data_51240 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51240 _Entry.Title ; Backbone resonance assignments of the designed Armadillo repeat protein N(A4)MC(AII) at pH 5.5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-12-20 _Entry.Accession_date 2021-12-20 _Entry.Last_release_date 2021-12-20 _Entry.Original_release_date 2021-12-20 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Backbone resonance assignments of the designed Armadillo repeat protein N(A4)MC(AII) at pH 5.5' _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 Erich Michel . . . . 51240 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51240 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 337 51240 '15N chemical shifts' 111 51240 '1H chemical shifts' 111 51240 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2023-01-30 2021-12-20 update BMRB 'update entry citation' 51240 1 . . 2022-05-31 2021-12-20 original author 'original release' 51240 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51239 'Backbone resonance assignments of the designed Armadillo repeat protein N(YIII)MC(AII) at pH 7.0' 51240 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51240 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35657362 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Improved Repeat Protein Stability by Combined Consensus and Computational Protein Design ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 62 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-4995 _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 318 _Citation.Page_last 329 _Citation.Year 2023 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Erich Michel . . . . 51240 1 2 Stefano Cucuzza . . . . 51240 1 3 Peer Mittl . . . . 51240 1 4 Oliver Zerbe . . . . 51240 1 5 Andreas Pluckthun . . . . 51240 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'armadillo repeat protein' 51240 1 'computational protein design' 51240 1 'consensus design' 51240 1 'hydrogen exchange' 51240 1 'protein stability' 51240 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51240 _Assembly.ID 1 _Assembly.Name 'N(A4)MC(AII) monomer' _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 N(A4)MC(AII) 1 $entity_1 . . yes native no no . . . 51240 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51240 _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 ; GPDLPKLVKLLKSSNEEILL KALRALAEIASGGNEQIQAV IDAGALPALVQLLSSPNEQI LQEALWALSNIASGGNEQKQ AVKEAGALEKLEQLQSHENE KIQKEAQEALEKLQSH ; _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 116 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 51240 1 2 . PRO . 51240 1 3 . ASP . 51240 1 4 . LEU . 51240 1 5 . PRO . 51240 1 6 . LYS . 51240 1 7 . LEU . 51240 1 8 . VAL . 51240 1 9 . LYS . 51240 1 10 . LEU . 51240 1 11 . LEU . 51240 1 12 . LYS . 51240 1 13 . SER . 51240 1 14 . SER . 51240 1 15 . ASN . 51240 1 16 . GLU . 51240 1 17 . GLU . 51240 1 18 . ILE . 51240 1 19 . LEU . 51240 1 20 . LEU . 51240 1 21 . LYS . 51240 1 22 . ALA . 51240 1 23 . LEU . 51240 1 24 . ARG . 51240 1 25 . ALA . 51240 1 26 . LEU . 51240 1 27 . ALA . 51240 1 28 . GLU . 51240 1 29 . ILE . 51240 1 30 . ALA . 51240 1 31 . SER . 51240 1 32 . GLY . 51240 1 33 . GLY . 51240 1 34 . ASN . 51240 1 35 . GLU . 51240 1 36 . GLN . 51240 1 37 . ILE . 51240 1 38 . GLN . 51240 1 39 . ALA . 51240 1 40 . VAL . 51240 1 41 . ILE . 51240 1 42 . ASP . 51240 1 43 . ALA . 51240 1 44 . GLY . 51240 1 45 . ALA . 51240 1 46 . LEU . 51240 1 47 . PRO . 51240 1 48 . ALA . 51240 1 49 . LEU . 51240 1 50 . VAL . 51240 1 51 . GLN . 51240 1 52 . LEU . 51240 1 53 . LEU . 51240 1 54 . SER . 51240 1 55 . SER . 51240 1 56 . PRO . 51240 1 57 . ASN . 51240 1 58 . GLU . 51240 1 59 . GLN . 51240 1 60 . ILE . 51240 1 61 . LEU . 51240 1 62 . GLN . 51240 1 63 . GLU . 51240 1 64 . ALA . 51240 1 65 . LEU . 51240 1 66 . TRP . 51240 1 67 . ALA . 51240 1 68 . LEU . 51240 1 69 . SER . 51240 1 70 . ASN . 51240 1 71 . ILE . 51240 1 72 . ALA . 51240 1 73 . SER . 51240 1 74 . GLY . 51240 1 75 . GLY . 51240 1 76 . ASN . 51240 1 77 . GLU . 51240 1 78 . GLN . 51240 1 79 . LYS . 51240 1 80 . GLN . 51240 1 81 . ALA . 51240 1 82 . VAL . 51240 1 83 . LYS . 51240 1 84 . GLU . 51240 1 85 . ALA . 51240 1 86 . GLY . 51240 1 87 . ALA . 51240 1 88 . LEU . 51240 1 89 . GLU . 51240 1 90 . LYS . 51240 1 91 . LEU . 51240 1 92 . GLU . 51240 1 93 . GLN . 51240 1 94 . LEU . 51240 1 95 . GLN . 51240 1 96 . SER . 51240 1 97 . HIS . 51240 1 98 . GLU . 51240 1 99 . ASN . 51240 1 100 . GLU . 51240 1 101 . LYS . 51240 1 102 . ILE . 51240 1 103 . GLN . 51240 1 104 . LYS . 51240 1 105 . GLU . 51240 1 106 . ALA . 51240 1 107 . GLN . 51240 1 108 . GLU . 51240 1 109 . ALA . 51240 1 110 . LEU . 51240 1 111 . GLU . 51240 1 112 . LYS . 51240 1 113 . LEU . 51240 1 114 . GLN . 51240 1 115 . SER . 51240 1 116 . HIS . 51240 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 51240 1 . PRO 2 2 51240 1 . ASP 3 3 51240 1 . LEU 4 4 51240 1 . PRO 5 5 51240 1 . LYS 6 6 51240 1 . LEU 7 7 51240 1 . VAL 8 8 51240 1 . LYS 9 9 51240 1 . LEU 10 10 51240 1 . LEU 11 11 51240 1 . LYS 12 12 51240 1 . SER 13 13 51240 1 . SER 14 14 51240 1 . ASN 15 15 51240 1 . GLU 16 16 51240 1 . GLU 17 17 51240 1 . ILE 18 18 51240 1 . LEU 19 19 51240 1 . LEU 20 20 51240 1 . LYS 21 21 51240 1 . ALA 22 22 51240 1 . LEU 23 23 51240 1 . ARG 24 24 51240 1 . ALA 25 25 51240 1 . LEU 26 26 51240 1 . ALA 27 27 51240 1 . GLU 28 28 51240 1 . ILE 29 29 51240 1 . ALA 30 30 51240 1 . SER 31 31 51240 1 . GLY 32 32 51240 1 . GLY 33 33 51240 1 . ASN 34 34 51240 1 . GLU 35 35 51240 1 . GLN 36 36 51240 1 . ILE 37 37 51240 1 . GLN 38 38 51240 1 . ALA 39 39 51240 1 . VAL 40 40 51240 1 . ILE 41 41 51240 1 . ASP 42 42 51240 1 . ALA 43 43 51240 1 . GLY 44 44 51240 1 . ALA 45 45 51240 1 . LEU 46 46 51240 1 . PRO 47 47 51240 1 . ALA 48 48 51240 1 . LEU 49 49 51240 1 . VAL 50 50 51240 1 . GLN 51 51 51240 1 . LEU 52 52 51240 1 . LEU 53 53 51240 1 . SER 54 54 51240 1 . SER 55 55 51240 1 . PRO 56 56 51240 1 . ASN 57 57 51240 1 . GLU 58 58 51240 1 . GLN 59 59 51240 1 . ILE 60 60 51240 1 . LEU 61 61 51240 1 . GLN 62 62 51240 1 . GLU 63 63 51240 1 . ALA 64 64 51240 1 . LEU 65 65 51240 1 . TRP 66 66 51240 1 . ALA 67 67 51240 1 . LEU 68 68 51240 1 . SER 69 69 51240 1 . ASN 70 70 51240 1 . ILE 71 71 51240 1 . ALA 72 72 51240 1 . SER 73 73 51240 1 . GLY 74 74 51240 1 . GLY 75 75 51240 1 . ASN 76 76 51240 1 . GLU 77 77 51240 1 . GLN 78 78 51240 1 . LYS 79 79 51240 1 . GLN 80 80 51240 1 . ALA 81 81 51240 1 . VAL 82 82 51240 1 . LYS 83 83 51240 1 . GLU 84 84 51240 1 . ALA 85 85 51240 1 . GLY 86 86 51240 1 . ALA 87 87 51240 1 . LEU 88 88 51240 1 . GLU 89 89 51240 1 . LYS 90 90 51240 1 . LEU 91 91 51240 1 . GLU 92 92 51240 1 . GLN 93 93 51240 1 . LEU 94 94 51240 1 . GLN 95 95 51240 1 . SER 96 96 51240 1 . HIS 97 97 51240 1 . GLU 98 98 51240 1 . ASN 99 99 51240 1 . GLU 100 100 51240 1 . LYS 101 101 51240 1 . ILE 102 102 51240 1 . GLN 103 103 51240 1 . LYS 104 104 51240 1 . GLU 105 105 51240 1 . ALA 106 106 51240 1 . GLN 107 107 51240 1 . GLU 108 108 51240 1 . ALA 109 109 51240 1 . LEU 110 110 51240 1 . GLU 111 111 51240 1 . LYS 112 112 51240 1 . LEU 113 113 51240 1 . GLN 114 114 51240 1 . SER 115 115 51240 1 . HIS 116 116 51240 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 51240 _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 . