data_50328 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50328 _Entry.Title ; BBP28 reduced 23-148 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-06-16 _Entry.Accession_date 2020-06-16 _Entry.Last_release_date 2020-06-16 _Entry.Original_release_date 2020-06-16 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 J. Fridmanis . . . . 50328 2 M. Otikovs . . . . 50328 3 K. Brangulis . . . . 50328 4 K. Jaudzems . . . . 50328 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50328 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 322 50328 '15N chemical shifts' 106 50328 '1H chemical shifts' 106 50328 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 . . 2021-04-12 2020-06-16 update BMRB 'update entry citation' 50328 1 . . 2020-11-03 2020-06-16 original author 'original release' 50328 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6QBI . 50328 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50328 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32949018 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Solution NMR structure of Borrelia burgdorferi outer surface lipoprotein BBP28, a member of the mlp protein family ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proteins: Struct. Funct. Bioinf.' _Citation.Journal_name_full . _Citation.Journal_volume 89 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 588 _Citation.Page_last 594 _Citation.Year 2021 _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 Jekabs Fridmanis J. . . . 50328 1 2 Martins Otikovs M. . . . 50328 1 3 Kalvis Brangulis K. . . . 50328 1 4 Kaspars Tars K. . . . 50328 1 5 Kristaps Jaudzems K. . . . 50328 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50328 _Assembly.ID 1 _Assembly.Name 'Surface protein, mlp lipoprotein family' _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 entity_1 1 $entity_1 . . yes native no no . . . 50328 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50328 _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 ; GAMGNDTLKNNAQQTKSRGK RDLTQKEATPEKPKSKEELL REKLSEDQKTHLDWLKEALG NDGEFDKFLGYDESKIKTAL DHIKSELDKCNGNDADQQKT TFKQTVQGALSGGIDGFGSN NAVTTCGNGS ; _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 yes _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 130 _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 14205.61 _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 . 50328 1 2 . ALA . 50328 1 3 . MET . 50328 1 4 . GLY . 50328 1 5 . ASN . 50328 1 6 . ASP . 50328 1 7 . THR . 50328 1 8 . LEU . 50328 1 9 . LYS . 50328 1 10 . ASN . 50328 1 11 . ASN . 50328 1 12 . ALA . 50328 1 13 . GLN . 50328 1 14 . GLN . 50328 1 15 . THR . 50328 1 16 . LYS . 50328 1 17 . SER . 50328 1 18 . ARG . 50328 1 19 . GLY . 50328 1 20 . LYS . 50328 1 21 . ARG . 50328 1 22 . ASP . 50328 1 23 . LEU . 50328 1 24 . THR . 50328 1 25 . GLN . 50328 1 26 . LYS . 50328 1 27 . GLU . 50328 1 28 . ALA . 50328 1 29 . THR . 50328 1 30 . PRO . 50328 1 31 . GLU . 50328 1 32 . LYS . 50328 1 33 . PRO . 50328 1 34 . LYS . 50328 1 35 . SER . 50328 1 36 . LYS . 50328 1 37 . GLU . 50328 1 38 . GLU . 50328 1 39 . LEU . 50328 1 40 . LEU . 50328 1 41 . ARG . 50328 1 42 . GLU . 50328 1 43 . LYS . 50328 1 44 . LEU . 50328 1 45 . SER . 50328 1 46 . GLU . 50328 1 47 . ASP . 50328 1 48 . GLN . 50328 1 49 . LYS . 50328 1 50 . THR . 50328 1 51 . HIS . 50328 1 52 . LEU . 50328 1 53 . ASP . 50328 1 54 . TRP . 50328 1 55 . LEU . 50328 1 56 . LYS . 50328 1 57 . GLU . 50328 1 58 . ALA . 50328 1 59 . LEU . 50328 1 60 . GLY . 50328 1 61 . ASN . 50328 1 62 . ASP . 50328 1 63 . GLY . 50328 1 64 . GLU . 50328 1 65 . PHE . 50328 1 66 . ASP . 50328 1 67 . LYS . 50328 1 68 . PHE . 50328 1 69 . LEU . 50328 1 70 . GLY . 50328 1 71 . TYR . 50328 1 72 . ASP . 50328 1 73 . GLU . 50328 1 74 . SER . 50328 1 75 . LYS . 50328 1 76 . ILE . 50328 1 77 . LYS . 50328 1 78 . THR . 50328 1 79 . ALA . 50328 1 80 . LEU . 50328 1 81 . ASP . 50328 1 82 . HIS . 50328 1 83 . ILE . 50328 1 84 . LYS . 50328 1 85 . SER . 50328 1 86 . GLU . 50328 1 87 . LEU . 50328 1 88 . ASP . 50328 1 89 . LYS . 50328 1 90 . CYS . 50328 1 91 . ASN . 50328 1 92 . GLY . 50328 1 93 . ASN . 50328 1 94 . ASP . 50328 1 95 . ALA . 50328 1 96 . ASP . 50328 1 97 . GLN . 50328 1 98 . GLN . 50328 1 99 . LYS . 50328 1 100 . THR . 50328 1 101 . THR . 50328 1 102 . PHE . 50328 1 103 . LYS . 50328 1 104 . GLN . 50328 1 105 . THR . 50328 1 106 . VAL . 50328 1 107 . GLN . 50328 1 108 . GLY . 50328 1 109 . ALA . 50328 1 110 . LEU . 50328 1 111 . SER . 50328 1 112 . GLY . 50328 1 113 . GLY . 50328 1 114 . ILE . 50328 1 115 . ASP . 50328 1 116 . GLY . 50328 1 117 . PHE . 50328 1 118 . GLY . 50328 1 119 . SER . 50328 1 120 . ASN . 50328 1 121 . ASN . 50328 1 122 . ALA . 50328 1 123 . VAL . 50328 1 124 . THR . 50328 1 125 . THR . 50328 1 126 . CYS . 50328 1 127 . GLY . 50328 1 128 . ASN . 50328 1 129 . GLY . 50328 1 130 . SER . 50328 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 50328 1 . ALA 2 2 50328 1 . MET 3 3 50328 1 . GLY 4 4 50328 1 . ASN 5 5 50328 1 . ASP 6 6 50328 1 . THR 7 7 50328 1 . LEU 8 8 50328 1 . LYS 9 9 50328 1 . ASN 10 10 50328 1 . ASN 11 11 50328 1 . ALA 12 12 50328 1 . GLN 13 13 50328 1 . GLN 14 14 50328 1 . THR 15 15 50328 1 . LYS 16 16 50328 1 . SER 17 17 50328 1 . ARG 18 18 50328 1 . GLY 19 19 50328 1 . LYS 20 20 50328 1 . ARG 21 21 50328 1 . ASP 22 22 50328 1 . LEU 23 23 50328 1 . THR 24 24 50328 1 . GLN 25 25 50328 1 . LYS 26 26 50328 1 . GLU 27 27 50328 1 . ALA 28 28 50328 1 . THR 29 29 50328 1 . PRO 30 30 50328 1 . GLU 31 31 50328 1 . LYS 32 32 50328 1 . PRO 33 33 50328 1 . LYS 34 34 50328 1 . SER 35 35 50328 1 . LYS 36 36 50328 1 . GLU 37 37 50328 1 . GLU 38 38 50328 1 . LEU 39 39 50328 1 . LEU 40 40 50328 1 . ARG 41 41 50328 1 . GLU 42 42 50328 1 . LYS 43 43 50328 1 . LEU 44 44 50328 1 . SER 45 45 50328 1 . GLU 46 46 50328 1 . ASP 47 47 50328 1 . GLN 48 48 