N . 51682 1 163 . 1 . 1 42 42 ARG H H 1 8.257 0.02 . 1 . . . . . 42 ARG H . 51682 1 164 . 1 . 1 42 42 ARG C C 13 173.247 0.3 . 1 . . . . . 42 ARG C . 51682 1 165 . 1 . 1 42 42 ARG CA C 13 53.14 0.3 . 1 . . . . . 42 ARG CA . 51682 1 166 . 1 . 1 42 42 ARG CB C 13 27.769 0.3 . 1 . . . . . 42 ARG CB . 51682 1 167 . 1 . 1 42 42 ARG N N 15 122.703 0.3 . 1 . . . . . 42 ARG N . 51682 1 168 . 1 . 1 43 43 HIS H H 1 8.23 0.02 . 1 . . . . . 43 HIS H . 51682 1 169 . 1 . 1 43 43 HIS C C 13 172.407 0.3 . 1 . . . . . 43 HIS C . 51682 1 170 . 1 . 1 43 43 HIS CA C 13 53.032 0.3 . 1 . . . . . 43 HIS CA . 51682 1 171 . 1 . 1 43 43 HIS CB C 13 27.03 0.3 . 1 . . . . . 43 HIS CB . 51682 1 172 . 1 . 1 43 43 HIS N N 15 119.585 0.3 . 1 . . . . . 43 HIS N . 51682 1 173 . 1 . 1 44 44 GLY H H 1 8.225 0.02 . 1 . . . . . 44 GLY H . 51682 1 174 . 1 . 1 44 44 GLY C C 13 170.894 0.3 . 1 . . . . . 44 GLY C . 51682 1 175 . 1 . 1 44 44 GLY CA C 13 42.262 0.3 . 1 . . . . . 44 GLY CA . 51682 1 176 . 1 . 1 44 44 GLY N N 15 109.862 0.3 . 1 . . . . . 44 GLY N . 51682 1 177 . 1 . 1 45 45 LEU H H 1 7.904 0.02 . 1 . . . . . 45 LEU H . 51682 1 178 . 1 . 1 45 45 LEU C C 13 174.173 0.3 . 1 . . . . . 45 LEU C . 51682 1 179 . 1 . 1 45 45 LEU CA C 13 52.249 0.3 . 1 . . . . . 45 LEU CA . 51682 1 180 . 1 . 1 45 45 LEU CB C 13 39.267 0.3 . 1 . . . . . 45 LEU CB . 51682 1 181 . 1 . 1 45 45 LEU N N 15 121.469 0.3 . 1 . . . . . 45 LEU N . 51682 1 182 . 1 . 1 46 46 LEU H H 1 8.094 0.02 . 1 . . . . . 46 LEU H . 51682 1 183 . 1 . 1 46 46 LEU C C 13 173.853 0.3 . 1 . . . . . 46 LEU C . 51682 1 184 . 1 . 1 46 46 LEU CA C 13 51.867 0.3 . 1 . . . . . 46 LEU CA . 51682 1 185 . 1 . 1 46 46 LEU CB C 13 39.193 0.3 . 1 . . . . . 46 LEU CB . 51682 1 186 . 1 . 1 46 46 LEU N N 15 123.314 0.3 . 1 . . . . . 46 LEU N . 51682 1 187 . 1 . 1 47 47 LEU H H 1 8.046 0.02 . 1 . . . . . 47 LEU H . 51682 1 188 . 1 . 1 47 47 LEU C C 13 172.105 0.3 . 1 . . . . . 47 LEU C . 51682 1 189 . 1 . 1 47 47 LEU CA C 13 49.854 0.3 . 1 . . . . . 47 LEU CA . 51682 1 190 . 1 . 1 47 47 LEU CB C 13 38.738 0.3 . 1 . . . . . 47 LEU CB . 51682 1 191 . 1 . 1 47 47 LEU N N 15 124.933 0.3 . 1 . . . . . 47 LEU N . 51682 1 192 . 1 . 1 49 49 ALA H H 1 8.238 0.02 . 1 . . . . . 49 ALA H . 51682 1 193 . 1 . 1 49 49 ALA C C 13 174.73 0.3 . 1 . . . . . 