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . 51240 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 51240 _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 . . pEM3BTC . . . 51240 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51240 _Sample.ID 1 _Sample.Name N(A4)MC(AII) _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 N(A4)MC(AII) '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 0.8 . . mM . . . . 51240 1 2 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 51240 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51240 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 51240 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 51240 _Sample_condition_list.ID 1 _Sample_condition_list.Name N(A4)MC(AII) _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' 0.092 . M 51240 1 pH 5.5 . pH 51240 1 pressure 1 . atm 51240 1 temperature 310.15 . K 51240 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51240 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51240 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 51240 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 51240 _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 . . . . . . . . . . . . . . . . . 51240 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51240 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51240 1 4 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51240 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51240 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 51240 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name N(A4)MC(AII) _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.62 internal indirect . . . . . . 51240 1 H 1 water protons . . . . ppm 4.62 internal direct 1 . . . . . 51240 1 N 15 water protons . . . . ppm 4.62 internal indirect . . . . . . 51240 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 51240 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name N(A4)MC(AII) _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' . . . 51240 1 2 '3D HNCO' . . . 51240 1 3 '3D HNCA' . . . 51240 1 4 '3D HN(CA)CO' . . . 51240 1 5 '3D HNCACB' . . . 51240 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 . . 51240 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 PRO C C 13 178.239 0.3 . 1 . . . . . 2 PRO C . 51240 1 2 . 1 . 1 2 2 PRO CA C 13 62.782 0.3 . 1 . . . . . 2 PRO CA . 51240 1 3 . 1 . 1 2 2 PRO CB C 13 32.411 0.3 . 1 . . . . . 2 PRO CB . 51240 1 4 . 1 . 1 3 3 ASP H H 1 8.371 0.020 . 1 . . . . . 3 ASP H . 51240 1 5 . 1 . 1 3 3 ASP C C 13 178.785 0.3 . 1 . . . . . 3 ASP C . 51240 1 6 . 1 . 1 3 3 ASP CA C 13 53.050 0.3 . 1 . . . . . 3 ASP CA . 51240 1 7 . 1 . 1 3 3 ASP CB C 13 40.571 0.3 . 1 . . . . . 3 ASP CB . 51240 1 8 . 1 . 1 3 3 ASP N N 15 121.737 0.3 . 1 . . . . . 3 ASP N . 51240 1 9 . 1 . 1 4 4 LEU H H 1 8.476 0.020 . 1 . . . . . 4 LEU H . 51240 1 10 . 1 . 1 4 4 LEU C C 13 178.173 0.3 . 1 . . . . . 4 LEU C . 51240 1 11 . 1 . 1 4 4 LEU CA C 13 59.468 0.3 . 1 . . . . . 4 LEU CA . 51240 1 12 . 1 . 1 4 4 LEU CB C 13 39.667 0.3 . 1 . . . . . 4 LEU CB . 51240 1 13 . 1 . 1 4 4 LEU N N 15 124.159 0.3 . 1 . . . . . 4 LEU N . 51240 1 14 . 1 . 1 5 5 PRO CA C 13 66.482 0.3 . 1 . . . . . 5 PRO CA . 51240 1 15 . 1 . 1 5 5 PRO CB C 13 31.059 0.3 . 1 . . . . . 5 PRO CB . 51240 1 16 . 1 . 1 6 6 LYS H H 1 7.351 0.020 . 1 . . . . . 6 LYS H . 51240 1 17 . 1 . 1 6 6 LYS C C 13 181.087 0.3 . 1 . . . . . 6 LYS C . 51240 1 18 . 1 . 1 6 6 LYS CA C 13 59.468 0.3 . 1 . . . . . 6 LYS CA . 51240 1 19 . 1 . 1 6 6 LYS CB C 13 32.235 0.3 . 1 . . . . . 6 LYS CB . 51240 1 20 . 1 . 1 6 6 LYS N N 15 117.011 0.3 . 1 . . . . . 6 LYS N . 51240 1 21 . 1 . 1 7 7 LEU H H 1 7.815 0.020 . 1 . . . . . 7 LEU H . 51240 1 22 . 1 . 1 7 7 LEU C C 13 181.110 0.3 . 1 . . . . . 7 LEU C . 51240 1 23 . 1 . 1 7 7 LEU CA C 13 58.276 0.3 . 1 . . . . . 7 LEU CA . 51240 1 24 . 1 . 1 7 7 LEU CB C 13 42.515 0.3 . 1 . . . . . 7 LEU CB . 51240 1 25 . 1 . 1 7 7 LEU N N 15 119.691 0.3 . 1 . . . . . 7 LEU N . 51240 1 26 . 1 . 1 8 8 VAL H H 1 8.127 0.020 . 1 . . . . . 8 VAL H . 51240 1 27 . 1 . 1 8 8 VAL C C 13 181.773 0.3 . 1 . . . . . 8 VAL C . 51240 1 28 . 1 . 1 8 8 VAL CA C 13 66.986 0.3 . 1 . . . . . 8 VAL CA . 51240 1 29 . 1 . 1 8 8 VAL CB C 13 31.293 0.3 . 1 . . . . . 8 VAL CB . 51240 1 30 . 1 . 1 8 8 VAL N N 15 115.539 0.3 . 1 . . . . . 8 VAL N . 51240 1 31 . 1 . 1 9 9 LYS H H 1 7.553 0.020 . 1 . . . . . 9 LYS H . 51240 1 32 . 1 . 1 9 9 LYS C C 13 182.896 0.3 . 1 . . . . . 9 LYS C . 51240 1 33 . 1 . 1 9 9 LYS CA C 13 59.605 0.3 . 1 . . . . . 9 LYS CA . 51240 1 34 . 1 . 1 9 9 LYS CB C 13 32.244 0.3 . 1 . . . . . 9 LYS CB . 51240 1 35 . 1 . 1 9 9 LYS N N 15 120.188 0.3 . 1 . . . . . 9 LYS N . 51240 1 36 . 1 . 1 10 10 LEU H H 1 7.820 0.020 . 1 . . . . . 10 LEU H . 51240 1 37 . 1 . 1 10 10 LEU C C 13 180.948 0.3 . 1 . . . . . 10 LEU C . 51240 1 38 . 1 . 1 10 10 LEU CA C 13 57.130 0.3 . 1 . . . . . 10 LEU CA . 51240 1 39 . 1 . 1 10 10 LEU CB C 13 41.121 0.3 . 1 . . . . . 10 LEU CB . 51240 1 40 . 1 . 1 10 10 LEU N N 15 120.089 0.3 . 1 . . . . . 10 LEU N . 51240 1 41 . 1 . 1 11 11 LEU H H 1 7.458 0.020 . 1 . . . . . 11 LEU H . 51240 1 42 . 1 . 1 11 11 LEU C C 13 179.295 0.3 . 1 . . . . . 11 LEU C . 51240 1 43 . 1 . 1 11 11 LEU CA C 13 56.253 0.3 . 1 . . . . . 11 LEU CA . 51240 1 44 . 1 . 1 11 11 LEU CB C 13 40.891 0.3 . 1 . . . . . 11 LEU CB . 51240 1 45 . 1 . 1 11 11 LEU N N 15 115.985 0.3 . 1 . . . . . 11 LEU N . 51240 1 46 . 1 . 1 12 12 LYS H H 1 7.172 0.020 . 