50328 1 . LYS 49 49 50328 1 . THR 50 50 50328 1 . HIS 51 51 50328 1 . LEU 52 52 50328 1 . ASP 53 53 50328 1 . TRP 54 54 50328 1 . LEU 55 55 50328 1 . LYS 56 56 50328 1 . GLU 57 57 50328 1 . ALA 58 58 50328 1 . LEU 59 59 50328 1 . GLY 60 60 50328 1 . ASN 61 61 50328 1 . ASP 62 62 50328 1 . GLY 63 63 50328 1 . GLU 64 64 50328 1 . PHE 65 65 50328 1 . ASP 66 66 50328 1 . LYS 67 67 50328 1 . PHE 68 68 50328 1 . LEU 69 69 50328 1 . GLY 70 70 50328 1 . TYR 71 71 50328 1 . ASP 72 72 50328 1 . GLU 73 73 50328 1 . SER 74 74 50328 1 . LYS 75 75 50328 1 . ILE 76 76 50328 1 . LYS 77 77 50328 1 . THR 78 78 50328 1 . ALA 79 79 50328 1 . LEU 80 80 50328 1 . ASP 81 81 50328 1 . HIS 82 82 50328 1 . ILE 83 83 50328 1 . LYS 84 84 50328 1 . SER 85 85 50328 1 . GLU 86 86 50328 1 . LEU 87 87 50328 1 . ASP 88 88 50328 1 . LYS 89 89 50328 1 . CYS 90 90 50328 1 . ASN 91 91 50328 1 . GLY 92 92 50328 1 . ASN 93 93 50328 1 . ASP 94 94 50328 1 . ALA 95 95 50328 1 . ASP 96 96 50328 1 . GLN 97 97 50328 1 . GLN 98 98 50328 1 . LYS 99 99 50328 1 . THR 100 100 50328 1 . THR 101 101 50328 1 . PHE 102 102 50328 1 . LYS 103 103 50328 1 . GLN 104 104 50328 1 . THR 105 105 50328 1 . VAL 106 106 50328 1 . GLN 107 107 50328 1 . GLY 108 108 50328 1 . ALA 109 109 50328 1 . LEU 110 110 50328 1 . SER 111 111 50328 1 . GLY 112 112 50328 1 . GLY 113 113 50328 1 . ILE 114 114 50328 1 . ASP 115 115 50328 1 . GLY 116 116 50328 1 . PHE 117 117 50328 1 . GLY 118 118 50328 1 . SER 119 119 50328 1 . ASN 120 120 50328 1 . ASN 121 121 50328 1 . ALA 122 122 50328 1 . VAL 123 123 50328 1 . THR 124 124 50328 1 . THR 125 125 50328 1 . CYS 126 126 50328 1 . GLY 127 127 50328 1 . ASN 128 128 50328 1 . GLY 129 129 50328 1 . SER 130 130 50328 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 50328 _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 . 139 organism . 'Borrelia burgdorferi (strain ATCC 35210 / B31 / CIP 102532 / DSM 4680)' 'Borrelia burgdorferi' . . Bacteria . Borrelia burgdorferi 'ATCC 35210 / B31 / CIP 102532 / DSM 4680' . . . . . . . . . . 'mlpA, BB_P28' . 50328 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 50328 _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 BL21(DE3)' . . . . . . . . plasmid . . pETM11 . . . 50328 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50328 _Sample.ID 1 _Sample.Name 'BBP28(23-148) reduced' _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM sodium phosphate, 50 mM sodium chloride, 0.03 % w/v sodium azide, 1 mM EDTA, 2 mM U-C13, N15 BB_P28, 93% H2O/7% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM 1 . . . 50328 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 1 . . . 50328 1 3 'sodium azide' 'natural abundance' . . . . . . 0.03 . . '% w/v' 0.0001 . . . 50328 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM 0.01 . . . 50328 1 5 BB_P28 '[U-13C; U-15N]' . . 1 $entity_1 . . 2 . . mM 0.1 . . . 50328 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 50328 _Sample_condition_list.ID 1 _Sample_condition_list.Name Standart _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' 0.08 0.01 M 50328 1 pH 6.8 0.1 pH 50328 1 pressure 1 . atm 50328 1 temperature 298 0.1 K 50328 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50328 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version 1.8.4 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50328 1 'peak picking' . 50328 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50328 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50328 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 50328 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '600 MHz Varian Unity 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _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 50328 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50328 1 2 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50328 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50328 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50328 1 5 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50328 1 6 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50328 1 7 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50328 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50328 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 50328 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Standart _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 4.77 external indirect . . . . . . 50328 1 H 1 water protons . . . . ppm 4.77 internal direct 1 . . . . . 50328 1 N 15 water protons . . . . ppm 4.77 external indirect . . . . . . 50328 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 50328 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'BBP28(23-148) reduced' _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 3 '3D 1H-15N NOESY' . . . 50328 1 4 '3D HNCO' . . . 50328 1 5 '3D HNCA' . . . 50328 1 6 '3D HN(CO)CA' . . . 50328 1 7 '3D HNCACB' . . . 50328 1 8 '3D CBCA(CO)NH' . . . 50328 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 . . 50328 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 MET H H 1 8.541 0.020 . 1 . . . . . 3 MET H . 50328 1 2 . 1 . 1 3 3 MET C C 13 176.617 0.3 . 1 . . . . . 3 MET C . 50328 1 3 . 1 . 1 3 3 MET CA C 13 55.721 0.3 . 1 . . . . . 3 MET CA . 50328 1 4 . 1 . 1 3 3 MET CB C 13 32.994 0.3 . 1 . . . . . 3 MET CB . 50328 1 5 . 1 . 1 3 3 MET N N 15 119.599 0.3 . 1 . . . . . 3 MET N . 50328 1 6 . 1 . 1 4 4 GLY H H 1 8.393 0.020 . 1 . . . . . 4 GLY H . 50328 1 7 . 1 . 1 4 4 GLY C C 13 173.987 0.3 . 1 . . . . . 4 GLY C . 50328 1 8 . 1 . 1 4 4 GLY CA C 13 45.481 0.3 . 1 . . . . . 4 GLY CA . 50328 1 9 . 1 . 1 4 4 GLY N N 15 109.936 0.3 . 1 . . . . . 4 GLY N . 50328 1 10 . 1 . 1 5 5 ASN CA C 13 53.580 0.3 . 1 . . . . . 5 ASN CA . 50328 1 11 . 1 . 1 5 5 ASN CB C 13 38.900 0.3 . 1 . . . . . 5 ASN CB . 50328 1 12 . 1 . 1 6 6 ASP H H 1 8.461 0.020 . 