49 ALA C . 51682 1 194 . 1 . 1 49 49 ALA CA C 13 49.309 0.3 . 1 . . . . . 49 ALA CA . 51682 1 195 . 1 . 1 49 49 ALA CB C 13 16.232 0.3 . 1 . . . . . 49 ALA CB . 51682 1 196 . 1 . 1 49 49 ALA N N 15 124.305 0.3 . 1 . . . . . 49 ALA N . 51682 1 197 . 1 . 1 50 50 SER H H 1 8.15 0.02 . 1 . . . . . 50 SER H . 51682 1 198 . 1 . 1 50 50 SER C C 13 175.866 0.3 . 1 . . . . . 50 SER C . 51682 1 199 . 1 . 1 50 50 SER CA C 13 53.507 0.3 . 1 . . . . . 50 SER CA . 51682 1 200 . 1 . 1 50 50 SER CB C 13 60.335 0.3 . 1 . . . . . 50 SER CB . 51682 1 201 . 1 . 1 50 50 SER N N 15 116.658 0.3 . 1 . . . . . 50 SER N . 51682 1 202 . 1 . 1 52 52 VAL H H 1 8.027 0.02 . 1 . . . . . 52 VAL H . 51682 1 203 . 1 . 1 52 52 VAL C C 13 173.334 0.3 . 1 . . . . . 52 VAL C . 51682 1 204 . 1 . 1 52 52 VAL CA C 13 59.56 0.3 . 1 . . . . . 52 VAL CA . 51682 1 205 . 1 . 1 52 52 VAL CB C 13 29.474 0.3 . 1 . . . . . 52 VAL CB . 51682 1 206 . 1 . 1 52 52 VAL N N 15 120.78 0.3 . 1 . . . . . 52 VAL N . 51682 1 207 . 1 . 1 53 53 ARG H H 1 8.23 0.02 . 1 . . . . . 53 ARG H . 51682 1 208 . 1 . 1 53 53 ARG C C 13 173.235 0.3 . 1 . . . . . 53 ARG C . 51682 1 209 . 1 . 1 53 53 ARG CA C 13 53.028 0.3 . 1 . . . . . 53 ARG CA . 51682 1 210 . 1 . 1 53 53 ARG CB C 13 27.712 0.3 . 1 . . . . . 53 ARG CB . 51682 1 211 . 1 . 1 53 53 ARG N N 15 125.238 0.3 . 1 . . . . . 53 ARG N . 51682 1 212 . 1 . 1 54 54 MET H H 1 8.271 0.02 . 1 . . . . . 54 MET H . 51682 1 213 . 1 . 1 54 54 MET C C 13 173.179 0.3 . 1 . . . . . 54 MET C . 51682 1 214 . 1 . 1 54 54 MET CA C 13 52.427 0.3 . 1 . . . . . 54 MET CA . 51682 1 215 . 1 . 1 54 54 MET CB C 13 29.929 0.3 . 1 . . . . . 54 MET CB . 51682 1 216 . 1 . 1 54 54 MET N N 15 122.06 0.3 . 1 . . . . . 54 MET N . 51682 1 217 . 1 . 1 55 55 HIS H H 1 8.342 0.02 . 1 . . . . . 55 HIS H . 51682 1 218 . 1 . 1 55 55 HIS C C 13 172.21 0.3 . 1 . . . . . 55 HIS C . 51682 1 219 . 1 . 1 55 55 HIS CA C 13 53.174 0.3 . 1 . . . . . 55 HIS CA . 51682 1 220 . 1 . 1 55 55 HIS CB C 13 27.087 0.3 . 1 . . . . . 55 HIS CB . 51682 1 221 . 1 . 1 55 55 HIS N N 15 120.552 0.3 . 1 . . . . . 55 HIS N . 51682 1 222 . 1 . 1 56 56 SER H H 1 8.238 0.02 . 1 . . . . . 56 SER H . 51682 1 223 . 1 . 1 56 56 SER C C 13 171.857 0.3 . 1 . . . . . 56 SER C . 51682 1 224 . 1 . 1 56 56 SER CA C 13 55.618 0.3 . 1 . . . . . 