1 . . . . . 12 LYS H . 51240 1 47 . 1 . 1 12 12 LYS C C 13 179.548 0.3 . 1 . . . . . 12 LYS C . 51240 1 48 . 1 . 1 12 12 LYS CA C 13 55.113 0.3 . 1 . . . . . 12 LYS CA . 51240 1 49 . 1 . 1 12 12 LYS CB C 13 32.040 0.3 . 1 . . . . . 12 LYS CB . 51240 1 50 . 1 . 1 12 12 LYS N N 15 115.022 0.3 . 1 . . . . . 12 LYS N . 51240 1 51 . 1 . 1 13 13 SER H H 1 7.485 0.020 . 1 . . . . . 13 SER H . 51240 1 52 . 1 . 1 13 13 SER C C 13 177.303 0.3 . 1 . . . . . 13 SER C . 51240 1 53 . 1 . 1 13 13 SER CA C 13 59.468 0.3 . 1 . . . . . 13 SER CA . 51240 1 54 . 1 . 1 13 13 SER CB C 13 64.528 0.3 . 1 . . . . . 13 SER CB . 51240 1 55 . 1 . 1 13 13 SER N N 15 115.070 0.3 . 1 . . . . . 13 SER N . 51240 1 56 . 1 . 1 14 14 SER H H 1 8.314 0.020 . 1 . . . . . 14 SER H . 51240 1 57 . 1 . 1 14 14 SER C C 13 176.776 0.3 . 1 . . . . . 14 SER C . 51240 1 58 . 1 . 1 14 14 SER CA C 13 58.551 0.3 . 1 . . . . . 14 SER CA . 51240 1 59 . 1 . 1 14 14 SER CB C 13 63.766 0.3 . 1 . . . . . 14 SER CB . 51240 1 60 . 1 . 1 14 14 SER N N 15 118.198 0.3 . 1 . . . . . 14 SER N . 51240 1 61 . 1 . 1 15 15 ASN H H 1 8.369 0.020 . 1 . . . . . 15 ASN H . 51240 1 62 . 1 . 1 15 15 ASN C C 13 177.696 0.3 . 1 . . . . . 15 ASN C . 51240 1 63 . 1 . 1 15 15 ASN CA C 13 53.004 0.3 . 1 . . . . . 15 ASN CA . 51240 1 64 . 1 . 1 15 15 ASN CB C 13 39.313 0.3 . 1 . . . . . 15 ASN CB . 51240 1 65 . 1 . 1 15 15 ASN N N 15 122.765 0.3 . 1 . . . . . 15 ASN N . 51240 1 66 . 1 . 1 16 16 GLU H H 1 9.029 0.020 . 1 . . . . . 16 GLU H . 51240 1 67 . 1 . 1 16 16 GLU C C 13 179.672 0.3 . 1 . . . . . 16 GLU C . 51240 1 68 . 1 . 1 16 16 GLU CA C 13 60.431 0.3 . 1 . . . . . 16 GLU CA . 51240 1 69 . 1 . 1 16 16 GLU CB C 13 29.707 0.3 . 1 . . . . . 16 GLU CB . 51240 1 70 . 1 . 1 16 16 GLU N N 15 127.023 0.3 . 1 . . . . . 16 GLU N . 51240 1 71 . 1 . 1 17 17 GLU H H 1 8.029 0.020 . 1 . . . . . 17 GLU H . 51240 1 72 . 1 . 1 17 17 GLU C C 13 182.073 0.3 . 1 . . . . . 17 GLU C . 51240 1 73 . 1 . 1 17 17 GLU CA C 13 59.835 0.3 . 1 . . . . . 17 GLU CA . 51240 1 74 . 1 . 1 17 17 GLU CB C 13 29.384 0.3 . 1 . . . . . 17 GLU CB . 51240 1 75 . 1 . 1 17 17 GLU N N 15 118.016 0.3 . 1 . . . . . 17 GLU N . 51240 1 76 . 1 . 1 18 18 ILE H H 1 7.452 0.020 . 1 . . . . . 18 ILE H . 51240 1 77 . 1 . 1 18 18 ILE C C 13 180.945 0.3 . 1 . . . . . 18 ILE C . 51240 1 78 . 1 . 1 18 18 ILE CA C 13 64.098 0.3 . 1 . . . . . 18 ILE CA . 51240 1 79 . 1 . 1 18 18 ILE CB C 13 37.362 0.3 . 1 . . . . . 18 ILE CB . 51240 1 80 . 1 . 1 18 18 ILE N N 15 120.620 0.3 . 1 . . . . . 18 ILE N . 51240 1 81 . 1 . 1 19 19 LEU H H 1 8.108 0.020 . 1 . . . . . 19 LEU H . 51240 1 82 . 1 . 1 19 19 LEU C C 13 181.671 0.3 . 1 . . . . . 19 LEU C . 51240 1 83 . 1 . 1 19 19 LEU CA C 13 58.689 0.3 . 1 . . . . . 19 LEU CA . 51240 1 84 . 1 . 1 19 19 LEU CB C 13 43.213 0.3 . 1 . . . . . 19 LEU CB . 51240 1 85 . 1 . 1 19 19 LEU N N 15 121.615 0.3 . 1 . . . . . 19 LEU N . 51240 1 86 . 1 . 1 20 20 LEU H H 1 8.353 0.020 . 1 . . . . . 20 LEU H . 51240 1 87 . 1 . 1 20 20 LEU C C 13 182.211 0.3 . 1 . . . . . 20 LEU C . 51240 1 88 . 1 . 1 20 20 LEU CA C 13 58.511 0.3 . 1 . . . . . 20 LEU CA . 51240 1 89 . 1 . 1 20 20 LEU CB C 13 41.630 0.3 . 1 . . . . . 20 LEU CB . 51240 1 90 . 1 . 1 20 20 LEU N N 15 117.626 0.3 . 1 . . . . . 20 LEU N . 51240 1 91 . 1 . 1 21 21 LYS H H 1 7.503 0.020 . 1 . . . . . 21 LYS H . 51240 1 92 . 1 . 1 21 21 LYS C C 13 182.244 0.3 . 1 . . . . . 21 LYS C . 51240 1 93 . 1 . 1 21 21 LYS CA C 13 59.900 0.3 . 1 . . . . . 21 LYS CA . 51240 1 94 . 1 . 1 21 21 LYS CB C 13 32.490 0.3 . 1 . . . . . 21 LYS CB . 51240 1 95 . 1 . 1 21 21 LYS N N 15 118.279 0.3 . 1 . . . . . 21 LYS N . 51240 1 96 . 1 . 1 22 22 ALA H H 1 8.266 0.020 . 1 . . . . . 22 ALA H . 51240 1 97 . 1 . 1 22 22 ALA C C 13 181.844 0.3 . 1 . . . . . 22 ALA C . 51240 1 98 . 1 . 1 22 22 ALA CA C 13 55.204 0.3 . 1 . . . . . 22 ALA CA . 51240 1 99 . 1 . 1 22 22 ALA CB C 13 18.640 0.3 . 1 . . . . . 22 ALA CB . 51240 1 100 . 1 . 1 22 22 ALA N N 15 124.015 0.3 . 1 . . . . . 22 ALA N . 51240 1 101 . 1 . 1 23 23 LEU H H 1 8.659 0.020 . 1 . . . . . 23 LEU H . 51240 1 102 . 1 . 1 23 23 LEU C C 13 181.255 0.3 . 1 . . . . . 23 LEU C . 51240 1 103 . 1 . 1 23 23 LEU CA C 13 58.093 0.3 . 1 . . . . . 23 LEU CA . 51240 1 104 . 1 . 1 23 23 LEU CB C 13 43.138 0.3 . 1 . . . . . 23 LEU CB . 51240 1 105 . 1 . 1 23 23 LEU N N 15 118.494 0.3 . 1 . . . . . 23 LEU N . 51240 1 106 . 1 . 1 24 24 ARG H H 1 7.956 0.020 . 1 . . . . . 24 ARG H . 51240 1 107 . 1 . 1 24 24 ARG C C 13 181.440 0.3 . 1 . . . . . 24 ARG C . 51240 1 108 . 1 . 1 24 24 ARG CA C 13 59.376 0.3 . 1 . . . . . 24 ARG CA . 51240 1 109 . 1 . 1 24 24 ARG CB C 13 29.794 0.3 . 1 . . . . . 24 ARG CB . 51240 1 110 . 1 . 1 24 24 ARG N N 15 118.221 0.3 . 1 . . . . . 24 ARG N . 51240 1 111 . 1 . 1 25 25 ALA H H 1 7.685 0.020 . 1 . . . . . 25 ALA H . 51240 1 112 . 1 . 1 25 25 ALA C C 13 183.283 0.3 . 1 . . . . . 25 ALA C . 51240 1 113 . 1 . 1 25 25 ALA CA C 13 55.021 0.3 . 1 . . . . . 25 ALA CA . 51240 1 114 . 1 . 1 25 25 ALA CB C 13 18.291 0.3 . 1 . . . . . 25 ALA CB . 51240 1 115 . 1 . 1 25 25 ALA N N 15 121.253 0.3 . 1 . . . . . 25 ALA N . 51240 1 116 . 1 . 1 26 26 LEU H H 1 8.353 0.020 . 1 . . . . . 26 LEU H . 51240 1 117 . 1 . 1 26 26 LEU C C 13 181.022 0.3 . 1 . . . . . 26 LEU C . 51240 1 118 . 1 . 1 26 26 LEU CA C 13 58.091 0.3 . 1 . . . . . 26 LEU CA . 51240 1 119 . 1 . 1 26 26 LEU CB C 13 42.313 0.3 . 1 . . . . . 26 LEU CB . 51240 1 120 . 1 . 1 26 26 LEU N N 15 118.864 0.3 . 1 . . . . . 26 LEU N . 51240 1 121 . 1 . 1 27 27 ALA H H 1 8.428 0.020 . 1 . . . . . 27 ALA H . 51240 1 122 . 1 . 1 27 27 ALA C C 13 182.289 0.3 . 1 . . . . . 27 ALA C . 51240 1 123 . 1 . 1 27 27 ALA CA C 13 56.030 0.3 . 1 . . . . . 27 ALA CA . 51240 1 124 . 1 . 1 27 27 ALA CB C 13 17.495 0.3 . 1 . . . . . 27 ALA CB . 51240 1 125 . 1 . 1 27 27 ALA N N 15 121.184 0.3 . 1 . . . . . 27 ALA N . 51240 1 126 . 1 . 1 28 28 GLU H H 1 7.835 0.020 . 1 . . . . . 28 GLU H . 51240 1 127 . 1 . 1 28 28 GLU C C 13 183.598 0.3 . 1 . . . . . 28 GLU C . 51240 1 128 . 1 . 1 28 28 GLU CA C 13 59.324 0.3 . 1 . . . . . 28 GLU CA . 51240 1 129 . 1 . 1 28 28 GLU CB C 13 29.294 0.3 . 1 . . . . . 28 GLU CB . 51240 1 130 . 1 . 1 28 28 GLU N N 15 116.923 0.3 . 1 . . . . . 28 GLU N . 51240 1 131 . 1 . 1 29 29 ILE H H 1 8.143 0.020 . 1 . . . . . 29 ILE H . 51240 1 132 . 1 . 1 29 29 ILE C C 13 181.139 0.3 . 1 . . . . . 29 ILE C . 51240 1 133 . 1 . 