1 . . . . . 6 ASP H . 50328 1 13 . 1 . 1 6 6 ASP C C 13 176.671 0.3 . 1 . . . . . 6 ASP C . 50328 1 14 . 1 . 1 6 6 ASP CA C 13 54.952 0.3 . 1 . . . . . 6 ASP CA . 50328 1 15 . 1 . 1 6 6 ASP CB C 13 41.125 0.3 . 1 . . . . . 6 ASP CB . 50328 1 16 . 1 . 1 6 6 ASP N N 15 120.846 0.3 . 1 . . . . . 6 ASP N . 50328 1 17 . 1 . 1 7 7 THR H H 1 8.082 0.020 . 1 . . . . . 7 THR H . 50328 1 18 . 1 . 1 7 7 THR C C 13 174.959 0.3 . 1 . . . . . 7 THR C . 50328 1 19 . 1 . 1 7 7 THR CA C 13 62.820 0.3 . 1 . . . . . 7 THR CA . 50328 1 20 . 1 . 1 7 7 THR CB C 13 69.585 0.3 . 1 . . . . . 7 THR CB . 50328 1 21 . 1 . 1 7 7 THR N N 15 114.134 0.3 . 1 . . . . . 7 THR N . 50328 1 22 . 1 . 1 8 8 LEU H H 1 8.112 0.020 . 1 . . . . . 8 LEU H . 50328 1 23 . 1 . 1 8 8 LEU C C 13 177.644 0.3 . 1 . . . . . 8 LEU C . 50328 1 24 . 1 . 1 8 8 LEU CA C 13 55.888 0.3 . 1 . . . . . 8 LEU CA . 50328 1 25 . 1 . 1 8 8 LEU CB C 13 41.997 0.3 . 1 . . . . . 8 LEU CB . 50328 1 26 . 1 . 1 8 8 LEU N N 15 123.493 0.3 . 1 . . . . . 8 LEU N . 50328 1 27 . 1 . 1 12 12 ALA CA C 13 53.450 0.3 . 1 . . . . . 12 ALA CA . 50328 1 28 . 1 . 1 12 12 ALA CB C 13 18.900 0.3 . 1 . . . . . 12 ALA CB . 50328 1 29 . 1 . 1 13 13 GLN H H 1 8.264 0.020 . 1 . . . . . 13 GLN H . 50328 1 30 . 1 . 1 13 13 GLN C C 13 176.365 0.3 . 1 . . . . . 13 GLN C . 50328 1 31 . 1 . 1 13 13 GLN CA C 13 56.492 0.3 . 1 . . . . . 13 GLN CA . 50328 1 32 . 1 . 1 13 13 GLN CB C 13 29.275 0.3 . 1 . . . . . 13 GLN CB . 50328 1 33 . 1 . 1 13 13 GLN N N 15 118.619 0.3 . 1 . . . . . 13 GLN N . 50328 1 34 . 1 . 1 14 14 GLN H H 1 8.321 0.020 . 1 . . . . . 14 GLN H . 50328 1 35 . 1 . 1 14 14 GLN C C 13 176.419 0.3 . 1 . . . . . 14 GLN C . 50328 1 36 . 1 . 1 14 14 GLN CA C 13 56.458 0.3 . 1 . . . . . 14 GLN CA . 50328 1 37 . 1 . 1 14 14 GLN CB C 13 29.031 0.3 . 1 . . . . . 14 GLN CB . 50328 1 38 . 1 . 1 14 14 GLN N N 15 120.965 0.3 . 1 . . . . . 14 GLN N . 50328 1 39 . 1 . 1 19 19 GLY CA C 13 45.440 0.3 . 1 . . . . . 19 GLY CA . 50328 1 40 . 1 . 1 20 20 LYS H H 1 8.211 0.020 . 1 . . . . . 20 LYS H . 50328 1 41 . 1 . 1 20 20 LYS C C 13 176.617 0.3 . 1 . . . . . 20 LYS C . 50328 1 42 . 1 . 1 20 20 LYS CA C 13 56.626 0.3 . 1 . . . . . 20 LYS CA . 50328 1 43 . 1 . 1 20 20 LYS CB C 13 33.204 0.3 . 1 . . . . . 20 LYS CB . 50328 1 44 . 1 . 1 20 20 LYS N N 15 121.104 0.3 . 1 . . . . . 20 LYS N . 50328 1 45 . 1 . 1 22 22 ASP CA C 13 54.360 0.3 . 1 . . . . . 22 ASP CA . 50328 1 46 . 1 . 1 22 22 ASP CB C 13 41.130 0.3 . 1 . . . . . 22 ASP CB . 50328 1 47 . 1 . 1 23 23 LEU H H 1 8.357 0.020 . 1 . . . . . 23 LEU H . 50328 1 48 . 1 . 1 23 23 LEU C C 13 177.806 0.3 . 1 . . . . . 23 LEU C . 50328 1 49 . 1 . 1 23 23 LEU CA C 13 55.779 0.3 . 1 . . . . . 23 LEU CA . 50328 1 50 . 1 . 1 23 23 LEU CB C 13 41.821 0.3 . 1 . . . . . 23 LEU CB . 50328 1 51 . 1 . 1 23 23 LEU N N 15 123.373 0.3 . 1 . . . . . 23 LEU N . 50328 1 52 . 1 . 1 24 24 THR H H 1 8.234 0.020 . 1 . . . . . 24 THR H . 50328 1 53 . 1 . 1 24 24 THR C C 13 174.725 0.3 . 1 . . . . . 24 THR C . 50328 1 54 . 1 . 1 24 24 THR CA C 13 62.552 0.3 . 1 . . . . . 24 THR CA . 50328 1 55 . 1 . 1 24 24 THR CB C 13 69.779 0.3 . 1 . . . . . 24 THR CB . 50328 1 56 . 1 . 1 24 24 THR N N 15 113.832 0.3 . 1 . . . . . 24 THR N . 50328 1 57 . 1 . 1 25 25 GLN H H 1 8.185 0.020 . 1 . . . . . 25 GLN H . 50328 1 58 . 1 . 1 25 25 GLN C C 13 175.806 0.3 . 1 . . . . . 25 GLN C . 50328 1 59 . 1 . 1 25 25 GLN CA C 13 56.055 0.3 . 1 . . . . . 25 GLN CA . 50328 1 60 . 1 . 1 25 25 GLN CB C 13 29.316 0.3 . 1 . . . . . 25 GLN CB . 50328 1 61 . 1 . 1 25 25 GLN N N 15 122.381 0.3 . 1 . . . . . 25 GLN N . 50328 1 62 . 1 . 1 26 26 LYS H H 1 8.349 0.020 . 1 . . . . . 26 LYS H . 50328 1 63 . 1 . 1 26 26 LYS C C 13 176.563 0.3 . 1 . . . . . 26 LYS C . 50328 1 64 . 1 . 1 26 26 LYS CA C 13 56.725 0.3 . 1 . . . . . 26 LYS CA . 50328 1 65 . 1 . 1 26 26 LYS CB C 13 33.215 0.3 . 1 . . . . . 26 LYS CB . 50328 1 66 . 1 . 1 26 26 LYS N N 15 123.125 0.3 . 1 . . . . . 26 LYS N . 50328 1 67 . 1 . 1 30 30 PRO CA C 13 63.440 0.3 . 1 . . . . . 30 PRO CA . 50328 1 68 . 1 . 1 30 30 PRO CB C 13 32.130 0.3 . 1 . . . . . 30 PRO CB . 50328 1 69 . 1 . 1 31 31 GLU H H 1 8.487 0.020 . 1 . . . . . 31 GLU H . 50328 1 70 . 1 . 1 31 31 GLU C C 13 176.221 0.3 . 1 . . . . . 31 GLU C . 50328 1 71 . 1 . 1 31 31 GLU CA C 13 56.693 0.3 . 1 . . . . . 31 GLU CA . 50328 1 72 . 1 . 1 31 31 GLU CB C 13 30.477 0.3 . 1 . . . . . 31 GLU CB . 50328 1 73 . 1 . 1 31 31 GLU N N 15 121.580 0.3 . 1 . . . . . 31 GLU N . 50328 1 74 . 1 . 1 32 32 LYS H H 1 8.343 0.020 . 1 . . . . . 32 LYS H . 50328 1 75 . 1 . 1 32 32 LYS C C 13 174.257 0.3 . 1 . . . . . 32 LYS C . 50328 1 76 . 1 . 1 32 32 LYS CA C 13 54.482 0.3 . 1 . . . . . 32 LYS CA . 50328 1 77 . 1 . 1 32 32 LYS CB C 13 32.801 0.3 . 1 . . . . . 32 LYS CB . 50328 1 78 . 1 . 1 32 32 LYS N N 15 124.212 0.3 . 1 . . . . . 32 LYS N . 50328 1 79 . 1 . 1 33 33 PRO CA C 13 63.140 0.3 . 1 . . . . . 33 PRO CA . 50328 1 80 . 1 . 1 33 33 PRO CB C 13 32.420 0.3 . 1 . . . . . 33 PRO CB . 50328 1 81 . 1 . 1 34 34 LYS H H 1 8.370 0.020 . 1 . . . . . 34 LYS H . 50328 1 82 . 1 . 1 34 34 LYS C C 13 176.581 0.3 . 1 . . . . . 34 LYS C . 50328 1 83 . 1 . 1 34 34 LYS CA C 13 56.369 0.3 . 1 . . . . . 34 LYS CA . 50328 1 84 . 1 . 1 34 34 LYS CB C 13 34.446 0.3 . 1 . . . . . 34 LYS CB . 50328 1 85 . 1 . 1 34 34 LYS N N 15 122.604 0.3 . 1 . . . . . 34 LYS N . 50328 1 86 . 1 . 1 35 35 SER H H 1 8.900 0.020 . 1 . . . . . 35 SER H . 50328 1 87 . 1 . 1 35 35 SER C C 13 174.347 0.3 . 1 . . . . . 35 SER C . 50328 1 88 . 1 . 1 35 35 SER CA C 13 57.262 0.3 . 1 . . . . . 35 SER CA . 50328 1 89 . 1 . 1 35 35 SER CB C 13 65.422 0.3 . 1 . . . . . 35 SER CB . 50328 1 90 . 1 . 1 35 35 SER N N 15 119.167 0.3 . 1 . . . . . 35 SER N . 50328 1 91 . 1 . 1 36 36 LYS H H 1 8.791 0.020 . 1 . . . . . 36 LYS H . 50328 1 92 . 1 . 1 36 36 LYS C C 13 179.626 0.3 . 1 . . . . . 