56 SER CA . 51682 1 225 . 1 . 1 56 56 SER CB C 13 60.79 0.3 . 1 . . . . . 56 SER CB . 51682 1 226 . 1 . 1 56 56 SER N N 15 117.397 0.3 . 1 . . . . . 56 SER N . 51682 1 227 . 1 . 1 57 57 SER H H 1 8.389 0.02 . 1 . . . . . 57 SER H . 51682 1 228 . 1 . 1 57 57 SER C C 13 171.889 0.3 . 1 . . . . . 57 SER C . 51682 1 229 . 1 . 1 57 57 SER CA C 13 55.675 0.3 . 1 . . . . . 57 SER CA . 51682 1 230 . 1 . 1 57 57 SER CB C 13 60.77 0.3 . 1 . . . . . 57 SER CB . 51682 1 231 . 1 . 1 57 57 SER N N 15 118.339 0.3 . 1 . . . . . 57 SER N . 51682 1 232 . 1 . 1 58 58 ARG H H 1 8.169 0.02 . 1 . . . . . 58 ARG H . 51682 1 233 . 1 . 1 58 58 ARG C C 13 173.519 0.3 . 1 . . . . . 58 ARG C . 51682 1 234 . 1 . 1 58 58 ARG CA C 13 53.486 0.3 . 1 . . . . . 58 ARG CA . 51682 1 235 . 1 . 1 58 58 ARG CB C 13 27.599 0.3 . 1 . . . . . 58 ARG CB . 51682 1 236 . 1 . 1 58 58 ARG N N 15 122.731 0.3 . 1 . . . . . 58 ARG N . 51682 1 237 . 1 . 1 59 59 LEU H H 1 7.926 0.02 . 1 . . . . . 59 LEU H . 51682 1 238 . 1 . 1 59 59 LEU C C 13 174.315 0.3 . 1 . . . . . 59 LEU C . 51682 1 239 . 1 . 1 59 59 LEU CA C 13 52.535 0.3 . 1 . . . . . 59 LEU CA . 51682 1 240 . 1 . 1 59 59 LEU CB C 13 39.136 0.3 . 1 . . . . . 59 LEU CB . 51682 1 241 . 1 . 1 59 59 LEU N N 15 121.756 0.3 . 1 . . . . . 59 LEU N . 51682 1 242 . 1 . 1 60 60 HIS H H 1 8.144 0.02 . 1 . . . . . 60 HIS H . 51682 1 243 . 1 . 1 60 60 HIS C C 13 171.729 0.3 . 1 . . . . . 60 HIS C . 51682 1 244 . 1 . 1 60 60 HIS CA C 13 52.662 0.3 . 1 . . . . . 60 HIS CA . 51682 1 245 . 1 . 1 60 60 HIS CB C 13 26.462 0.3 . 1 . . . . . 60 HIS CB . 51682 1 246 . 1 . 1 60 60 HIS N N 15 118.83 0.3 . 1 . . . . . 60 HIS N . 51682 1 247 . 1 . 1 61 61 GLN H H 1 8.114 0.02 . 1 . . . . . 61 GLN H . 51682 1 248 . 1 . 1 61 61 GLN C C 13 172.901 0.3 . 1 . . . . . 61 GLN C . 51682 1 249 . 1 . 1 61 61 GLN CA C 13 52.816 0.3 . 1 . . . . . 61 GLN CA . 51682 1 250 . 1 . 1 61 61 GLN CB C 13 26.462 0.3 . 1 . . . . . 61 GLN CB . 51682 1 251 . 1 . 1 61 61 GLN N N 15 121.543 0.3 . 1 . . . . . 61 GLN N . 51682 1 252 . 1 . 1 62 62 ILE H H 1 8.107 0.02 . 1 . . . . . 62 ILE H . 51682 1 253 . 1 . 1 62 62 ILE C C 13 173.383 0.3 . 1 . . . . . 62 ILE C . 51682 1 254 . 1 . 1 62 62 ILE CA C 13 58.489 0.3 . 1 . . . . . 62 ILE CA . 51682 1 255 . 1 . 1 62 62 ILE CB C 13 35.612 0.3 . 