1 29 29 ILE CA C 13 65.244 0.3 . 1 . . . . . 29 ILE CA . 51240 1 134 . 1 . 1 29 29 ILE CB C 13 38.546 0.3 . 1 . . . . . 29 ILE CB . 51240 1 135 . 1 . 1 29 29 ILE N N 15 123.285 0.3 . 1 . . . . . 29 ILE N . 51240 1 136 . 1 . 1 30 30 ALA H H 1 8.113 0.020 . 1 . . . . . 30 ALA H . 51240 1 137 . 1 . 1 30 30 ALA C C 13 178.812 0.3 . 1 . . . . . 30 ALA C . 51240 1 138 . 1 . 1 30 30 ALA CA C 13 53.554 0.3 . 1 . . . . . 30 ALA CA . 51240 1 139 . 1 . 1 30 30 ALA CB C 13 18.412 0.3 . 1 . . . . . 30 ALA CB . 51240 1 140 . 1 . 1 30 30 ALA N N 15 119.089 0.3 . 1 . . . . . 30 ALA N . 51240 1 141 . 1 . 1 31 31 SER H H 1 7.423 0.020 . 1 . . . . . 31 SER H . 51240 1 142 . 1 . 1 31 31 SER C C 13 177.714 0.3 . 1 . . . . . 31 SER C . 51240 1 143 . 1 . 1 31 31 SER CA C 13 59.743 0.3 . 1 . . . . . 31 SER CA . 51240 1 144 . 1 . 1 31 31 SER CB C 13 63.662 0.3 . 1 . . . . . 31 SER CB . 51240 1 145 . 1 . 1 31 31 SER N N 15 111.599 0.3 . 1 . . . . . 31 SER N . 51240 1 146 . 1 . 1 32 32 GLY H H 1 7.810 0.020 . 1 . . . . . 32 GLY H . 51240 1 147 . 1 . 1 32 32 GLY C C 13 176.599 0.3 . 1 . . . . . 32 GLY C . 51240 1 148 . 1 . 1 32 32 GLY CA C 13 45.852 0.3 . 1 . . . . . 32 GLY CA . 51240 1 149 . 1 . 1 32 32 GLY N N 15 108.220 0.3 . 1 . . . . . 32 GLY N . 51240 1 150 . 1 . 1 33 33 GLY H H 1 7.598 0.020 . 1 . . . . . 33 GLY H . 51240 1 151 . 1 . 1 33 33 GLY C C 13 177.127 0.3 . 1 . . . . . 33 GLY C . 51240 1 152 . 1 . 1 33 33 GLY CA C 13 44.294 0.3 . 1 . . . . . 33 GLY CA . 51240 1 153 . 1 . 1 33 33 GLY N N 15 107.127 0.3 . 1 . . . . . 33 GLY N . 51240 1 154 . 1 . 1 34 34 ASN H H 1 8.665 0.020 . 1 . . . . . 34 ASN H . 51240 1 155 . 1 . 1 34 34 ASN C C 13 180.468 0.3 . 1 . . . . . 34 ASN C . 51240 1 156 . 1 . 1 34 34 ASN CA C 13 57.209 0.3 . 1 . . . . . 34 ASN CA . 51240 1 157 . 1 . 1 34 34 ASN CB C 13 38.187 0.3 . 1 . . . . . 34 ASN CB . 51240 1 158 . 1 . 1 34 34 ASN N N 15 117.655 0.3 . 1 . . . . . 34 ASN N . 51240 1 159 . 1 . 1 35 35 GLU H H 1 8.996 0.020 . 1 . . . . . 35 GLU H . 51240 1 160 . 1 . 1 35 35 GLU C C 13 181.995 0.3 . 1 . . . . . 35 GLU C . 51240 1 161 . 1 . 1 35 35 GLU CA C 13 59.926 0.3 . 1 . . . . . 35 GLU CA . 51240 1 162 . 1 . 1 35 35 GLU CB C 13 28.723 0.3 . 1 . . . . . 35 GLU CB . 51240 1 163 . 1 . 1 35 35 GLU N N 15 120.056 0.3 . 1 . . . . . 35 GLU N . 51240 1 164 . 1 . 1 36 36 GLN H H 1 7.699 0.020 . 1 . . . . . 36 GLN H . 51240 1 165 . 1 . 1 36 36 GLN C C 13 180.977 0.3 . 1 . . . . . 36 GLN C . 51240 1 166 . 1 . 1 36 36 GLN CA C 13 58.918 0.3 . 1 . . . . . 36 GLN CA . 51240 1 167 . 1 . 1 36 36 GLN CB C 13 28.436 0.3 . 1 . . . . . 36 GLN CB . 51240 1 168 . 1 . 1 36 36 GLN N N 15 120.929 0.3 . 1 . . . . . 36 GLN N . 51240 1 169 . 1 . 1 37 37 ILE H H 1 8.181 0.020 . 1 . . . . . 37 ILE H . 51240 1 170 . 1 . 1 37 37 ILE C C 13 180.748 0.3 . 1 . . . . . 37 ILE C . 51240 1 171 . 1 . 1 37 37 ILE CA C 13 66.710 0.3 . 1 . . . . . 37 ILE CA . 51240 1 172 . 1 . 1 37 37 ILE CB C 13 38.371 0.3 . 1 . . . . . 37 ILE CB . 51240 1 173 . 1 . 1 37 37 ILE N N 15 119.342 0.3 . 1 . . . . . 37 ILE N . 51240 1 174 . 1 . 1 38 38 GLN H H 1 8.200 0.020 . 1 . . . . . 38 GLN H . 51240 1 175 . 1 . 1 38 38 GLN C C 13 179.847 0.3 . 1 . . . . . 38 GLN C . 51240 1 176 . 1 . 1 38 38 GLN CA C 13 58.093 0.3 . 1 . . . . . 38 GLN CA . 51240 1 177 . 1 . 1 38 38 GLN CB C 13 27.783 0.3 . 1 . . . . . 38 GLN CB . 51240 1 178 . 1 . 1 38 38 GLN N N 15 118.158 0.3 . 1 . . . . . 38 GLN N . 51240 1 179 . 1 . 1 39 39 ALA H H 1 7.551 0.020 . 1 . . . . . 39 ALA H . 51240 1 180 . 1 . 1 39 39 ALA C C 13 183.407 0.3 . 1 . . . . . 39 ALA C . 51240 1 181 . 1 . 1 39 39 ALA CA C 13 55.388 0.3 . 1 . . . . . 39 ALA CA . 51240 1 182 . 1 . 1 39 39 ALA CB C 13 17.600 0.3 . 1 . . . . . 39 ALA CB . 51240 1 183 . 1 . 1 39 39 ALA N N 15 120.741 0.3 . 1 . . . . . 39 ALA N . 51240 1 184 . 1 . 1 40 40 VAL H H 1 7.715 0.020 . 1 . . . . . 40 VAL H . 51240 1 185 . 1 . 1 40 40 VAL C C 13 180.164 0.3 . 1 . . . . . 40 VAL C . 51240 1 186 . 1 . 1 40 40 VAL CA C 13 66.895 0.3 . 1 . . . . . 40 VAL CA . 51240 1 187 . 1 . 1 40 40 VAL CB C 13 31.562 0.3 . 1 . . . . . 40 VAL CB . 51240 1 188 . 1 . 1 40 40 VAL N N 15 118.609 0.3 . 1 . . . . . 40 VAL N . 51240 1 189 . 1 . 1 41 41 ILE H H 1 8.023 0.020 . 1 . . . . . 41 ILE H . 51240 1 190 . 1 . 1 41 41 ILE C C 13 183.971 0.3 . 1 . . . . . 41 ILE C . 51240 1 191 . 1 . 1 41 41 ILE CA C 13 65.978 0.3 . 1 . . . . . 41 ILE CA . 51240 1 192 . 1 . 1 41 41 ILE CB C 13 38.041 0.3 . 1 . . . . . 41 ILE CB . 51240 1 193 . 1 . 1 41 41 ILE N N 15 120.708 0.3 . 1 . . . . . 41 ILE N . 51240 1 194 . 1 . 1 42 42 ASP H H 1 9.426 0.020 . 1 . . . . . 42 ASP H . 51240 1 195 . 1 . 1 42 42 ASP C C 13 179.962 0.3 . 1 . . . . . 42 ASP C . 51240 1 196 . 1 . 1 42 42 ASP CA C 13 57.267 0.3 . 1 . . . . . 42 ASP CA . 51240 1 197 . 1 . 1 42 42 ASP CB C 13 39.875 0.3 . 1 . . . . . 42 ASP CB . 51240 1 198 . 1 . 1 42 42 ASP N N 15 123.845 0.3 . 1 . . . . . 42 ASP N . 51240 1 199 . 1 . 1 43 43 ALA H H 1 7.509 0.020 . 1 . . . . . 43 ALA H . 51240 1 200 . 1 . 1 43 43 ALA C C 13 179.865 0.3 . 1 . . . . . 43 ALA C . 51240 1 201 . 1 . 1 43 43 ALA CA C 13 52.404 0.3 . 1 . . . . . 43 ALA CA . 51240 1 202 . 1 . 1 43 43 ALA CB C 13 19.024 0.3 . 1 . . . . . 43 ALA CB . 51240 1 203 . 1 . 1 43 43 ALA N N 15 119.392 0.3 . 1 . . . . . 43 ALA N . 51240 1 204 . 1 . 1 44 44 GLY H H 1 8.001 0.020 . 1 . . . . . 44 GLY H . 51240 1 205 . 1 . 1 44 44 GLY C C 13 178.922 0.3 . 1 . . . . . 44 GLY C . 51240 1 206 . 1 . 1 44 44 GLY CA C 13 45.667 0.3 . 1 . . . . . 44 GLY CA . 51240 1 207 . 1 . 1 44 44 GLY N N 15 104.248 0.3 . 1 . . . . . 44 GLY N . 51240 1 208 . 1 . 1 45 45 ALA H H 1 7.200 0.020 . 1 . . . . . 45 ALA H . 51240 1 209 . 1 . 1 45 45 ALA C C 13 181.160 0.3 . 1 . . . . . 45 ALA C . 51240 1 210 . 1 . 1 45 45 ALA CA C 13 54.746 0.3 . 1 . . . . . 45 ALA CA . 51240 1 211 . 1 . 1 45 45 ALA CB C 13 20.549 0.3 . 1 . . . . . 45 ALA CB . 51240 1 212 . 1 . 1 45 45 ALA N N 15 117.275 0.3 . 1 . . . . . 45 ALA N . 51240 1 213 . 1 . 1 46 46 LEU H H 1 9.160 0.020 . 1 . . . . . 46 LEU H . 51240 1 214 . 1 . 1 46 46 LEU C C 13 178.121 0.3 . 1 . . . . . 46 LEU C . 51240 1 215 . 1 . 1 46 46 LEU CA C 13 60.385 0.3 . 1 . . . . . 46 LEU CA . 51240 1 216 . 1 . 1 46 46 LEU CB C 13 38.870 0.3 . 1 . . . . . 46 LEU CB . 51240 1 217 . 1 . 1 46 46 LEU N N 15 113.386 0.3 . 1 . . . . . 46 LEU N . 51240 1 218 . 1 . 1 47 47 PRO C C 13 182.014 0.3 . 1 . . . . . 47 PRO C . 51240 1 219 . 1 . 1 47 47 PRO CA C 13 66.207 0.3 . 