36 LYS C . 50328 1 93 . 1 . 1 36 36 LYS CA C 13 60.209 0.3 . 1 . . . . . 36 LYS CA . 50328 1 94 . 1 . 1 36 36 LYS CB C 13 32.704 0.3 . 1 . . . . . 36 LYS CB . 50328 1 95 . 1 . 1 36 36 LYS N N 15 120.898 0.3 . 1 . . . . . 36 LYS N . 50328 1 96 . 1 . 1 37 37 GLU H H 1 8.767 0.020 . 1 . . . . . 37 GLU H . 50328 1 97 . 1 . 1 37 37 GLU C C 13 177.626 0.3 . 1 . . . . . 37 GLU C . 50328 1 98 . 1 . 1 37 37 GLU CA C 13 58.735 0.3 . 1 . . . . . 37 GLU CA . 50328 1 99 . 1 . 1 37 37 GLU CB C 13 29.800 0.3 . 1 . . . . . 37 GLU CB . 50328 1 100 . 1 . 1 37 37 GLU N N 15 119.602 0.3 . 1 . . . . . 37 GLU N . 50328 1 101 . 1 . 1 38 38 GLU H H 1 7.944 0.020 . 1 . . . . . 38 GLU H . 50328 1 102 . 1 . 1 38 38 GLU C C 13 179.607 0.3 . 1 . . . . . 38 GLU C . 50328 1 103 . 1 . 1 38 38 GLU CA C 13 60.073 0.3 . 1 . . . . . 38 GLU CA . 50328 1 104 . 1 . 1 38 38 GLU CB C 13 29.968 0.3 . 1 . . . . . 38 GLU CB . 50328 1 105 . 1 . 1 38 38 GLU N N 15 120.183 0.3 . 1 . . . . . 38 GLU N . 50328 1 106 . 1 . 1 39 39 LEU H H 1 8.321 0.020 . 1 . . . . . 39 LEU H . 50328 1 107 . 1 . 1 39 39 LEU C C 13 175.122 0.3 . 1 . . . . . 39 LEU C . 50328 1 108 . 1 . 1 39 39 LEU CA C 13 57.865 0.3 . 1 . . . . . 39 LEU CA . 50328 1 109 . 1 . 1 39 39 LEU CB C 13 42.145 0.3 . 1 . . . . . 39 LEU CB . 50328 1 110 . 1 . 1 39 39 LEU N N 15 119.104 0.3 . 1 . . . . . 39 LEU N . 50328 1 111 . 1 . 1 40 40 LEU CA C 13 57.770 0.3 . 1 . . . . . 40 LEU CA . 50328 1 112 . 1 . 1 40 40 LEU CB C 13 41.030 0.3 . 1 . . . . . 40 LEU CB . 50328 1 113 . 1 . 1 41 41 ARG H H 1 8.428 0.020 . 1 . . . . . 41 ARG H . 50328 1 114 . 1 . 1 41 41 ARG C C 13 178.148 0.3 . 1 . . . . . 41 ARG C . 50328 1 115 . 1 . 1 41 41 ARG CA C 13 60.979 0.3 . 1 . . . . . 41 ARG CA . 50328 1 116 . 1 . 1 41 41 ARG CB C 13 30.580 0.3 . 1 . . . . . 41 ARG CB . 50328 1 117 . 1 . 1 41 41 ARG N N 15 117.013 0.3 . 1 . . . . . 41 ARG N . 50328 1 118 . 1 . 1 42 42 GLU H H 1 7.290 0.020 . 1 . . . . . 42 GLU H . 50328 1 119 . 1 . 1 42 42 GLU C C 13 177.734 0.3 . 1 . . . . . 42 GLU C . 50328 1 120 . 1 . 1 42 42 GLU CA C 13 58.836 0.3 . 1 . . . . . 42 GLU CA . 50328 1 121 . 1 . 1 42 42 GLU CB C 13 29.993 0.3 . 1 . . . . . 42 GLU CB . 50328 1 122 . 1 . 1 42 42 GLU N N 15 114.916 0.3 . 1 . . . . . 42 GLU N . 50328 1 123 . 1 . 1 43 43 LYS H H 1 7.983 0.020 . 1 . . . . . 43 LYS H . 50328 1 124 . 1 . 1 43 43 LYS C C 13 176.221 0.3 . 1 . . . . . 43 LYS C . 50328 1 125 . 1 . 1 43 43 LYS CA C 13 55.856 0.3 . 1 . . . . . 43 LYS CA . 50328 1 126 . 1 . 1 43 43 LYS CB C 13 33.188 0.3 . 1 . . . . . 43 LYS CB . 50328 1 127 . 1 . 1 43 43 LYS N N 15 116.584 0.3 . 1 . . . . . 43 LYS N . 50328 1 128 . 1 . 1 44 44 LEU H H 1 7.188 0.020 . 1 . . . . . 44 LEU H . 50328 1 129 . 1 . 1 44 44 LEU C C 13 177.103 0.3 . 1 . . . . . 44 LEU C . 50328 1 130 . 1 . 1 44 44 LEU CA C 13 53.847 0.3 . 1 . . . . . 44 LEU CA . 50328 1 131 . 1 . 1 44 44 LEU CB C 13 43.642 0.3 . 1 . . . . . 44 LEU CB . 50328 1 132 . 1 . 1 44 44 LEU N N 15 118.351 0.3 . 1 . . . . . 44 LEU N . 50328 1 133 . 1 . 1 45 45 SER H H 1 8.884 0.020 . 1 . . . . . 45 SER H . 50328 1 134 . 1 . 1 45 45 SER C C 13 174.978 0.3 . 1 . . . . . 45 SER C . 50328 1 135 . 1 . 1 45 45 SER CA C 13 57.162 0.3 . 1 . . . . . 45 SER CA . 50328 1 136 . 1 . 1 45 45 SER CB C 13 65.325 0.3 . 1 . . . . . 45 SER CB . 50328 1 137 . 1 . 1 45 45 SER N N 15 117.185 0.3 . 1 . . . . . 45 SER N . 50328 1 138 . 1 . 1 46 46 GLU H H 1 9.007 0.020 . 1 . . . . . 46 GLU H . 50328 1 139 . 1 . 1 46 46 GLU C C 13 179.320 0.3 . 1 . . . . . 46 GLU C . 50328 1 140 . 1 . 1 46 46 GLU CA C 13 60.510 0.3 . 1 . . . . . 46 GLU CA . 50328 1 141 . 1 . 1 46 46 GLU CB C 13 29.025 0.3 . 1 . . . . . 46 GLU CB . 50328 1 142 . 1 . 1 46 46 GLU N N 15 120.670 0.3 . 1 . . . . . 46 GLU N . 50328 1 143 . 1 . 1 47 47 ASP H H 1 8.615 0.020 . 1 . . . . . 47 ASP H . 50328 1 144 . 1 . 1 47 47 ASP C C 13 179.355 0.3 . 1 . . . . . 47 ASP C . 50328 1 145 . 1 . 1 47 47 ASP CA C 13 57.630 0.3 . 1 . . . . . 47 ASP CA . 50328 1 146 . 1 . 1 47 47 ASP CB C 13 40.835 0.3 . 1 . . . . . 47 ASP CB . 50328 1 147 . 1 . 1 47 47 ASP N N 15 117.847 0.3 . 1 . . . . . 47 ASP N . 50328 1 148 . 1 . 1 48 48 GLN H H 1 7.897 0.020 . 1 . . . . . 48 GLN H . 50328 1 149 . 1 . 1 48 48 GLN C C 13 178.796 0.3 . 1 . . . . . 48 GLN C . 50328 1 150 . 1 . 1 48 48 GLN CA C 13 58.834 0.3 . 1 . . . . . 48 GLN CA . 50328 1 151 . 1 . 1 48 48 GLN CB C 13 28.741 0.3 . 1 . . . . . 48 GLN CB . 50328 1 152 . 1 . 1 48 48 GLN N N 15 120.962 0.3 . 1 . . . . . 48 GLN N . 50328 1 153 . 1 . 1 49 49 LYS H H 1 8.697 0.020 . 1 . . . . . 49 LYS H . 50328 1 154 . 1 . 1 49 49 LYS C C 13 178.509 0.3 . 1 . . . . . 49 LYS C . 50328 1 155 . 1 . 1 49 49 LYS CA C 13 61.447 0.3 . 1 . . . . . 49 LYS CA . 50328 1 156 . 1 . 1 49 49 LYS CB C 13 32.607 0.3 . 1 . . . . . 49 LYS CB . 50328 1 157 . 1 . 1 49 49 LYS N N 15 120.795 0.3 . 1 . . . . . 49 LYS N . 50328 1 158 . 1 . 1 50 50 THR H H 1 7.893 0.020 . 1 . . . . . 50 THR H . 50328 1 159 . 1 . 1 50 50 THR C C 13 177.337 0.3 . 1 . . . . . 50 THR C . 50328 1 160 . 1 . 1 50 50 THR CA C 13 66.135 0.3 . 1 . . . . . 50 THR CA . 50328 1 161 . 1 . 1 50 50 THR CB C 13 68.714 0.3 . 1 . . . . . 50 THR CB . 50328 1 162 . 1 . 1 50 50 THR N N 15 115.606 0.3 . 1 . . . . . 50 THR N . 50328 1 163 . 1 . 1 51 51 HIS H H 1 7.900 0.020 . 1 . . . . . 51 HIS H . 50328 1 164 . 1 . 1 51 51 HIS C C 13 175.950 0.3 . 1 . . . . . 51 HIS C . 50328 1 165 . 1 . 1 51 51 HIS CA C 13 62.452 0.3 . 1 . . . . . 51 HIS CA . 50328 1 166 . 1 . 1 51 51 HIS CB C 13 28.735 0.3 . 1 . . . . . 51 HIS CB . 50328 1 167 . 1 . 1 51 51 HIS N N 15 120.626 0.3 . 1 . . . . . 51 HIS N . 50328 1 168 . 1 . 1 52 52 LEU H H 1 8.927 0.020 . 1 . . . . . 52 LEU H . 50328 1 169 . 1 . 1 52 52 LEU C C 13 178.508 0.3 . 1 . . . . . 52 LEU C . 50328 1 170 . 1 . 1 52 52 LEU CA C 13 58.147 0.3 . 1 . . . . . 52 LEU CA . 50328 1 171 . 1 . 1 52 52 LEU CB C 13 41.125 0.3 . 