1 . . . . . 62 ILE CB . 51682 1 256 . 1 . 1 62 62 ILE N N 15 122.584 0.3 . 1 . . . . . 62 ILE N . 51682 1 257 . 1 . 1 63 63 LYS H H 1 8.237 0.02 . 1 . . . . . 63 LYS H . 51682 1 258 . 1 . 1 63 63 LYS C C 13 173.538 0.3 . 1 . . . . . 63 LYS C . 51682 1 259 . 1 . 1 63 63 LYS CA C 13 53.507 0.3 . 1 . . . . . 63 LYS CA . 51682 1 260 . 1 . 1 63 63 LYS CB C 13 29.929 0.3 . 1 . . . . . 63 LYS CB . 51682 1 261 . 1 . 1 63 63 LYS N N 15 125.606 0.3 . 1 . . . . . 63 LYS N . 51682 1 262 . 1 . 1 64 64 GLN H H 1 8.332 0.02 . 1 . . . . . 64 GLN H . 51682 1 263 . 1 . 1 64 64 GLN C C 13 173.118 0.3 . 1 . . . . . 64 GLN C . 51682 1 264 . 1 . 1 64 64 GLN CA C 13 53.231 0.3 . 1 . . . . . 64 GLN CA . 51682 1 265 . 1 . 1 64 64 GLN CB C 13 26.405 0.3 . 1 . . . . . 64 GLN CB . 51682 1 266 . 1 . 1 64 64 GLN N N 15 122.764 0.3 . 1 . . . . . 64 GLN N . 51682 1 267 . 1 . 1 65 65 GLU H H 1 8.347 0.02 . 1 . . . . . 65 GLU H . 51682 1 268 . 1 . 1 65 65 GLU C C 13 173.667 0.3 . 1 . . . . . 65 GLU C . 51682 1 269 . 1 . 1 65 65 GLU CA C 13 53.601 0.3 . 1 . . . . . 65 GLU CA . 51682 1 270 . 1 . 1 65 65 GLU CB C 13 27.258 0.3 . 1 . . . . . 65 GLU CB . 51682 1 271 . 1 . 1 65 65 GLU N N 15 122.296 0.3 . 1 . . . . . 65 GLU N . 51682 1 272 . 1 . 1 66 66 GLU H H 1 8.329 0.02 . 1 . . . . . 66 GLU H . 51682 1 273 . 1 . 1 66 66 GLU C C 13 174.254 0.3 . 1 . . . . . 66 GLU C . 51682 1 274 . 1 . 1 66 66 GLU CA C 13 53.832 0.3 . 1 . . . . . 66 GLU CA . 51682 1 275 . 1 . 1 66 66 GLU CB C 13 27.258 0.3 . 1 . . . . . 66 GLU CB . 51682 1 276 . 1 . 1 66 66 GLU N N 15 122.023 0.3 . 1 . . . . . 66 GLU N . 51682 1 277 . 1 . 1 67 67 GLY H H 1 8.367 0.02 . 1 . . . . . 67 GLY H . 51682 1 278 . 1 . 1 67 67 GLY C C 13 171.74 0.3 . 1 . . . . . 67 GLY C . 51682 1 279 . 1 . 1 67 67 GLY CA C 13 42.603 0.3 . 1 . . . . . 67 GLY CA . 51682 1 280 . 1 . 1 67 67 GLY N N 15 109.802 0.3 . 1 . . . . . 67 GLY N . 51682 1 281 . 1 . 1 68 68 MET H H 1 7.965 0.02 . 1 . . . . . 68 MET H . 51682 1 282 . 1 . 1 68 68 MET C C 13 173.235 0.3 . 1 . . . . . 68 MET C . 51682 1 283 . 1 . 1 68 68 MET CA C 13 52.719 0.3 . 1 . . . . . 68 MET CA . 51682 1 284 . 1 . 1 68 68 MET CB C 13 29.758 0.3 . 1 . . . . . 68 MET CB . 51682 1 285 . 1 . 1 68 68 MET N N 15 119.433 0.3 . 1 . . . . . 68 MET N . 51682 1 286 . 1 . 1 69 69 ASP H H 1 8.271 0.02 . 