1 . . . . . 47 PRO CA . 51240 1 220 . 1 . 1 48 48 ALA H H 1 6.794 0.020 . 1 . . . . . 48 ALA H . 51240 1 221 . 1 . 1 48 48 ALA C C 13 182.282 0.3 . 1 . . . . . 48 ALA C . 51240 1 222 . 1 . 1 48 48 ALA CA C 13 54.471 0.3 . 1 . . . . . 48 ALA CA . 51240 1 223 . 1 . 1 48 48 ALA CB C 13 19.213 0.3 . 1 . . . . . 48 ALA CB . 51240 1 224 . 1 . 1 48 48 ALA N N 15 118.131 0.3 . 1 . . . . . 48 ALA N . 51240 1 225 . 1 . 1 49 49 LEU H H 1 8.120 0.020 . 1 . . . . . 49 LEU H . 51240 1 226 . 1 . 1 49 49 LEU C C 13 180.776 0.3 . 1 . . . . . 49 LEU C . 51240 1 227 . 1 . 1 49 49 LEU CA C 13 58.138 0.3 . 1 . . . . . 49 LEU CA . 51240 1 228 . 1 . 1 49 49 LEU CB C 13 42.588 0.3 . 1 . . . . . 49 LEU CB . 51240 1 229 . 1 . 1 49 49 LEU N N 15 118.055 0.3 . 1 . . . . . 49 LEU N . 51240 1 230 . 1 . 1 50 50 VAL H H 1 8.323 0.020 . 1 . . . . . 50 VAL H . 51240 1 231 . 1 . 1 50 50 VAL C C 13 182.076 0.3 . 1 . . . . . 50 VAL C . 51240 1 232 . 1 . 1 50 50 VAL CA C 13 67.078 0.3 . 1 . . . . . 50 VAL CA . 51240 1 233 . 1 . 1 50 50 VAL CB C 13 31.219 0.3 . 1 . . . . . 50 VAL CB . 51240 1 234 . 1 . 1 50 50 VAL N N 15 115.763 0.3 . 1 . . . . . 50 VAL N . 51240 1 235 . 1 . 1 51 51 GLN H H 1 7.675 0.020 . 1 . . . . . 51 GLN H . 51240 1 236 . 1 . 1 51 51 GLN C C 13 181.904 0.3 . 1 . . . . . 51 GLN C . 51240 1 237 . 1 . 1 51 51 GLN CA C 13 59.055 0.3 . 1 . . . . . 51 GLN CA . 51240 1 238 . 1 . 1 51 51 GLN CB C 13 28.113 0.3 . 1 . . . . . 51 GLN CB . 51240 1 239 . 1 . 1 51 51 GLN N N 15 119.602 0.3 . 1 . . . . . 51 GLN N . 51240 1 240 . 1 . 1 52 52 LEU H H 1 7.612 0.020 . 1 . . . . . 52 LEU H . 51240 1 241 . 1 . 1 52 52 LEU C C 13 180.178 0.3 . 1 . . . . . 52 LEU C . 51240 1 242 . 1 . 1 52 52 LEU CA C 13 56.946 0.3 . 1 . . . . . 52 LEU CA . 51240 1 243 . 1 . 1 52 52 LEU CB C 13 41.396 0.3 . 1 . . . . . 52 LEU CB . 51240 1 244 . 1 . 1 52 52 LEU N N 15 119.746 0.3 . 1 . . . . . 52 LEU N . 51240 1 245 . 1 . 1 53 53 LEU H H 1 7.380 0.020 . 1 . . . . . 53 LEU H . 51240 1 246 . 1 . 1 53 53 LEU C C 13 179.249 0.3 . 1 . . . . . 53 LEU C . 51240 1 247 . 1 . 1 53 53 LEU CA C 13 55.927 0.3 . 1 . . . . . 53 LEU CA . 51240 1 248 . 1 . 1 53 53 LEU CB C 13 40.451 0.3 . 1 . . . . . 53 LEU CB . 51240 1 249 . 1 . 1 53 53 LEU N N 15 116.046 0.3 . 1 . . . . . 53 LEU N . 51240 1 250 . 1 . 1 54 54 SER H H 1 7.370 0.020 . 1 . . . . . 54 SER H . 51240 1 251 . 1 . 1 54 54 SER C C 13 176.782 0.3 . 1 . . . . . 54 SER C . 51240 1 252 . 1 . 1 54 54 SER CA C 13 58.061 0.3 . 1 . . . . . 54 SER CA . 51240 1 253 . 1 . 1 54 54 SER CB C 13 63.714 0.3 . 1 . . . . . 54 SER CB . 51240 1 254 . 1 . 1 54 54 SER N N 15 111.078 0.3 . 1 . . . . . 54 SER N . 51240 1 255 . 1 . 1 55 55 SER H H 1 7.499 0.020 . 1 . . . . . 55 SER H . 51240 1 256 . 1 . 1 55 55 SER C C 13 177.488 0.3 . 1 . . . . . 55 SER C . 51240 1 257 . 1 . 1 55 55 SER CA C 13 56.946 0.3 . 1 . . . . . 55 SER CA . 51240 1 258 . 1 . 1 55 55 SER CB C 13 65.076 0.3 . 1 . . . . . 55 SER CB . 51240 1 259 . 1 . 1 55 55 SER N N 15 117.967 0.3 . 1 . . . . . 55 SER N . 51240 1 260 . 1 . 1 56 56 PRO C C 13 179.300 0.3 . 1 . . . . . 56 PRO C . 51240 1 261 . 1 . 1 56 56 PRO CA C 13 63.135 0.3 . 1 . . . . . 56 PRO CA . 51240 1 262 . 1 . 1 56 56 PRO CB C 13 31.769 0.3 . 1 . . . . . 56 PRO CB . 51240 1 263 . 1 . 1 57 57 ASN H H 1 8.209 0.020 . 1 . . . . . 57 ASN H . 51240 1 264 . 1 . 1 57 57 ASN C C 13 177.985 0.3 . 1 . . . . . 57 ASN C . 51240 1 265 . 1 . 1 57 57 ASN CA C 13 52.884 0.3 . 1 . . . . . 57 ASN CA . 51240 1 266 . 1 . 1 57 57 ASN CB C 13 39.012 0.3 . 1 . . . . . 57 ASN CB . 51240 1 267 . 1 . 1 57 57 ASN N N 15 120.476 0.3 . 1 . . . . . 57 ASN N . 51240 1 268 . 1 . 1 58 58 GLU H H 1 9.009 0.020 . 1 . . . . . 58 GLU H . 51240 1 269 . 1 . 1 58 58 GLU C C 13 180.808 0.3 . 1 . . . . . 58 GLU C . 51240 1 270 . 1 . 1 58 58 GLU CA C 13 60.018 0.3 . 1 . . . . . 58 GLU CA . 51240 1 271 . 1 . 1 58 58 GLU CB C 13 29.860 0.3 . 1 . . . . . 58 GLU CB . 51240 1 272 . 1 . 1 58 58 GLU N N 15 126.426 0.3 . 1 . . . . . 58 GLU N . 51240 1 273 . 1 . 1 59 59 GLN H H 1 8.222 0.020 . 1 . . . . . 59 GLN H . 51240 1 274 . 1 . 1 59 59 GLN C C 13 181.258 0.3 . 1 . . . . . 59 GLN C . 51240 1 275 . 1 . 1 59 59 GLN CA C 13 59.422 0.3 . 1 . . . . . 59 GLN CA . 51240 1 276 . 1 . 1 59 59 GLN CB C 13 28.377 0.3 . 1 . . . . . 59 GLN CB . 51240 1 277 . 1 . 1 59 59 GLN N N 15 119.048 0.3 . 1 . . . . . 59 GLN N . 51240 1 278 . 1 . 1 60 60 ILE H H 1 7.415 0.020 . 1 . . . . . 60 ILE H . 51240 1 279 . 1 . 1 60 60 ILE C C 13 179.898 0.3 . 1 . . . . . 60 ILE C . 51240 1 280 . 1 . 1 60 60 ILE CA C 13 64.969 0.3 . 1 . . . . . 60 ILE CA . 51240 1 281 . 1 . 1 60 60 ILE CB C 13 37.179 0.3 . 1 . . . . . 60 ILE CB . 51240 1 282 . 1 . 1 60 60 ILE N N 15 120.763 0.3 . 1 . . . . . 60 ILE N . 51240 1 283 . 1 . 1 61 61 LEU H H 1 8.178 0.020 . 1 . . . . . 61 LEU H . 51240 1 284 . 1 . 1 61 61 LEU C C 13 181.446 0.3 . 1 . . . . . 61 LEU C . 51240 1 285 . 1 . 1 61 61 LEU CA C 13 58.785 0.3 . 1 . . . . . 61 LEU CA . 51240 1 286 . 1 . 1 61 61 LEU CB C 13 43.030 0.3 . 1 . . . . . 61 LEU CB . 51240 1 287 . 1 . 1 61 61 LEU N N 15 119.254 0.3 . 1 . . . . . 61 LEU N . 51240 1 288 . 1 . 1 62 62 GLN H H 1 7.955 0.020 . 1 . . . . . 62 GLN H . 51240 1 289 . 1 . 1 62 62 GLN C C 13 181.358 0.3 . 1 . . . . . 62 GLN C . 51240 1 290 . 1 . 1 62 62 GLN CA C 13 59.434 0.3 . 1 . . . . . 62 GLN CA . 51240 1 291 . 1 . 1 62 62 GLN CB C 13 29.018 0.3 . 1 . . . . . 62 GLN CB . 51240 1 292 . 1 . 1 62 62 GLN N N 15 115.343 0.3 . 1 . . . . . 62 GLN N . 51240 1 293 . 1 . 1 63 63 GLU H H 1 7.710 0.020 . 1 . . . . . 63 GLU H . 51240 1 294 . 1 . 1 63 63 GLU C C 13 181.468 0.3 . 1 . . . . . 63 GLU C . 51240 1 295 . 1 . 1 63 63 GLU CA C 13 58.689 0.3 . 1 . . . . . 63 GLU CA . 51240 1 296 . 1 . 1 63 63 GLU CB C 13 28.983 0.3 . 1 . . . . . 63 GLU CB . 51240 1 297 . 1 . 1 63 63 GLU N N 15 118.490 0.3 . 1 . . . . . 63 GLU N . 51240 1 298 . 1 . 1 64 64 ALA H H 1 8.959 0.020 . 1 . . . . . 64 ALA H . 51240 1 299 . 1 . 1 64 64 ALA C C 13 182.150 0.3 . 1 . . . . . 64 ALA C . 51240 1 300 . 1 . 1 64 64 ALA CA C 13 55.503 0.3 . 1 . . . . . 64 ALA CA . 51240 1 301 . 1 . 1 64 64 ALA CB C 13 17.712 0.3 . 1 . . . . . 64 ALA CB . 51240 1 302 . 1 . 1 64 64 ALA N N 15 123.185 0.3 . 1 . . . . . 64 ALA N . 51240 1 303 . 1 . 1 65 65 LEU H H 1 8.478 0.020 . 1 . . . . . 65 LEU H . 51240 1 304 . 1 . 1 65 65 LEU C C 13 181.393 0.3 . 1 . . . . . 65 LEU C . 51240 1 305 . 1 . 1 65 65 LEU CA C 13 58.093 0.3 . 