1 . . . . . 52 LEU CB . 50328 1 172 . 1 . 1 52 52 LEU N N 15 126.565 0.3 . 1 . . . . . 52 LEU N . 50328 1 173 . 1 . 1 53 53 ASP H H 1 7.929 0.020 . 1 . . . . . 53 ASP H . 50328 1 174 . 1 . 1 53 53 ASP C C 13 179.175 0.3 . 1 . . . . . 53 ASP C . 50328 1 175 . 1 . 1 53 53 ASP CA C 13 57.930 0.3 . 1 . . . . . 53 ASP CA . 50328 1 176 . 1 . 1 53 53 ASP CB C 13 39.825 0.3 . 1 . . . . . 53 ASP CB . 50328 1 177 . 1 . 1 53 53 ASP N N 15 119.315 0.3 . 1 . . . . . 53 ASP N . 50328 1 178 . 1 . 1 54 54 TRP H H 1 7.727 0.020 . 1 . . . . . 54 TRP H . 50328 1 179 . 1 . 1 54 54 TRP C C 13 178.382 0.3 . 1 . . . . . 54 TRP C . 50328 1 180 . 1 . 1 54 54 TRP CA C 13 61.937 0.3 . 1 . . . . . 54 TRP CA . 50328 1 181 . 1 . 1 54 54 TRP CB C 13 29.025 0.3 . 1 . . . . . 54 TRP CB . 50328 1 182 . 1 . 1 54 54 TRP N N 15 121.363 0.3 . 1 . . . . . 54 TRP N . 50328 1 183 . 1 . 1 55 55 LEU H H 1 8.692 0.020 . 1 . . . . . 55 LEU H . 50328 1 184 . 1 . 1 55 55 LEU C C 13 177.302 0.3 . 1 . . . . . 55 LEU C . 50328 1 185 . 1 . 1 55 55 LEU CA C 13 57.932 0.3 . 1 . . . . . 55 LEU CA . 50328 1 186 . 1 . 1 55 55 LEU CB C 13 42.384 0.3 . 1 . . . . . 55 LEU CB . 50328 1 187 . 1 . 1 55 55 LEU N N 15 121.766 0.3 . 1 . . . . . 55 LEU N . 50328 1 188 . 1 . 1 56 56 LYS H H 1 8.385 0.020 . 1 . . . . . 56 LYS H . 50328 1 189 . 1 . 1 56 56 LYS C C 13 179.499 0.3 . 1 . . . . . 56 LYS C . 50328 1 190 . 1 . 1 56 56 LYS CA C 13 60.108 0.3 . 1 . . . . . 56 LYS CA . 50328 1 191 . 1 . 1 56 56 LYS CB C 13 32.801 0.3 . 1 . . . . . 56 LYS CB . 50328 1 192 . 1 . 1 56 56 LYS N N 15 119.957 0.3 . 1 . . . . . 56 LYS N . 50328 1 193 . 1 . 1 57 57 GLU H H 1 7.232 0.020 . 1 . . . . . 57 GLU H . 50328 1 194 . 1 . 1 57 57 GLU C C 13 178.094 0.3 . 1 . . . . . 57 GLU C . 50328 1 195 . 1 . 1 57 57 GLU CA C 13 58.600 0.3 . 1 . . . . . 57 GLU CA . 50328 1 196 . 1 . 1 57 57 GLU CB C 13 29.219 0.3 . 1 . . . . . 57 GLU CB . 50328 1 197 . 1 . 1 57 57 GLU N N 15 117.762 0.3 . 1 . . . . . 57 GLU N . 50328 1 198 . 1 . 1 58 58 ALA H H 1 7.945 0.020 . 1 . . . . . 58 ALA H . 50328 1 199 . 1 . 1 58 58 ALA C C 13 179.175 0.3 . 1 . . . . . 58 ALA C . 50328 1 200 . 1 . 1 58 58 ALA CA C 13 54.750 0.3 . 1 . . . . . 58 ALA CA . 50328 1 201 . 1 . 1 58 58 ALA CB C 13 17.990 0.3 . 1 . . . . . 58 ALA CB . 50328 1 202 . 1 . 1 58 58 ALA N N 15 121.672 0.3 . 1 . . . . . 58 ALA N . 50328 1 203 . 1 . 1 59 59 LEU H H 1 8.187 0.020 . 1 . . . . . 59 LEU H . 50328 1 204 . 1 . 1 59 59 LEU C C 13 178.563 0.3 . 1 . . . . . 59 LEU C . 50328 1 205 . 1 . 1 59 59 LEU CA C 13 56.454 0.3 . 1 . . . . . 59 LEU CA . 50328 1 206 . 1 . 1 59 59 LEU CB C 13 42.098 0.3 . 1 . . . . . 59 LEU CB . 50328 1 207 . 1 . 1 59 59 LEU N N 15 114.562 0.3 . 1 . . . . . 59 LEU N . 50328 1 208 . 1 . 1 60 60 GLY H H 1 7.302 0.020 . 1 . . . . . 60 GLY H . 50328 1 209 . 1 . 1 60 60 GLY C C 13 174.419 0.3 . 1 . . . . . 60 GLY C . 50328 1 210 . 1 . 1 60 60 GLY CA C 13 47.030 0.3 . 1 . . . . . 60 GLY CA . 50328 1 211 . 1 . 1 60 60 GLY N N 15 105.291 0.3 . 1 . . . . . 60 GLY N . 50328 1 212 . 1 . 1 61 61 ASN H H 1 8.335 0.020 . 1 . . . . . 61 ASN H . 50328 1 213 . 1 . 1 61 61 ASN C C 13 174.419 0.3 . 1 . . . . . 61 ASN C . 50328 1 214 . 1 . 1 61 61 ASN CA C 13 53.419 0.3 . 1 . . . . . 61 ASN CA . 50328 1 215 . 1 . 1 61 61 ASN CB C 13 39.964 0.3 . 1 . . . . . 61 ASN CB . 50328 1 216 . 1 . 1 61 61 ASN N N 15 116.925 0.3 . 1 . . . . . 61 ASN N . 50328 1 217 . 1 . 1 62 62 ASP H H 1 8.794 0.020 . 1 . . . . . 62 ASP H . 50328 1 218 . 1 . 1 62 62 ASP C C 13 177.644 0.3 . 1 . . . . . 62 ASP C . 50328 1 219 . 1 . 1 62 62 ASP CA C 13 56.841 0.3 . 1 . . . . . 62 ASP CA . 50328 1 220 . 1 . 1 62 62 ASP CB C 13 40.646 0.3 . 1 . . . . . 62 ASP CB . 50328 1 221 . 1 . 1 62 62 ASP N N 15 124.895 0.3 . 1 . . . . . 62 ASP N . 50328 1 222 . 1 . 1 63 63 GLY H H 1 8.435 0.020 . 1 . . . . . 63 GLY H . 50328 1 223 . 1 . 1 63 63 GLY C C 13 177.067 0.3 . 1 . . . . . 63 GLY C . 50328 1 224 . 1 . 1 63 63 GLY CA C 13 47.030 0.3 . 1 . . . . . 63 GLY CA . 50328 1 225 . 1 . 1 63 63 GLY N N 15 108.882 0.3 . 1 . . . . . 63 GLY N . 50328 1 226 . 1 . 1 64 64 GLU H H 1 8.259 0.020 . 1 . . . . . 64 GLU H . 50328 1 227 . 1 . 1 64 64 GLU C C 13 179.157 0.3 . 1 . . . . . 64 GLU C . 50328 1 228 . 1 . 1 64 64 GLU CA C 13 58.840 0.3 . 1 . . . . . 64 GLU CA . 50328 1 229 . 1 . 1 64 64 GLU CB C 13 29.999 0.3 . 1 . . . . . 64 GLU CB . 50328 1 230 . 1 . 1 64 64 GLU N N 15 122.152 0.3 . 1 . . . . . 64 GLU N . 50328 1 231 . 1 . 1 65 65 PHE H H 1 8.576 0.020 . 1 . . . . . 65 PHE H . 50328 1 232 . 1 . 1 65 65 PHE C C 13 176.383 0.3 . 1 . . . . . 65 PHE C . 50328 1 233 . 1 . 1 65 65 PHE CA C 13 61.849 0.3 . 1 . . . . . 65 PHE CA . 50328 1 234 . 1 . 1 65 65 PHE CB C 13 38.899 0.3 . 1 . . . . . 65 PHE CB . 50328 1 235 . 1 . 1 65 65 PHE N N 15 122.157 0.3 . 1 . . . . . 65 PHE N . 50328 1 236 . 1 . 1 66 66 ASP H H 1 8.243 0.020 . 1 . . . . . 66 ASP H . 50328 1 237 . 1 . 1 66 66 ASP C C 13 178.940 0.3 . 1 . . . . . 66 ASP C . 50328 1 238 . 1 . 1 66 66 ASP CA C 13 57.898 0.3 . 1 . . . . . 66 ASP CA . 50328 1 239 . 1 . 1 66 66 ASP CB C 13 41.250 0.3 . 1 . . . . . 66 ASP CB . 50328 1 240 . 1 . 1 66 66 ASP N N 15 117.770 0.3 . 1 . . . . . 66 ASP N . 50328 1 241 . 1 . 1 67 67 LYS H H 1 7.457 0.020 . 1 . . . . . 67 LYS H . 50328 1 242 . 1 . 1 67 67 LYS C C 13 178.940 0.3 . 1 . . . . . 67 LYS C . 50328 1 243 . 1 . 1 67 67 LYS CA C 13 59.539 0.3 . 1 . . . . . 67 LYS CA . 50328 1 244 . 1 . 1 67 67 LYS CB C 13 32.413 0.3 . 1 . . . . . 67 LYS CB . 50328 1 245 . 1 . 1 67 67 LYS N N 15 118.813 0.3 . 1 . . . . . 67 LYS N . 50328 1 246 . 1 . 1 68 68 PHE H H 1 7.523 0.020 . 1 . . . . . 68 PHE H . 50328 1 247 . 1 . 1 68 68 PHE C C 13 175.302 0.3 . 1 . . . . . 68 PHE C . 50328 1 248 . 1 . 1 68 68 PHE CA C 13 60.508 0.3 . 1 . . . . . 68 PHE CA . 50328 1 249 . 1 . 1 68 68 PHE CB C 13 38.609 0.3 . 1 . . . . . 68 PHE CB . 50328 1 250 . 1 . 