1 . . . . . 69 ASP H . 51682 1 287 . 1 . 1 69 69 ASP C C 13 173.451 0.3 . 1 . . . . . 69 ASP C . 51682 1 288 . 1 . 1 69 69 ASP CA C 13 51.696 0.3 . 1 . . . . . 69 ASP CA . 51682 1 289 . 1 . 1 69 69 ASP CB C 13 37.772 0.3 . 1 . . . . . 69 ASP CB . 51682 1 290 . 1 . 1 69 69 ASP N N 15 120.665 0.3 . 1 . . . . . 69 ASP N . 51682 1 291 . 1 . 1 70 70 LEU H H 1 7.921 0.02 . 1 . . . . . 70 LEU H . 51682 1 292 . 1 . 1 70 70 LEU C C 13 174.797 0.3 . 1 . . . . . 70 LEU C . 51682 1 293 . 1 . 1 70 70 LEU CA C 13 52.448 0.3 . 1 . . . . . 70 LEU CA . 51682 1 294 . 1 . 1 70 70 LEU CB C 13 39.136 0.3 . 1 . . . . . 70 LEU CB . 51682 1 295 . 1 . 1 70 70 LEU N N 15 121.626 0.3 . 1 . . . . . 70 LEU N . 51682 1 296 . 1 . 1 71 71 ILE H H 1 7.775 0.02 . 1 . . . . . 71 ILE H . 51682 1 297 . 1 . 1 71 71 ILE C C 13 173.359 0.3 . 1 . . . . . 71 ILE C . 51682 1 298 . 1 . 1 71 71 ILE CA C 13 58.63 0.3 . 1 . . . . . 71 ILE CA . 51682 1 299 . 1 . 1 71 71 ILE CB C 13 35.442 0.3 . 1 . . . . . 71 ILE CB . 51682 1 300 . 1 . 1 71 71 ILE N N 15 120.513 0.3 . 1 . . . . . 71 ILE N . 51682 1 301 . 1 . 1 72 72 ASN H H 1 8.24 0.02 . 1 . . . . . 72 ASN H . 51682 1 302 . 1 . 1 72 72 ASN C C 13 172.481 0.3 . 1 . . . . . 72 ASN C . 51682 1 303 . 1 . 1 72 72 ASN CA C 13 50.438 0.3 . 1 . . . . . 72 ASN CA . 51682 1 304 . 1 . 1 72 72 ASN CB C 13 35.669 0.3 . 1 . . . . . 72 ASN CB . 51682 1 305 . 1 . 1 72 72 ASN N N 15 121.766 0.3 . 1 . . . . . 72 ASN N . 51682 1 306 . 1 . 1 73 73 ARG H H 1 8.127 0.02 . 1 . . . . . 73 ARG H . 51682 1 307 . 1 . 1 73 73 ARG CA C 13 53.68 0.3 . 1 . . . . . 73 ARG CA . 51682 1 308 . 1 . 1 73 73 ARG CB C 13 27.582 0.3 . 1 . . . . . 73 ARG CB . 51682 1 309 . 1 . 1 73 73 ARG N N 15 121.645 0.3 . 1 . . . . . 73 ARG N . 51682 1 310 . 1 . 1 74 74 GLU H H 1 8.24 0.02 . 1 . . . . . 74 GLU H . 51682 1 311 . 1 . 1 74 74 GLU C C 13 174.087 0.3 . 1 . . . . . 74 GLU C . 51682 1 312 . 1 . 1 74 74 GLU CA C 13 53.918 0.3 . 1 . . . . . 74 GLU CA . 51682 1 313 . 1 . 1 74 74 GLU CB C 13 27.144 0.3 . 1 . . . . . 74 GLU CB . 51682 1 314 . 1 . 1 74 74 GLU N N 15 121.002 0.3 . 1 . . . . . 74 GLU N . 51682 1 315 . 1 . 1 75 75 THR H H 1 7.997 0.02 . 1 . . . . . 75 THR H . 51682 1 316 . 1 . 1 75 75 THR C C 13 171.882 0.3 . 1 . . . . . 75 THR C . 51682 1 317 . 1 . 1 75 75 THR CA C 13 59.482 0.3 . 