1 . . . . . 65 LEU CA . 51240 1 306 . 1 . 1 65 65 LEU CB C 13 42.096 0.3 . 1 . . . . . 65 LEU CB . 51240 1 307 . 1 . 1 65 65 LEU N N 15 118.308 0.3 . 1 . . . . . 65 LEU N . 51240 1 308 . 1 . 1 66 66 TRP H H 1 7.992 0.020 . 1 . . . . . 66 TRP H . 51240 1 309 . 1 . 1 66 66 TRP C C 13 181.113 0.3 . 1 . . . . . 66 TRP C . 51240 1 310 . 1 . 1 66 66 TRP CA C 13 59.268 0.3 . 1 . . . . . 66 TRP CA . 51240 1 311 . 1 . 1 66 66 TRP CB C 13 28.743 0.3 . 1 . . . . . 66 TRP CB . 51240 1 312 . 1 . 1 66 66 TRP N N 15 121.980 0.3 . 1 . . . . . 66 TRP N . 51240 1 313 . 1 . 1 67 67 ALA H H 1 8.126 0.020 . 1 . . . . . 67 ALA H . 51240 1 314 . 1 . 1 67 67 ALA C C 13 182.035 0.3 . 1 . . . . . 67 ALA C . 51240 1 315 . 1 . 1 67 67 ALA CA C 13 56.305 0.3 . 1 . . . . . 67 ALA CA . 51240 1 316 . 1 . 1 67 67 ALA CB C 13 17.250 0.3 . 1 . . . . . 67 ALA CB . 51240 1 317 . 1 . 1 67 67 ALA N N 15 120.443 0.3 . 1 . . . . . 67 ALA N . 51240 1 318 . 1 . 1 68 68 LEU H H 1 8.444 0.020 . 1 . . . . . 68 LEU H . 51240 1 319 . 1 . 1 68 68 LEU C C 13 180.911 0.3 . 1 . . . . . 68 LEU C . 51240 1 320 . 1 . 1 68 68 LEU CA C 13 58.138 0.3 . 1 . . . . . 68 LEU CA . 51240 1 321 . 1 . 1 68 68 LEU CB C 13 42.238 0.3 . 1 . . . . . 68 LEU CB . 51240 1 322 . 1 . 1 68 68 LEU N N 15 116.719 0.3 . 1 . . . . . 68 LEU N . 51240 1 323 . 1 . 1 69 69 SER H H 1 8.784 0.020 . 1 . . . . . 69 SER H . 51240 1 324 . 1 . 1 69 69 SER C C 13 179.770 0.3 . 1 . . . . . 69 SER C . 51240 1 325 . 1 . 1 69 69 SER CA C 13 61.852 0.3 . 1 . . . . . 69 SER CA . 51240 1 326 . 1 . 1 69 69 SER CB C 13 63.303 0.3 . 1 . . . . . 69 SER CB . 51240 1 327 . 1 . 1 69 69 SER N N 15 114.895 0.3 . 1 . . . . . 69 SER N . 51240 1 328 . 1 . 1 70 70 ASN H H 1 7.710 0.020 . 1 . . . . . 70 ASN H . 51240 1 329 . 1 . 1 70 70 ASN C C 13 180.971 0.3 . 1 . . . . . 70 ASN C . 51240 1 330 . 1 . 1 70 70 ASN CA C 13 55.984 0.3 . 1 . . . . . 70 ASN CA . 51240 1 331 . 1 . 1 70 70 ASN CB C 13 37.660 0.3 . 1 . . . . . 70 ASN CB . 51240 1 332 . 1 . 1 70 70 ASN N N 15 118.309 0.3 . 1 . . . . . 70 ASN N . 51240 1 333 . 1 . 1 71 71 ILE H H 1 7.837 0.020 . 1 . . . . . 71 ILE H . 51240 1 334 . 1 . 1 71 71 ILE C C 13 179.068 0.3 . 1 . . . . . 71 ILE C . 51240 1 335 . 1 . 1 71 71 ILE CA C 13 65.015 0.3 . 1 . . . . . 71 ILE CA . 51240 1 336 . 1 . 1 71 71 ILE CB C 13 37.896 0.3 . 1 . . . . . 71 ILE CB . 51240 1 337 . 1 . 1 71 71 ILE N N 15 122.400 0.3 . 1 . . . . . 71 ILE N . 51240 1 338 . 1 . 1 72 72 ALA H H 1 8.305 0.020 . 1 . . . . . 72 ALA H . 51240 1 339 . 1 . 1 72 72 ALA C C 13 178.289 0.3 . 1 . . . . . 72 ALA C . 51240 1 340 . 1 . 1 72 72 ALA CA C 13 53.371 0.3 . 1 . . . . . 72 ALA CA . 51240 1 341 . 1 . 1 72 72 ALA CB C 13 18.589 0.3 . 1 . . . . . 72 ALA CB . 51240 1 342 . 1 . 1 72 72 ALA N N 15 118.230 0.3 . 1 . . . . . 72 ALA N . 51240 1 343 . 1 . 1 73 73 SER H H 1 7.220 0.020 . 1 . . . . . 73 SER H . 51240 1 344 . 1 . 1 73 73 SER C C 13 177.124 0.3 . 1 . . . . . 73 SER C . 51240 1 345 . 1 . 1 73 73 SER CA C 13 59.605 0.3 . 1 . . . . . 73 SER CA . 51240 1 346 . 1 . 1 73 73 SER CB C 13 63.855 0.3 . 1 . . . . . 73 SER CB . 51240 1 347 . 1 . 1 73 73 SER N N 15 112.024 0.3 . 1 . . . . . 73 SER N . 51240 1 348 . 1 . 1 74 74 GLY H H 1 7.842 0.020 . 1 . . . . . 74 GLY H . 51240 1 349 . 1 . 1 74 74 GLY C C 13 175.302 0.3 . 1 . . . . . 74 GLY C . 51240 1 350 . 1 . 1 74 74 GLY CA C 13 45.012 0.3 . 1 . . . . . 74 GLY CA . 51240 1 351 . 1 . 1 74 74 GLY N N 15 108.703 0.3 . 1 . . . . . 74 GLY N . 51240 1 352 . 1 . 1 75 75 GLY H H 1 7.984 0.020 . 1 . . . . . 75 GLY H . 51240 1 353 . 1 . 1 75 75 GLY C C 13 177.894 0.3 . 1 . . . . . 75 GLY C . 51240 1 354 . 1 . 1 75 75 GLY CA C 13 44.591 0.3 . 1 . . . . . 75 GLY CA . 51240 1 355 . 1 . 1 75 75 GLY N N 15 103.996 0.3 . 1 . . . . . 75 GLY N . 51240 1 356 . 1 . 1 76 76 ASN H H 1 8.875 0.020 . 1 . . . . . 76 ASN H . 51240 1 357 . 1 . 1 76 76 ASN C C 13 180.721 0.3 . 1 . . . . . 76 ASN C . 51240 1 358 . 1 . 1 76 76 ASN CA C 13 57.634 0.3 . 1 . . . . . 76 ASN CA . 51240 1 359 . 1 . 1 76 76 ASN CB C 13 38.213 0.3 . 1 . . . . . 76 ASN CB . 51240 1 360 . 1 . 1 76 76 ASN N N 15 118.718 0.3 . 1 . . . . . 76 ASN N . 51240 1 361 . 1 . 1 77 77 GLU H H 1 9.396 0.020 . 1 . . . . . 77 GLU H . 51240 1 362 . 1 . 1 77 77 GLU C C 13 181.784 0.3 . 1 . . . . . 77 GLU C . 51240 1 363 . 1 . 1 77 77 GLU CA C 13 59.972 0.3 . 1 . . . . . 77 GLU CA . 51240 1 364 . 1 . 1 77 77 GLU CB C 13 28.499 0.3 . 1 . . . . . 77 GLU CB . 51240 1 365 . 1 . 1 77 77 GLU N N 15 118.910 0.3 . 1 . . . . . 77 GLU N . 51240 1 366 . 1 . 1 78 78 GLN H H 1 7.314 0.020 . 1 . . . . . 78 GLN H . 51240 1 367 . 1 . 1 78 78 GLN C C 13 180.169 0.3 . 1 . . . . . 78 GLN C . 51240 1 368 . 1 . 1 78 78 GLN CA C 13 59.972 0.3 . 1 . . . . . 78 GLN CA . 51240 1 369 . 1 . 1 78 78 GLN CB C 13 26.635 0.3 . 1 . . . . . 78 GLN CB . 51240 1 370 . 1 . 1 78 78 GLN N N 15 121.261 0.3 . 1 . . . . . 78 GLN N . 51240 1 371 . 1 . 1 79 79 LYS H H 1 8.255 0.020 . 1 . . . . . 79 LYS H . 51240 1 372 . 1 . 1 79 79 LYS C C 13 181.887 0.3 . 1 . . . . . 79 LYS C . 51240 1 373 . 1 . 1 79 79 LYS CA C 13 60.641 0.3 . 1 . . . . . 79 LYS CA . 51240 1 374 . 1 . 1 79 79 LYS CB C 13 33.400 0.3 . 1 . . . . . 79 LYS CB . 51240 1 375 . 1 . 1 79 79 LYS N N 15 118.269 0.3 . 1 . . . . . 79 LYS N . 51240 1 376 . 1 . 1 80 80 GLN H H 1 8.141 0.020 . 1 . . . . . 80 GLN H . 51240 1 377 . 1 . 1 80 80 GLN C C 13 180.438 0.3 . 1 . . . . . 80 GLN C . 51240 1 378 . 1 . 1 80 80 GLN CA C 13 58.780 0.3 . 1 . . . . . 80 GLN CA . 51240 1 379 . 1 . 1 80 80 GLN CB C 13 27.551 0.3 . 1 . . . . . 80 GLN CB . 51240 1 380 . 1 . 1 80 80 GLN N N 15 117.821 0.3 . 1 . . . . . 80 GLN N . 51240 1 381 . 1 . 1 81 81 ALA H H 1 7.413 0.020 . 1 . . . . . 81 ALA H . 51240 1 382 . 1 . 1 81 81 ALA C C 13 183.272 0.3 . 1 . . . . . 81 ALA C . 51240 1 383 . 1 . 1 81 81 ALA CA C 13 55.250 0.3 . 1 . . . . . 81 ALA CA . 51240 1 384 . 1 . 1 81 81 ALA CB C 13 17.718 0.3 . 1 . . . . . 81 ALA CB . 51240 1 385 . 1 . 1 81 81 ALA N N 15 121.615 0.3 . 1 . . . . . 81 ALA N . 51240 1 386 . 1 . 1 82 82 VAL H H 1 7.546 0.020 . 1 . . . . . 82 VAL H . 51240 1 387 . 1 . 1 82 82 VAL C C 13 180.516 0.3 . 1 . . . . . 82 VAL C . 51240 1 388 . 1 . 1 82 82 VAL CA C 13 66.986 0.3 . 1 . . . . . 82 VAL CA . 51240 1 389 . 1 . 1 82 82 VAL CB C 13 31.036 0.3 . 1 . . . . . 82 VAL CB . 51240 1 390 . 1 . 1 82 82 VAL N N 15 118.542 0.3 . 1 . . . . . 82 VAL N . 51240 1 391 . 1 . 1 83 83 LYS H H 1 7.848 0.020 . 