1 68 68 PHE N N 15 121.796 0.3 . 1 . . . . . 68 PHE N . 50328 1 251 . 1 . 1 69 69 LEU H H 1 7.425 0.020 . 1 . . . . . 69 LEU H . 50328 1 252 . 1 . 1 69 69 LEU C C 13 177.085 0.3 . 1 . . . . . 69 LEU C . 50328 1 253 . 1 . 1 69 69 LEU CA C 13 55.856 0.3 . 1 . . . . . 69 LEU CA . 50328 1 254 . 1 . 1 69 69 LEU CB C 13 42.190 0.3 . 1 . . . . . 69 LEU CB . 50328 1 255 . 1 . 1 69 69 LEU N N 15 112.655 0.3 . 1 . . . . . 69 LEU N . 50328 1 256 . 1 . 1 70 70 GLY H H 1 7.306 0.020 . 1 . . . . . 70 GLY H . 50328 1 257 . 1 . 1 70 70 GLY C C 13 175.266 0.3 . 1 . . . . . 70 GLY C . 50328 1 258 . 1 . 1 70 70 GLY CA C 13 44.901 0.3 . 1 . . . . . 70 GLY CA . 50328 1 259 . 1 . 1 70 70 GLY N N 15 103.961 0.3 . 1 . . . . . 70 GLY N . 50328 1 260 . 1 . 1 71 71 TYR H H 1 7.115 0.020 . 1 . . . . . 71 TYR H . 50328 1 261 . 1 . 1 71 71 TYR C C 13 173.825 0.3 . 1 . . . . . 71 TYR C . 50328 1 262 . 1 . 1 71 71 TYR CA C 13 56.458 0.3 . 1 . . . . . 71 TYR CA . 50328 1 263 . 1 . 1 71 71 TYR CB C 13 38.517 0.3 . 1 . . . . . 71 TYR CB . 50328 1 264 . 1 . 1 71 71 TYR N N 15 120.607 0.3 . 1 . . . . . 71 TYR N . 50328 1 265 . 1 . 1 72 72 ASP H H 1 8.187 0.020 . 1 . . . . . 72 ASP H . 50328 1 266 . 1 . 1 72 72 ASP C C 13 176.887 0.3 . 1 . . . . . 72 ASP C . 50328 1 267 . 1 . 1 72 72 ASP CA C 13 55.019 0.3 . 1 . . . . . 72 ASP CA . 50328 1 268 . 1 . 1 72 72 ASP CB C 13 42.674 0.3 . 1 . . . . . 72 ASP CB . 50328 1 269 . 1 . 1 72 72 ASP N N 15 117.160 0.3 . 1 . . . . . 72 ASP N . 50328 1 270 . 1 . 1 73 73 GLU H H 1 8.855 0.020 . 1 . . . . . 73 GLU H . 50328 1 271 . 1 . 1 73 73 GLU C C 13 177.607 0.3 . 1 . . . . . 73 GLU C . 50328 1 272 . 1 . 1 73 73 GLU CA C 13 60.542 0.3 . 1 . . . . . 73 GLU CA . 50328 1 273 . 1 . 1 73 73 GLU CB C 13 30.381 0.3 . 1 . . . . . 73 GLU CB . 50328 1 274 . 1 . 1 73 73 GLU N N 15 124.150 0.3 . 1 . . . . . 73 GLU N . 50328 1 275 . 1 . 1 74 74 SER H H 1 8.537 0.020 . 1 . . . . . 74 SER H . 50328 1 276 . 1 . 1 74 74 SER C C 13 177.283 0.3 . 1 . . . . . 74 SER C . 50328 1 277 . 1 . 1 74 74 SER CA C 13 61.849 0.3 . 1 . . . . . 74 SER CA . 50328 1 278 . 1 . 1 74 74 SER N N 15 113.728 0.3 . 1 . . . . . 74 SER N . 50328 1 279 . 1 . 1 75 75 LYS H H 1 7.451 0.020 . 1 . . . . . 75 LYS H . 50328 1 280 . 1 . 1 75 75 LYS C C 13 179.301 0.3 . 1 . . . . . 75 LYS C . 50328 1 281 . 1 . 1 75 75 LYS CA C 13 59.102 0.3 . 1 . . . . . 75 LYS CA . 50328 1 282 . 1 . 1 75 75 LYS CB C 13 32.704 0.3 . 1 . . . . . 75 LYS CB . 50328 1 283 . 1 . 1 75 75 LYS N N 15 123.422 0.3 . 1 . . . . . 75 LYS N . 50328 1 284 . 1 . 1 76 76 ILE CA C 13 66.440 0.3 . 1 . . . . . 76 ILE CA . 50328 1 285 . 1 . 1 76 76 ILE CB C 13 38.670 0.3 . 1 . . . . . 76 ILE CB . 50328 1 286 . 1 . 1 77 77 LYS H H 1 8.262 0.020 . 1 . . . . . 77 LYS H . 50328 1 287 . 1 . 1 77 77 LYS C C 13 177.968 0.3 . 1 . . . . . 77 LYS C . 50328 1 288 . 1 . 1 77 77 LYS CB C 13 32.704 0.3 . 1 . . . . . 77 LYS CB . 50328 1 289 . 1 . 1 77 77 LYS N N 15 118.877 0.3 . 1 . . . . . 77 LYS N . 50328 1 290 . 1 . 1 78 78 THR H H 1 7.888 0.020 . 1 . . . . . 78 THR H . 50328 1 291 . 1 . 1 78 78 THR C C 13 177.140 0.3 . 1 . . . . . 78 THR C . 50328 1 292 . 1 . 1 78 78 THR CA C 13 66.805 0.3 . 1 . . . . . 78 THR CA . 50328 1 293 . 1 . 1 78 78 THR CB C 13 68.811 0.3 . 1 . . . . . 78 THR CB . 50328 1 294 . 1 . 1 78 78 THR N N 15 114.161 0.3 . 1 . . . . . 78 THR N . 50328 1 295 . 1 . 1 79 79 ALA H H 1 8.234 0.020 . 1 . . . . . 79 ALA H . 50328 1 296 . 1 . 1 79 79 ALA C C 13 179.967 0.3 . 1 . . . . . 79 ALA C . 50328 1 297 . 1 . 1 79 79 ALA CA C 13 55.988 0.3 . 1 . . . . . 79 ALA CA . 50328 1 298 . 1 . 1 79 79 ALA N N 15 125.027 0.3 . 1 . . . . . 79 ALA N . 50328 1 299 . 1 . 1 80 80 LEU H H 1 8.803 0.020 . 1 . . . . . 80 LEU H . 50328 1 300 . 1 . 1 80 80 LEU C C 13 180.093 0.3 . 1 . . . . . 80 LEU C . 50328 1 301 . 1 . 1 80 80 LEU CA C 13 58.300 0.3 . 1 . . . . . 80 LEU CA . 50328 1 302 . 1 . 1 80 80 LEU CB C 13 41.706 0.3 . 1 . . . . . 80 LEU CB . 50328 1 303 . 1 . 1 80 80 LEU N N 15 117.891 0.3 . 1 . . . . . 80 LEU N . 50328 1 304 . 1 . 1 81 81 ASP H H 1 8.747 0.020 . 1 . . . . . 81 ASP H . 50328 1 305 . 1 . 1 81 81 ASP C C 13 178.814 0.3 . 1 . . . . . 81 ASP C . 50328 1 306 . 1 . 1 81 81 ASP CA C 13 57.595 0.3 . 1 . . . . . 81 ASP CA . 50328 1 307 . 1 . 1 81 81 ASP CB C 13 39.577 0.3 . 1 . . . . . 81 ASP CB . 50328 1 308 . 1 . 1 81 81 ASP N N 15 123.184 0.3 . 1 . . . . . 81 ASP N . 50328 1 309 . 1 . 1 82 82 HIS H H 1 8.244 0.020 . 1 . . . . . 82 HIS H . 50328 1 310 . 1 . 1 82 82 HIS C C 13 176.942 0.3 . 1 . . . . . 82 HIS C . 50328 1 311 . 1 . 1 82 82 HIS CA C 13 59.740 0.3 . 1 . . . . . 82 HIS CA . 50328 1 312 . 1 . 1 82 82 HIS N N 15 122.507 0.3 . 1 . . . . . 82 HIS N . 50328 1 313 . 1 . 1 83 83 ILE CA C 13 66.140 0.3 . 1 . . . . . 83 ILE CA . 50328 1 314 . 1 . 1 83 83 ILE CB C 13 38.130 0.3 . 1 . . . . . 83 ILE CB . 50328 1 315 . 1 . 1 84 84 LYS H H 1 7.372 0.020 . 1 . . . . . 84 LYS H . 50328 1 316 . 1 . 1 84 84 LYS C C 13 177.157 0.3 . 1 . . . . . 84 LYS C . 50328 1 317 . 1 . 1 84 84 LYS CA C 13 59.874 0.3 . 1 . . . . . 84 LYS CA . 50328 1 318 . 1 . 1 84 84 LYS CB C 13 31.639 0.3 . 1 . . . . . 84 LYS CB . 50328 1 319 . 1 . 1 84 84 LYS N N 15 118.445 0.3 . 1 . . . . . 84 LYS N . 50328 1 320 . 1 . 1 85 85 SER H H 1 7.653 0.020 . 1 . . . . . 85 SER H . 50328 1 321 . 1 . 1 85 85 SER C C 13 177.121 0.3 . 1 . . . . . 85 SER C . 50328 1 322 . 1 . 1 85 85 SER CA C 13 61.447 0.3 . 1 . . . . . 85 SER CA . 50328 1 323 . 1 . 1 85 85 SER CB C 13 62.809 0.3 . 1 . . . . . 85 SER CB . 50328 1 324 . 1 . 1 85 85 SER N N 15 112.361 0.3 . 1 . . . . . 85 SER N . 50328 1 325 . 1 . 1 86 86 GLU H H 1 7.798 0.020 . 1 . . . . . 86 GLU H . 50328 1 326 . 1 . 1 86 86 GLU C C 13 179.967 0.3 . 1 . . . . . 86 GLU C . 50328 1 327 . 1 . 1 86 86 GLU CA C 13 58.300 0.3 . 1 . . . . . 86 GLU CA . 50328 1 328 . 1 . 1 86 86 GLU CB C 13 29.606 0.3 . 1 . . . . . 86 GLU CB . 