1 . . . . . 75 THR CA . 51682 1 318 . 1 . 1 75 75 THR CB C 13 66.757 0.3 . 1 . . . . . 75 THR CB . 51682 1 319 . 1 . 1 75 75 THR N N 15 115.572 0.3 . 1 . . . . . 75 THR N . 51682 1 320 . 1 . 1 76 76 VAL H H 1 7.956 0.02 . 1 . . . . . 76 VAL H . 51682 1 321 . 1 . 1 76 76 VAL C C 13 173.451 0.3 . 1 . . . . . 76 VAL C . 51682 1 322 . 1 . 1 76 76 VAL CA C 13 60.335 0.3 . 1 . . . . . 76 VAL CA . 51682 1 323 . 1 . 1 76 76 VAL CB C 13 29.474 0.3 . 1 . . . . . 76 VAL CB . 51682 1 324 . 1 . 1 76 76 VAL N N 15 122.713 0.3 . 1 . . . . . 76 VAL N . 51682 1 325 . 1 . 1 78 78 GLU H H 1 8.274 0.02 . 1 . . . . . 78 GLU H . 51682 1 326 . 1 . 1 78 78 GLU C C 13 173.995 0.3 . 1 . . . . . 78 GLU C . 51682 1 327 . 1 . 1 78 78 GLU CA C 13 54.242 0.3 . 1 . . . . . 78 GLU CA . 51682 1 328 . 1 . 1 78 78 GLU CB C 13 26.917 0.3 . 1 . . . . . 78 GLU CB . 51682 1 329 . 1 . 1 78 78 GLU N N 15 121.874 0.3 . 1 . . . . . 78 GLU N . 51682 1 330 . 1 . 1 79 79 ARG H H 1 8.17 0.02 . 1 . . . . . 79 ARG H . 51682 1 331 . 1 . 1 79 79 ARG C C 13 173.951 0.3 . 1 . . . . . 79 ARG C . 51682 1 332 . 1 . 1 79 79 ARG CA C 13 53.918 0.3 . 1 . . . . . 79 ARG CA . 51682 1 333 . 1 . 1 79 79 ARG CB C 13 27.485 0.3 . 1 . . . . . 79 ARG CB . 51682 1 334 . 1 . 1 79 79 ARG N N 15 121.154 0.3 . 1 . . . . . 79 ARG N . 51682 1 335 . 1 . 1 80 80 GLU H H 1 8.211 0.02 . 1 . . . . . 80 GLU H . 51682 1 336 . 1 . 1 80 80 GLU C C 13 174.217 0.3 . 1 . . . . . 80 GLU C . 51682 1 337 . 1 . 1 80 80 GLU CA C 13 54.069 0.3 . 1 . . . . . 80 GLU CA . 51682 1 338 . 1 . 1 80 80 GLU CB C 13 27.599 0.3 . 1 . . . . . 80 GLU CB . 51682 1 339 . 1 . 1 80 80 GLU N N 15 122.051 0.3 . 1 . . . . . 80 GLU N . 51682 1 340 . 1 . 1 81 81 VAL H H 1 8.022 0.02 . 1 . . . . . 81 VAL H . 51682 1 341 . 1 . 1 81 81 VAL C C 13 173.816 0.3 . 1 . . . . . 81 VAL C . 51682 1 342 . 1 . 1 81 81 VAL CA C 13 60.165 0.3 . 1 . . . . . 81 VAL CA . 51682 1 343 . 1 . 1 81 81 VAL CB C 13 29.588 0.3 . 1 . . . . . 81 VAL CB . 51682 1 344 . 1 . 1 81 81 VAL N N 15 121.603 0.3 . 1 . . . . . 81 VAL N . 51682 1 345 . 1 . 1 82 82 GLN H H 1 8.24 0.02 . 1 . . . . . 82 GLN H . 51682 1 346 . 1 . 1 82 82 GLN C C 13 173.853 0.3 . 1 . . . . . 82 GLN C . 51682 1 347 . 1 . 1 82 82 GLN CA C 13 53.436 0.3 . 1 . . . . . 82 GLN CA . 51682 1 348 . 1 . 1 82 82 GLN CB C 13 26.292 0.3 . 