1 . . . . . 83 LYS H . 51240 1 392 . 1 . 1 83 83 LYS C C 13 183.876 0.3 . 1 . . . . . 83 LYS C . 51240 1 393 . 1 . 1 83 83 LYS CA C 13 60.339 0.3 . 1 . . . . . 83 LYS CA . 51240 1 394 . 1 . 1 83 83 LYS CB C 13 31.969 0.3 . 1 . . . . . 83 LYS CB . 51240 1 395 . 1 . 1 83 83 LYS N N 15 119.005 0.3 . 1 . . . . . 83 LYS N . 51240 1 396 . 1 . 1 84 84 GLU H H 1 8.786 0.020 . 1 . . . . . 84 GLU H . 51240 1 397 . 1 . 1 84 84 GLU C C 13 179.835 0.3 . 1 . . . . . 84 GLU C . 51240 1 398 . 1 . 1 84 84 GLU CA C 13 58.780 0.3 . 1 . . . . . 84 GLU CA . 51240 1 399 . 1 . 1 84 84 GLU CB C 13 29.164 0.3 . 1 . . . . . 84 GLU CB . 51240 1 400 . 1 . 1 84 84 GLU N N 15 121.327 0.3 . 1 . . . . . 84 GLU N . 51240 1 401 . 1 . 1 85 85 ALA H H 1 7.367 0.020 . 1 . . . . . 85 ALA H . 51240 1 402 . 1 . 1 85 85 ALA C C 13 179.798 0.3 . 1 . . . . . 85 ALA C . 51240 1 403 . 1 . 1 85 85 ALA CA C 13 52.176 0.3 . 1 . . . . . 85 ALA CA . 51240 1 404 . 1 . 1 85 85 ALA CB C 13 18.900 0.3 . 1 . . . . . 85 ALA CB . 51240 1 405 . 1 . 1 85 85 ALA N N 15 118.747 0.3 . 1 . . . . . 85 ALA N . 51240 1 406 . 1 . 1 86 86 GLY H H 1 7.742 0.020 . 1 . . . . . 86 GLY H . 51240 1 407 . 1 . 1 86 86 GLY C C 13 178.952 0.3 . 1 . . . . . 86 GLY C . 51240 1 408 . 1 . 1 86 86 GLY CA C 13 45.550 0.3 . 1 . . . . . 86 GLY CA . 51240 1 409 . 1 . 1 86 86 GLY N N 15 103.781 0.3 . 1 . . . . . 86 GLY N . 51240 1 410 . 1 . 1 87 87 ALA H H 1 7.011 0.020 . 1 . . . . . 87 ALA H . 51240 1 411 . 1 . 1 87 87 ALA C C 13 181.375 0.3 . 1 . . . . . 87 ALA C . 51240 1 412 . 1 . 1 87 87 ALA CA C 13 55.067 0.3 . 1 . . . . . 87 ALA CA . 51240 1 413 . 1 . 1 87 87 ALA CB C 13 20.400 0.3 . 1 . . . . . 87 ALA CB . 51240 1 414 . 1 . 1 87 87 ALA N N 15 116.884 0.3 . 1 . . . . . 87 ALA N . 51240 1 415 . 1 . 1 88 88 LEU H H 1 8.874 0.020 . 1 . . . . . 88 LEU H . 51240 1 416 . 1 . 1 88 88 LEU C C 13 181.304 0.3 . 1 . . . . . 88 LEU C . 51240 1 417 . 1 . 1 88 88 LEU CA C 13 59.881 0.3 . 1 . . . . . 88 LEU CA . 51240 1 418 . 1 . 1 88 88 LEU CB C 13 40.571 0.3 . 1 . . . . . 88 LEU CB . 51240 1 419 . 1 . 1 88 88 LEU N N 15 116.211 0.3 . 1 . . . . . 88 LEU N . 51240 1 420 . 1 . 1 89 89 GLU H H 1 8.246 0.020 . 1 . . . . . 89 GLU H . 51240 1 421 . 1 . 1 89 89 GLU C C 13 181.935 0.3 . 1 . . . . . 89 GLU C . 51240 1 422 . 1 . 1 89 89 GLU CA C 13 59.731 0.3 . 1 . . . . . 89 GLU CA . 51240 1 423 . 1 . 1 89 89 GLU CB C 13 28.946 0.3 . 1 . . . . . 89 GLU CB . 51240 1 424 . 1 . 1 89 89 GLU N N 15 116.728 0.3 . 1 . . . . . 89 GLU N . 51240 1 425 . 1 . 1 90 90 LYS H H 1 6.755 0.020 . 1 . . . . . 90 LYS H . 51240 1 426 . 1 . 1 90 90 LYS C C 13 181.850 0.3 . 1 . . . . . 90 LYS C . 51240 1 427 . 1 . 1 90 90 LYS CA C 13 57.222 0.3 . 1 . . . . . 90 LYS CA . 51240 1 428 . 1 . 1 90 90 LYS CB C 13 32.496 0.3 . 1 . . . . . 90 LYS CB . 51240 1 429 . 1 . 1 90 90 LYS N N 15 115.539 0.3 . 1 . . . . . 90 LYS N . 51240 1 430 . 1 . 1 91 91 LEU H H 1 8.312 0.020 . 1 . . . . . 91 LEU H . 51240 1 431 . 1 . 1 91 91 LEU C C 13 181.674 0.3 . 1 . . . . . 91 LEU C . 51240 1 432 . 1 . 1 91 91 LEU CA C 13 58.184 0.3 . 1 . . . . . 91 LEU CA . 51240 1 433 . 1 . 1 91 91 LEU CB C 13 41.925 0.3 . 1 . . . . . 91 LEU CB . 51240 1 434 . 1 . 1 91 91 LEU N N 15 119.459 0.3 . 1 . . . . . 91 LEU N . 51240 1 435 . 1 . 1 92 92 GLU H H 1 8.260 0.020 . 1 . . . . . 92 GLU H . 51240 1 436 . 1 . 1 92 92 GLU C C 13 182.533 0.3 . 1 . . . . . 92 GLU C . 51240 1 437 . 1 . 1 92 92 GLU CA C 13 59.376 0.3 . 1 . . . . . 92 GLU CA . 51240 1 438 . 1 . 1 92 92 GLU CB C 13 28.906 0.3 . 1 . . . . . 92 GLU CB . 51240 1 439 . 1 . 1 92 92 GLU N N 15 117.057 0.3 . 1 . . . . . 92 GLU N . 51240 1 440 . 1 . 1 93 93 GLN H H 1 7.334 0.020 . 1 . . . . . 93 GLN H . 51240 1 441 . 1 . 1 93 93 GLN C C 13 181.547 0.3 . 1 . . . . . 93 GLN C . 51240 1 442 . 1 . 1 93 93 GLN CA C 13 58.459 0.3 . 1 . . . . . 93 GLN CA . 51240 1 443 . 1 . 1 93 93 GLN CB C 13 28.528 0.3 . 1 . . . . . 93 GLN CB . 51240 1 444 . 1 . 1 93 93 GLN N N 15 118.162 0.3 . 1 . . . . . 93 GLN N . 51240 1 445 . 1 . 1 94 94 LEU H H 1 7.855 0.020 . 1 . . . . . 94 LEU H . 51240 1 446 . 1 . 1 94 94 LEU C C 13 180.239 0.3 . 1 . . . . . 94 LEU C . 51240 1 447 . 1 . 1 94 94 LEU CA C 13 56.671 0.3 . 1 . . . . . 94 LEU CA . 51240 1 448 . 1 . 1 94 94 LEU CB C 13 42.604 0.3 . 1 . . . . . 94 LEU CB . 51240 1 449 . 1 . 1 94 94 LEU N N 15 119.657 0.3 . 1 . . . . . 94 LEU N . 51240 1 450 . 1 . 1 95 95 GLN H H 1 7.479 0.020 . 1 . . . . . 95 GLN H . 51240 1 451 . 1 . 1 95 95 GLN C C 13 178.253 0.3 . 1 . . . . . 95 GLN C . 51240 1 452 . 1 . 1 95 95 GLN CA C 13 58.643 0.3 . 1 . . . . . 95 GLN CA . 51240 1 453 . 1 . 1 95 95 GLN CB C 13 28.986 0.3 . 1 . . . . . 95 GLN CB . 51240 1 454 . 1 . 1 95 95 GLN N N 15 116.024 0.3 . 1 . . . . . 95 GLN N . 51240 1 455 . 1 . 1 96 96 SER H H 1 7.502 0.020 . 1 . . . . . 96 SER H . 51240 1 456 . 1 . 1 96 96 SER C C 13 176.682 0.3 . 1 . . . . . 96 SER C . 51240 1 457 . 1 . 1 96 96 SER CA C 13 57.084 0.3 . 1 . . . . . 96 SER CA . 51240 1 458 . 1 . 1 96 96 SER CB C 13 63.677 0.3 . 1 . . . . . 96 SER CB . 51240 1 459 . 1 . 1 96 96 SER N N 15 111.098 0.3 . 1 . . . . . 96 SER N . 51240 1 460 . 1 . 1 97 97 HIS H H 1 7.533 0.020 . 1 . . . . . 97 HIS H . 51240 1 461 . 1 . 1 97 97 HIS C C 13 177.289 0.3 . 1 . . . . . 97 HIS C . 51240 1 462 . 1 . 1 97 97 HIS CA C 13 59.560 0.3 . 1 . . . . . 97 HIS CA . 51240 1 463 . 1 . 1 97 97 HIS CB C 13 31.942 0.3 . 1 . . . . . 97 HIS CB . 51240 1 464 . 1 . 1 97 97 HIS N N 15 124.767 0.3 . 1 . . . . . 97 HIS N . 51240 1 465 . 1 . 1 98 98 GLU H H 1 7.901 0.020 . 1 . . . . . 98 GLU H . 51240 1 466 . 1 . 1 98 98 GLU C C 13 179.725 0.3 . 1 . . . . . 98 GLU C . 51240 1 467 . 1 . 1 98 98 GLU CA C 13 58.643 0.3 . 1 . . . . . 98 GLU CA . 51240 1 468 . 1 . 1 98 98 GLU CB C 13 29.504 0.3 . 1 . . . . . 98 GLU CB . 51240 1 469 . 1 . 1 98 98 GLU N N 15 123.783 0.3 . 1 . . . . . 98 GLU N . 51240 1 470 . 1 . 1 99 99 ASN H H 1 11.296 0.020 . 1 . . . . . 99 ASN H . 51240 1 471 . 1 . 1 99 99 ASN C C 13 178.763 0.3 . 1 . . . . . 99 ASN C . 51240 1 472 . 1 . 1 99 99 ASN CA C 13 53.338 0.3 . 1 . . . . . 99 ASN CA . 51240 1 473 . 1 . 1 99 99 ASN CB C 13 39.053 0.3 . 1 . . . . . 99 ASN CB . 51240 1 474 . 1 . 1 99 99 ASN N N 15 124.344 0.3 . 1 . . . . . 99 ASN N . 51240 1 475 . 1 . 1 100 100 GLU H H 1 8.933 0.020 . 1 . . . . . 100 GLU H . 51240 1 476 . 1 . 1 100 100 GLU C C 13 180.520 0.3 . 1 . . . . . 100 GLU C . 51240 1 477 . 1 . 1 100 100 GLU CA C 13 59.605 0.3 . 