50328 1 329 . 1 . 1 86 86 GLU N N 15 118.980 0.3 . 1 . . . . . 86 GLU N . 50328 1 330 . 1 . 1 87 87 LEU H H 1 8.175 0.020 . 1 . . . . . 87 LEU H . 50328 1 331 . 1 . 1 87 87 LEU C C 13 180.724 0.3 . 1 . . . . . 87 LEU C . 50328 1 332 . 1 . 1 87 87 LEU CA C 13 58.198 0.3 . 1 . . . . . 87 LEU CA . 50328 1 333 . 1 . 1 87 87 LEU CB C 13 41.673 0.3 . 1 . . . . . 87 LEU CB . 50328 1 334 . 1 . 1 87 87 LEU N N 15 121.742 0.3 . 1 . . . . . 87 LEU N . 50328 1 335 . 1 . 1 88 88 ASP H H 1 8.467 0.020 . 1 . . . . . 88 ASP H . 50328 1 336 . 1 . 1 88 88 ASP C C 13 177.806 0.3 . 1 . . . . . 88 ASP C . 50328 1 337 . 1 . 1 88 88 ASP CA C 13 56.659 0.3 . 1 . . . . . 88 ASP CA . 50328 1 338 . 1 . 1 88 88 ASP CB C 13 40.061 0.3 . 1 . . . . . 88 ASP CB . 50328 1 339 . 1 . 1 88 88 ASP N N 15 120.031 0.3 . 1 . . . . . 88 ASP N . 50328 1 340 . 1 . 1 89 89 LYS H H 1 7.063 0.020 . 1 . . . . . 89 LYS H . 50328 1 341 . 1 . 1 89 89 LYS C C 13 177.337 0.3 . 1 . . . . . 89 LYS C . 50328 1 342 . 1 . 1 89 89 LYS CA C 13 57.697 0.3 . 1 . . . . . 89 LYS CA . 50328 1 343 . 1 . 1 89 89 LYS CB C 13 33.188 0.3 . 1 . . . . . 89 LYS CB . 50328 1 344 . 1 . 1 89 89 LYS N N 15 116.921 0.3 . 1 . . . . . 89 LYS N . 50328 1 345 . 1 . 1 90 90 CYS H H 1 7.418 0.020 . 1 . . . . . 90 CYS H . 50328 1 346 . 1 . 1 90 90 CYS C C 13 173.951 0.3 . 1 . . . . . 90 CYS C . 50328 1 347 . 1 . 1 90 90 CYS CA C 13 59.104 0.3 . 1 . . . . . 90 CYS CA . 50328 1 348 . 1 . 1 90 90 CYS CB C 13 27.186 0.3 . 1 . . . . . 90 CYS CB . 50328 1 349 . 1 . 1 90 90 CYS N N 15 118.856 0.3 . 1 . . . . . 90 CYS N . 50328 1 350 . 1 . 1 91 91 ASN H H 1 8.019 0.020 . 1 . . . . . 91 ASN H . 50328 1 351 . 1 . 1 91 91 ASN C C 13 175.158 0.3 . 1 . . . . . 91 ASN C . 50328 1 352 . 1 . 1 91 91 ASN CA C 13 53.345 0.3 . 1 . . . . . 91 ASN CA . 50328 1 353 . 1 . 1 91 91 ASN CB C 13 40.351 0.3 . 1 . . . . . 91 ASN CB . 50328 1 354 . 1 . 1 91 91 ASN N N 15 120.241 0.3 . 1 . . . . . 91 ASN N . 50328 1 355 . 1 . 1 92 92 GLY H H 1 8.595 0.020 . 1 . . . . . 92 GLY H . 50328 1 356 . 1 . 1 92 92 GLY C C 13 175.122 0.3 . 1 . . . . . 92 GLY C . 50328 1 357 . 1 . 1 92 92 GLY CA C 13 44.804 0.3 . 1 . . . . . 92 GLY CA . 50328 1 358 . 1 . 1 92 92 GLY N N 15 108.885 0.3 . 1 . . . . . 92 GLY N . 50328 1 359 . 1 . 1 93 93 ASN CA C 13 55.390 0.3 . 1 . . . . . 93 ASN CA . 50328 1 360 . 1 . 1 93 93 ASN CB C 13 38.420 0.3 . 1 . . . . . 93 ASN CB . 50328 1 361 . 1 . 1 94 94 ASP H H 1 8.589 0.020 . 1 . . . . . 94 ASP H . 50328 1 362 . 1 . 1 94 94 ASP C C 13 176.275 0.3 . 1 . . . . . 94 ASP C . 50328 1 363 . 1 . 1 94 94 ASP CA C 13 53.679 0.3 . 1 . . . . . 94 ASP CA . 50328 1 364 . 1 . 1 94 94 ASP CB C 13 40.545 0.3 . 1 . . . . . 94 ASP CB . 50328 1 365 . 1 . 1 94 94 ASP N N 15 118.996 0.3 . 1 . . . . . 94 ASP N . 50328 1 366 . 1 . 1 95 95 ALA H H 1 7.564 0.020 . 1 . . . . . 95 ALA H . 50328 1 367 . 1 . 1 95 95 ALA C C 13 179.049 0.3 . 1 . . . . . 95 ALA C . 50328 1 368 . 1 . 1 95 95 ALA CA C 13 55.889 0.3 . 1 . . . . . 95 ALA CA . 50328 1 369 . 1 . 1 95 95 ALA CB C 13 19.442 0.3 . 1 . . . . . 95 ALA CB . 50328 1 370 . 1 . 1 95 95 ALA N N 15 122.831 0.3 . 1 . . . . . 95 ALA N . 50328 1 371 . 1 . 1 96 96 ASP H H 1 8.533 0.020 . 1 . . . . . 96 ASP H . 50328 1 372 . 1 . 1 96 96 ASP C C 13 178.832 0.3 . 1 . . . . . 96 ASP C . 50328 1 373 . 1 . 1 96 96 ASP CA C 13 57.764 0.3 . 1 . . . . . 96 ASP CA . 50328 1 374 . 1 . 1 96 96 ASP CB C 13 40.448 0.3 . 1 . . . . . 96 ASP CB . 50328 1 375 . 1 . 1 96 96 ASP N N 15 116.411 0.3 . 1 . . . . . 96 ASP N . 50328 1 376 . 1 . 1 97 97 GLN H H 1 8.113 0.020 . 1 . . . . . 97 GLN H . 50328 1 377 . 1 . 1 97 97 GLN C C 13 178.688 0.3 . 1 . . . . . 97 GLN C . 50328 1 378 . 1 . 1 97 97 GLN CA C 13 58.801 0.3 . 1 . . . . . 97 GLN CA . 50328 1 379 . 1 . 1 97 97 GLN CB C 13 28.555 0.3 . 1 . . . . . 97 GLN CB . 50328 1 380 . 1 . 1 97 97 GLN N N 15 121.276 0.3 . 1 . . . . . 97 GLN N . 50328 1 381 . 1 . 1 98 98 GLN H H 1 8.317 0.020 . 1 . . . . . 98 GLN H . 50328 1 382 . 1 . 1 98 98 GLN C C 13 179.355 0.3 . 1 . . . . . 98 GLN C . 50328 1 383 . 1 . 1 98 98 GLN CA C 13 59.104 0.3 . 1 . . . . . 98 GLN CA . 50328 1 384 . 1 . 1 98 98 GLN CB C 13 28.838 0.3 . 1 . . . . . 98 GLN CB . 50328 1 385 . 1 . 1 98 98 GLN N N 15 120.137 0.3 . 1 . . . . . 98 GLN N . 50328 1 386 . 1 . 1 99 99 LYS H H 1 8.578 0.020 . 1 . . . . . 99 LYS H . 50328 1 387 . 1 . 1 99 99 LYS C C 13 179.049 0.3 . 1 . . . . . 99 LYS C . 50328 1 388 . 1 . 1 99 99 LYS CA C 13 60.642 0.3 . 1 . . . . . 99 LYS CA . 50328 1 389 . 1 . 1 99 99 LYS CB C 13 32.897 0.3 . 1 . . . . . 99 LYS CB . 50328 1 390 . 1 . 1 99 99 LYS N N 15 120.920 0.3 . 1 . . . . . 99 LYS N . 50328 1 391 . 1 . 1 100 100 THR H H 1 8.193 0.020 . 1 . . . . . 100 THR H . 50328 1 392 . 1 . 1 100 100 THR C C 13 176.815 0.3 . 1 . . . . . 100 THR C . 50328 1 393 . 1 . 1 100 100 THR CA C 13 66.738 0.3 . 1 . . . . . 100 THR CA . 50328 1 394 . 1 . 1 100 100 THR CB C 13 68.663 0.3 . 1 . . . . . 100 THR CB . 50328 1 395 . 1 . 1 100 100 THR N N 15 117.619 0.3 . 1 . . . . . 100 THR N . 50328 1 396 . 1 . 1 101 101 THR H H 1 8.542 0.020 . 1 . . . . . 101 THR H . 50328 1 397 . 1 . 1 101 101 THR C C 13 176.599 0.3 . 1 . . . . . 101 THR C . 50328 1 398 . 1 . 1 101 101 THR CA C 13 66.367 0.3 . 1 . . . . . 101 THR CA . 50328 1 399 . 1 . 1 101 101 THR CB C 13 68.617 0.3 . 1 . . . . . 101 THR CB . 50328 1 400 . 1 . 1 101 101 THR N N 15 119.792 0.3 . 1 . . . . . 101 THR N . 50328 1 401 . 1 . 1 102 102 PHE H H 1 8.326 0.020 . 1 . . . . . 102 PHE H . 50328 1 402 . 1 . 1 102 102 PHE C C 13 177.247 0.3 . 1 . . . . . 102 PHE C . 50328 1 403 . 1 . 1 102 102 PHE CA C 13 61.146 0.3 . 1 . . . . . 102 PHE CA . 50328 1 404 . 1 . 1 102 102 PHE CB C 13 38.807 0.3 . 1 . . . . . 102 PHE CB . 50328 1 405 . 1 . 1 102 102 PHE N N 15 122.785 0.3 . 1 . . . . . 102 PHE N . 50328 1 406 . 1 . 1 103 103 LYS H H 1 8.305 0.020 . 1 . . . . . 103 LYS H . 