1 . . . . . 82 GLN CB . 51682 1 349 . 1 . 1 82 82 GLN N N 15 123.361 0.3 . 1 . . . . . 82 GLN N . 51682 1 350 . 1 . 1 83 83 THR H H 1 8.082 0.02 . 1 . . . . . 83 THR H . 51682 1 351 . 1 . 1 83 83 THR C C 13 171.845 0.3 . 1 . . . . . 83 THR C . 51682 1 352 . 1 . 1 83 83 THR CA C 13 59.618 0.3 . 1 . . . . . 83 THR CA . 51682 1 353 . 1 . 1 83 83 THR CB C 13 66.643 0.3 . 1 . . . . . 83 THR CB . 51682 1 354 . 1 . 1 83 83 THR N N 15 115.832 0.3 . 1 . . . . . 83 THR N . 51682 1 355 . 1 . 1 84 84 ALA H H 1 8.105 0.02 . 1 . . . . . 84 ALA H . 51682 1 356 . 1 . 1 84 84 ALA C C 13 175.372 0.3 . 1 . . . . . 84 ALA C . 51682 1 357 . 1 . 1 84 84 ALA CA C 13 50.157 0.3 . 1 . . . . . 84 ALA CA . 51682 1 358 . 1 . 1 84 84 ALA CB C 13 15.891 0.3 . 1 . . . . . 84 ALA CB . 51682 1 359 . 1 . 1 84 84 ALA N N 15 125.337 0.3 . 1 . . . . . 84 ALA N . 51682 1 360 . 1 . 1 85 85 MET H H 1 8.032 0.02 . 1 . . . . . 85 MET H . 51682 1 361 . 1 . 1 85 85 MET C C 13 173.648 0.3 . 1 . . . . . 85 MET C . 51682 1 362 . 1 . 1 85 85 MET CA C 13 53.003 0.3 . 1 . . . . . 85 MET CA . 51682 1 363 . 1 . 1 85 85 MET CB C 13 29.758 0.3 . 1 . . . . . 85 MET CB . 51682 1 364 . 1 . 1 85 85 MET N N 15 118.706 0.3 . 1 . . . . . 85 MET N . 51682 1 365 . 1 . 1 86 86 GLN H H 1 8.038 0.02 . 1 . . . . . 86 GLN H . 51682 1 366 . 1 . 1 86 86 GLN C C 13 173.309 0.3 . 1 . . . . . 86 GLN C . 51682 1 367 . 1 . 1 86 86 GLN CA C 13 53.14 0.3 . 1 . . . . . 86 GLN CA . 51682 1 368 . 1 . 1 86 86 GLN CB C 13 26.178 0.3 . 1 . . . . . 86 GLN CB . 51682 1 369 . 1 . 1 86 86 GLN N N 15 121.24 0.3 . 1 . . . . . 86 GLN N . 51682 1 370 . 1 . 1 87 87 ILE H H 1 7.975 0.02 . 1 . . . . . 87 ILE H . 51682 1 371 . 1 . 1 87 87 ILE C C 13 173.482 0.3 . 1 . . . . . 87 ILE C . 51682 1 372 . 1 . 1 87 87 ILE CA C 13 58.457 0.3 . 1 . . . . . 87 ILE CA . 51682 1 373 . 1 . 1 87 87 ILE CB C 13 35.669 0.3 . 1 . . . . . 87 ILE CB . 51682 1 374 . 1 . 1 87 87 ILE N N 15 121.864 0.3 . 1 . . . . . 87 ILE N . 51682 1 375 . 1 . 1 88 88 SER H H 1 8.098 0.02 . 1 . . . . . 88 SER H . 51682 1 376 . 1 . 1 88 88 SER C C 13 171.332 0.3 . 1 . . . . . 88 SER C . 51682 1 377 . 1 . 1 88 88 SER CA C 13 55.409 0.3 . 1 . . . . . 88 SER CA . 51682 1 378 . 1 . 1 88 88 SER CB C 13 60.676 0.3 . 1 . . . . . 88 SER CB . 51682 1 379 . 1 . 