1 . . . . . 100 GLU CA . 51240 1 478 . 1 . 1 100 100 GLU CB C 13 29.571 0.3 . 1 . . . . . 100 GLU CB . 51240 1 479 . 1 . 1 100 100 GLU N N 15 127.731 0.3 . 1 . . . . . 100 GLU N . 51240 1 480 . 1 . 1 101 101 LYS H H 1 8.084 0.020 . 1 . . . . . 101 LYS H . 51240 1 481 . 1 . 1 101 101 LYS C C 13 181.887 0.3 . 1 . . . . . 101 LYS C . 51240 1 482 . 1 . 1 101 101 LYS CA C 13 59.434 0.3 . 1 . . . . . 101 LYS CA . 51240 1 483 . 1 . 1 101 101 LYS CB C 13 31.900 0.3 . 1 . . . . . 101 LYS CB . 51240 1 484 . 1 . 1 101 101 LYS N N 15 119.274 0.3 . 1 . . . . . 101 LYS N . 51240 1 485 . 1 . 1 102 102 ILE H H 1 7.218 0.020 . 1 . . . . . 102 ILE H . 51240 1 486 . 1 . 1 102 102 ILE C C 13 179.817 0.3 . 1 . . . . . 102 ILE C . 51240 1 487 . 1 . 1 102 102 ILE CA C 13 64.190 0.3 . 1 . . . . . 102 ILE CA . 51240 1 488 . 1 . 1 102 102 ILE CB C 13 36.629 0.3 . 1 . . . . . 102 ILE CB . 51240 1 489 . 1 . 1 102 102 ILE N N 15 120.056 0.3 . 1 . . . . . 102 ILE N . 51240 1 490 . 1 . 1 103 103 GLN H H 1 8.093 0.020 . 1 . . . . . 103 GLN H . 51240 1 491 . 1 . 1 103 103 GLN C C 13 181.632 0.3 . 1 . . . . . 103 GLN C . 51240 1 492 . 1 . 1 103 103 GLN CA C 13 59.671 0.3 . 1 . . . . . 103 GLN CA . 51240 1 493 . 1 . 1 103 103 GLN CB C 13 28.699 0.3 . 1 . . . . . 103 GLN CB . 51240 1 494 . 1 . 1 103 103 GLN N N 15 118.227 0.3 . 1 . . . . . 103 GLN N . 51240 1 495 . 1 . 1 104 104 LYS H H 1 7.817 0.020 . 1 . . . . . 104 LYS H . 51240 1 496 . 1 . 1 104 104 LYS C C 13 182.127 0.3 . 1 . . . . . 104 LYS C . 51240 1 497 . 1 . 1 104 104 LYS CA C 13 59.137 0.3 . 1 . . . . . 104 LYS CA . 51240 1 498 . 1 . 1 104 104 LYS CB C 13 32.302 0.3 . 1 . . . . . 104 LYS CB . 51240 1 499 . 1 . 1 104 104 LYS N N 15 117.431 0.3 . 1 . . . . . 104 LYS N . 51240 1 500 . 1 . 1 105 105 GLU H H 1 8.032 0.020 . 1 . . . . . 105 GLU H . 51240 1 501 . 1 . 1 105 105 GLU C C 13 182.070 0.3 . 1 . . . . . 105 GLU C . 51240 1 502 . 1 . 1 105 105 GLU CA C 13 58.954 0.3 . 1 . . . . . 105 GLU CA . 51240 1 503 . 1 . 1 105 105 GLU CB C 13 29.459 0.3 . 1 . . . . . 105 GLU CB . 51240 1 504 . 1 . 1 105 105 GLU N N 15 119.362 0.3 . 1 . . . . . 105 GLU N . 51240 1 505 . 1 . 1 106 106 ALA H H 1 8.813 0.020 . 1 . . . . . 106 ALA H . 51240 1 506 . 1 . 1 106 106 ALA C C 13 181.631 0.3 . 1 . . . . . 106 ALA C . 51240 1 507 . 1 . 1 106 106 ALA CA C 13 55.469 0.3 . 1 . . . . . 106 ALA CA . 51240 1 508 . 1 . 1 106 106 ALA CB C 13 18.199 0.3 . 1 . . . . . 106 ALA CB . 51240 1 509 . 1 . 1 106 106 ALA N N 15 122.279 0.3 . 1 . . . . . 106 ALA N . 51240 1 510 . 1 . 1 107 107 GLN H H 1 8.199 0.020 . 1 . . . . . 107 GLN H . 51240 1 511 . 1 . 1 107 107 GLN C C 13 181.246 0.3 . 1 . . . . . 107 GLN C . 51240 1 512 . 1 . 1 107 107 GLN CA C 13 59.433 0.3 . 1 . . . . . 107 GLN CA . 51240 1 513 . 1 . 1 107 107 GLN CB C 13 28.233 0.3 . 1 . . . . . 107 GLN CB . 51240 1 514 . 1 . 1 107 107 GLN N N 15 117.958 0.3 . 1 . . . . . 107 GLN N . 51240 1 515 . 1 . 1 108 108 GLU H H 1 8.205 0.020 . 1 . . . . . 108 GLU H . 51240 1 516 . 1 . 1 108 108 GLU C C 13 181.687 0.3 . 1 . . . . . 108 GLU C . 51240 1 517 . 1 . 1 108 108 GLU CA C 13 59.468 0.3 . 1 . . . . . 108 GLU CA . 51240 1 518 . 1 . 1 108 108 GLU CB C 13 29.408 0.3 . 1 . . . . . 108 GLU CB . 51240 1 519 . 1 . 1 108 108 GLU N N 15 119.307 0.3 . 1 . . . . . 108 GLU N . 51240 1 520 . 1 . 1 109 109 ALA H H 1 7.981 0.020 . 1 . . . . . 109 ALA H . 51240 1 521 . 1 . 1 109 109 ALA C C 13 181.464 0.3 . 1 . . . . . 109 ALA C . 51240 1 522 . 1 . 1 109 109 ALA CA C 13 55.455 0.3 . 1 . . . . . 109 ALA CA . 51240 1 523 . 1 . 1 109 109 ALA CB C 13 17.717 0.3 . 1 . . . . . 109 ALA CB . 51240 1 524 . 1 . 1 109 109 ALA N N 15 121.327 0.3 . 1 . . . . . 109 ALA N . 51240 1 525 . 1 . 1 110 110 LEU H H 1 8.183 0.020 . 1 . . . . . 110 LEU H . 51240 1 526 . 1 . 1 110 110 LEU C C 13 181.793 0.3 . 1 . . . . . 110 LEU C . 51240 1 527 . 1 . 1 110 110 LEU CA C 13 58.551 0.3 . 1 . . . . . 110 LEU CA . 51240 1 528 . 1 . 1 110 110 LEU CB C 13 42.038 0.3 . 1 . . . . . 110 LEU CB . 51240 1 529 . 1 . 1 110 110 LEU N N 15 117.986 0.3 . 1 . . . . . 110 LEU N . 51240 1 530 . 1 . 1 111 111 GLU H H 1 8.104 0.020 . 1 . . . . . 111 GLU H . 51240 1 531 . 1 . 1 111 111 GLU C C 13 182.533 0.3 . 1 . . . . . 111 GLU C . 51240 1 532 . 1 . 1 111 111 GLU CA C 13 59.443 0.3 . 1 . . . . . 111 GLU CA . 51240 1 533 . 1 . 1 111 111 GLU CB C 13 28.906 0.3 . 1 . . . . . 111 GLU CB . 51240 1 534 . 1 . 1 111 111 GLU N N 15 118.513 0.3 . 1 . . . . . 111 GLU N . 51240 1 535 . 1 . 1 112 112 LYS H H 1 7.708 0.020 . 1 . . . . . 112 LYS H . 51240 1 536 . 1 . 1 112 112 LYS C C 13 181.494 0.3 . 1 . . . . . 112 LYS C . 51240 1 537 . 1 . 1 112 112 LYS CA C 13 59.376 0.3 . 1 . . . . . 112 LYS CA . 51240 1 538 . 1 . 1 112 112 LYS CB C 13 33.142 0.3 . 1 . . . . . 112 LYS CB . 51240 1 539 . 1 . 1 112 112 LYS N N 15 118.435 0.3 . 1 . . . . . 112 LYS N . 51240 1 540 . 1 . 1 113 113 LEU H H 1 7.751 0.020 . 1 . . . . . 113 LEU H . 51240 1 541 . 1 . 1 113 113 LEU C C 13 179.637 0.3 . 1 . . . . . 113 LEU C . 51240 1 542 . 1 . 1 113 113 LEU CA C 13 56.442 0.3 . 1 . . . . . 113 LEU CA . 51240 1 543 . 1 . 1 113 113 LEU CB C 13 42.955 0.3 . 1 . . . . . 113 LEU CB . 51240 1 544 . 1 . 1 113 113 LEU N N 15 116.992 0.3 . 1 . . . . . 113 LEU N . 51240 1 545 . 1 . 1 114 114 GLN H H 1 7.650 0.020 . 1 . . . . . 114 GLN H . 51240 1 546 . 1 . 1 114 114 GLN C C 13 178.573 0.3 . 1 . . . . . 114 GLN C . 51240 1 547 . 1 . 1 114 114 GLN CA C 13 55.846 0.3 . 1 . . . . . 114 GLN CA . 51240 1 548 . 1 . 1 114 114 GLN CB C 13 29.660 0.3 . 1 . . . . . 114 GLN CB . 51240 1 549 . 1 . 1 114 114 GLN N N 15 116.280 0.3 . 1 . . . . . 114 GLN N . 51240 1 550 . 1 . 1 115 115 SER H H 1 7.751 0.020 . 1 . . . . . 115 SER H . 51240 1 551 . 1 . 1 115 115 SER C C 13 176.194 0.3 . 1 . . . . . 115 SER C . 51240 1 552 . 1 . 1 115 115 SER CA C 13 58.780 0.3 . 1 . . . . . 115 SER CA . 51240 1 553 . 1 . 1 115 115 SER CB C 13 64.043 0.3 . 1 . . . . . 115 SER CB . 51240 1 554 . 1 . 1 115 115 SER N N 15 116.553 0.3 . 1 . . . . . 115 SER N . 51240 1 555 . 1 . 1 116 116 HIS H H 1 8.121 0.020 . 1 . . . . . 116 HIS H . 51240 1 556 . 1 . 1 116 116 HIS C C 13 181.535 0.3 . 1 . . . . . 116 HIS C . 51240 1 557 . 1 . 1 116 116 HIS CA C 13 56.946 0.3 . 1 . . . . . 116 HIS CA . 51240 1 558 . 1 . 1 116 116 HIS CB C 13 29.933 0.3 . 1 . . . . . 116 HIS CB . 51240 1 559 . 1 . 1 116 116 HIS N N 15 125.043 0.3 . 1 . . . . . 116 HIS N . 51240 1 stop_ save_