1 88 88 SER N N 15 119.062 0.3 . 1 . . . . . 88 SER N . 51682 1 380 . 1 . 1 89 89 HIS H H 1 8.216 0.02 . 1 . . . . . 89 HIS H . 51682 1 381 . 1 . 1 89 89 HIS C C 13 171.827 0.3 . 1 . . . . . 89 HIS C . 51682 1 382 . 1 . 1 89 89 HIS CA C 13 52.251 0.3 . 1 . . . . . 89 HIS CA . 51682 1 383 . 1 . 1 89 89 HIS CB C 13 26.292 0.3 . 1 . . . . . 89 HIS CB . 51682 1 384 . 1 . 1 89 89 HIS N N 15 120.507 0.3 . 1 . . . . . 89 HIS N . 51682 1 385 . 1 . 1 90 90 SER H H 1 8.169 0.02 . 1 . . . . . 90 SER H . 51682 1 386 . 1 . 1 90 90 SER C C 13 171.499 0.3 . 1 . . . . . 90 SER C . 51682 1 387 . 1 . 1 90 90 SER CA C 13 55.755 0.3 . 1 . . . . . 90 SER CA . 51682 1 388 . 1 . 1 90 90 SER CB C 13 60.532 0.3 . 1 . . . . . 90 SER CB . 51682 1 389 . 1 . 1 90 90 SER N N 15 117.154 0.3 . 1 . . . . . 90 SER N . 51682 1 390 . 1 . 1 91 91 TRP H H 1 7.829 0.02 . 1 . . . . . 91 TRP H . 51682 1 391 . 1 . 1 91 91 TRP C C 13 173.136 0.3 . 1 . . . . . 91 TRP C . 51682 1 392 . 1 . 1 91 91 TRP CA C 13 54.502 0.3 . 1 . . . . . 91 TRP CA . 51682 1 393 . 1 . 1 91 91 TRP CB C 13 26.178 0.3 . 1 . . . . . 91 TRP CB . 51682 1 394 . 1 . 1 91 91 TRP N N 15 122.077 0.3 . 1 . . . . . 91 TRP N . 51682 1 395 . 1 . 1 92 92 GLU H H 1 7.824 0.02 . 1 . . . . . 92 GLU H . 51682 1 396 . 1 . 1 92 92 GLU C C 13 173.044 0.3 . 1 . . . . . 92 GLU C . 51682 1 397 . 1 . 1 92 92 GLU CA C 13 53.421 0.3 . 1 . . . . . 92 GLU CA . 51682 1 398 . 1 . 1 92 92 GLU CB C 13 27.542 0.3 . 1 . . . . . 92 GLU CB . 51682 1 399 . 1 . 1 92 92 GLU N N 15 121.766 0.3 . 1 . . . . . 92 GLU N . 51682 1 400 . 1 . 1 93 93 GLU H H 1 7.99 0.02 . 1 . . . . . 93 GLU H . 51682 1 401 . 1 . 1 93 93 GLU C C 13 172.691 0.3 . 1 . . . . . 93 GLU C . 51682 1 402 . 1 . 1 93 93 GLU CA C 13 53.378 0.3 . 1 . . . . . 93 GLU CA . 51682 1 403 . 1 . 1 93 93 GLU CB C 13 27.485 0.3 . 1 . . . . . 93 GLU CB . 51682 1 404 . 1 . 1 93 93 GLU N N 15 121.813 0.3 . 1 . . . . . 93 GLU N . 51682 1 405 . 1 . 1 94 94 SER H H 1 7.806 0.02 . 1 . . . . . 94 SER H . 51682 1 406 . 1 . 1 94 94 SER C C 13 175.767 0.3 . 1 . . . . . 94 SER C . 51682 1 407 . 1 . 1 94 94 SER CA C 13 57.225 0.3 . 1 . . . . . 94 SER CA . 51682 1 408 . 1 . 1 94 94 SER CB C 13 61.756 0.3 . 1 . . . . . 94 SER CB . 51682 1 409 . 1 . 1 94 94 SER N N 15 122.531 0.3 . 1 . . . . . 94 SER N . 51682 1 stop_ save_