50328 1 407 . 1 . 1 103 103 LYS C C 13 178.022 0.3 . 1 . . . . . 103 LYS C . 50328 1 408 . 1 . 1 103 103 LYS CA C 13 60.609 0.3 . 1 . . . . . 103 LYS CA . 50328 1 409 . 1 . 1 103 103 LYS CB C 13 32.704 0.3 . 1 . . . . . 103 LYS CB . 50328 1 410 . 1 . 1 103 103 LYS N N 15 119.580 0.3 . 1 . . . . . 103 LYS N . 50328 1 411 . 1 . 1 104 104 GLN H H 1 7.692 0.020 . 1 . . . . . 104 GLN H . 50328 1 412 . 1 . 1 104 104 GLN C C 13 178.995 0.3 . 1 . . . . . 104 GLN C . 50328 1 413 . 1 . 1 104 104 GLN CA C 13 58.534 0.3 . 1 . . . . . 104 GLN CA . 50328 1 414 . 1 . 1 104 104 GLN CB C 13 28.638 0.3 . 1 . . . . . 104 GLN CB . 50328 1 415 . 1 . 1 104 104 GLN N N 15 116.596 0.3 . 1 . . . . . 104 GLN N . 50328 1 416 . 1 . 1 105 105 THR H H 1 8.270 0.020 . 1 . . . . . 105 THR H . 50328 1 417 . 1 . 1 105 105 THR C C 13 176.815 0.3 . 1 . . . . . 105 THR C . 50328 1 418 . 1 . 1 105 105 THR CA C 13 65.427 0.3 . 1 . . . . . 105 THR CA . 50328 1 419 . 1 . 1 105 105 THR CB C 13 69.049 0.3 . 1 . . . . . 105 THR CB . 50328 1 420 . 1 . 1 105 105 THR N N 15 117.179 0.3 . 1 . . . . . 105 THR N . 50328 1 421 . 1 . 1 106 106 VAL H H 1 8.093 0.020 . 1 . . . . . 106 VAL H . 50328 1 422 . 1 . 1 106 106 VAL C C 13 176.599 0.3 . 1 . . . . . 106 VAL C . 50328 1 423 . 1 . 1 106 106 VAL CA C 13 66.635 0.3 . 1 . . . . . 106 VAL CA . 50328 1 424 . 1 . 1 106 106 VAL CB C 13 31.434 0.3 . 1 . . . . . 106 VAL CB . 50328 1 425 . 1 . 1 106 106 VAL N N 15 122.165 0.3 . 1 . . . . . 106 VAL N . 50328 1 426 . 1 . 1 107 107 GLN H H 1 8.078 0.020 . 1 . . . . . 107 GLN H . 50328 1 427 . 1 . 1 107 107 GLN C C 13 179.085 0.3 . 1 . . . . . 107 GLN C . 50328 1 428 . 1 . 1 107 107 GLN CA C 13 59.539 0.3 . 1 . . . . . 107 GLN CA . 50328 1 429 . 1 . 1 107 107 GLN CB C 13 28.445 0.3 . 1 . . . . . 107 GLN CB . 50328 1 430 . 1 . 1 107 107 GLN N N 15 118.826 0.3 . 1 . . . . . 107 GLN N . 50328 1 431 . 1 . 1 108 108 GLY H H 1 8.154 0.020 . 1 . . . . . 108 GLY H . 50328 1 432 . 1 . 1 108 108 GLY C C 13 176.220 0.3 . 1 . . . . . 108 GLY C . 50328 1 433 . 1 . 1 108 108 GLY CA C 13 46.837 0.3 . 1 . . . . . 108 GLY CA . 50328 1 434 . 1 . 1 108 108 GLY N N 15 105.758 0.3 . 1 . . . . . 108 GLY N . 50328 1 435 . 1 . 1 109 109 ALA H H 1 8.118 0.020 . 1 . . . . . 109 ALA H . 50328 1 436 . 1 . 1 109 109 ALA C C 13 179.571 0.3 . 1 . . . . . 109 ALA C . 50328 1 437 . 1 . 1 109 109 ALA CA C 13 54.758 0.3 . 1 . . . . . 109 ALA CA . 50328 1 438 . 1 . 1 109 109 ALA CB C 13 19.442 0.3 . 1 . . . . . 109 ALA CB . 50328 1 439 . 1 . 1 109 109 ALA N N 15 124.439 0.3 . 1 . . . . . 109 ALA N . 50328 1 440 . 1 . 1 110 110 LEU H H 1 8.018 0.020 . 1 . . . . . 110 LEU H . 50328 1 441 . 1 . 1 110 110 LEU C C 13 179.211 0.3 . 1 . . . . . 110 LEU C . 50328 1 442 . 1 . 1 110 110 LEU CA C 13 56.223 0.3 . 1 . . . . . 110 LEU CA . 50328 1 443 . 1 . 1 110 110 LEU CB C 13 41.711 0.3 . 1 . . . . . 110 LEU CB . 50328 1 444 . 1 . 1 110 110 LEU N N 15 116.656 0.3 . 1 . . . . . 110 LEU N . 50328 1 445 . 1 . 1 111 111 SER H H 1 7.776 0.020 . 1 . . . . . 111 SER H . 50328 1 446 . 1 . 1 111 111 SER C C 13 175.716 0.3 . 1 . . . . . 111 SER C . 50328 1 447 . 1 . 1 111 111 SER CA C 13 60.945 0.3 . 1 . . . . . 111 SER CA . 50328 1 448 . 1 . 1 111 111 SER CB C 13 63.101 0.3 . 1 . . . . . 111 SER CB . 50328 1 449 . 1 . 1 111 111 SER N N 15 115.911 0.3 . 1 . . . . . 111 SER N . 50328 1 450 . 1 . 1 112 112 GLY H H 1 8.038 0.020 . 1 . . . . . 112 GLY H . 50328 1 451 . 1 . 1 112 112 GLY C C 13 174.527 0.3 . 1 . . . . . 112 GLY C . 50328 1 452 . 1 . 1 112 112 GLY CA C 13 45.385 0.3 . 1 . . . . . 112 GLY CA . 50328 1 453 . 1 . 1 112 112 GLY N N 15 108.921 0.3 . 1 . . . . . 112 GLY N . 50328 1 454 . 1 . 1 113 113 GLY H H 1 7.768 0.020 . 1 . . . . . 113 GLY H . 50328 1 455 . 1 . 1 113 113 GLY C C 13 173.572 0.3 . 1 . . . . . 113 GLY C . 50328 1 456 . 1 . 1 113 113 GLY CA C 13 44.784 0.3 . 1 . . . . . 113 GLY CA . 50328 1 457 . 1 . 1 113 113 GLY N N 15 108.727 0.3 . 1 . . . . . 113 GLY N . 50328 1 458 . 1 . 1 114 114 ILE H H 1 7.583 0.020 . 1 . . . . . 114 ILE H . 50328 1 459 . 1 . 1 114 114 ILE C C 13 176.311 0.3 . 1 . . . . . 114 ILE C . 50328 1 460 . 1 . 1 114 114 ILE CA C 13 60.969 0.3 . 1 . . . . . 114 ILE CA . 50328 1 461 . 1 . 1 114 114 ILE CB C 13 39.577 0.3 . 1 . . . . . 114 ILE CB . 50328 1 462 . 1 . 1 114 114 ILE N N 15 118.073 0.3 . 1 . . . . . 114 ILE N . 50328 1 463 . 1 . 1 115 115 ASP H H 1 8.167 0.020 . 1 . . . . . 115 ASP H . 50328 1 464 . 1 . 1 115 115 ASP C C 13 177.085 0.3 . 1 . . . . . 115 ASP C . 50328 1 465 . 1 . 1 115 115 ASP CA C 13 56.156 0.3 . 1 . . . . . 115 ASP CA . 50328 1 466 . 1 . 1 115 115 ASP CB C 13 40.545 0.3 . 1 . . . . . 115 ASP CB . 50328 1 467 . 1 . 1 115 115 ASP N N 15 122.956 0.3 . 1 . . . . . 115 ASP N . 50328 1 468 . 1 . 1 116 116 GLY H H 1 8.220 0.020 . 1 . . . . . 116 GLY H . 50328 1 469 . 1 . 1 116 116 GLY C C 13 174.293 0.3 . 1 . . . . . 116 GLY C . 50328 1 470 . 1 . 1 116 116 GLY CA C 13 45.385 0.3 . 1 . . . . . 116 GLY CA . 50328 1 471 . 1 . 1 116 116 GLY N N 15 108.628 0.3 . 1 . . . . . 116 GLY N . 50328 1 472 . 1 . 1 117 117 PHE H H 1 7.786 0.020 . 1 . . . . . 117 PHE H . 50328 1 473 . 1 . 1 117 117 PHE C C 13 175.734 0.3 . 1 . . . . . 117 PHE C . 50328 1 474 . 1 . 1 117 117 PHE CA C 13 58.549 0.3 . 1 . . . . . 117 PHE CA . 50328 1 475 . 1 . 1 117 117 PHE CB C 13 39.678 0.3 . 1 . . . . . 117 PHE CB . 50328 1 476 . 1 . 1 117 117 PHE N N 15 121.204 0.3 . 1 . . . . . 117 PHE N . 50328 1 477 . 1 . 1 118 118 GLY H H 1 8.166 0.020 . 1 . . . . . 118 GLY H . 50328 1 478 . 1 . 1 118 118 GLY C C 13 173.771 0.3 . 1 . . . . . 118 GLY C . 50328 1 479 . 1 . 1 118 118 GLY CA C 13 44.873 0.3 . 1 . . . . . 118 GLY CA . 50328 1 480 . 1 . 1 118 118 GLY N N 15 111.929 0.3 . 1 . . . . . 118 GLY N . 50328 1 481 . 1 . 1 119 119 SER H H 1 7.941 0.020 . 1 . . . . . 119 SER H . 50328 1 482 . 1 . 1 119 119 SER C C 13 174.185 0.3 . 1 . . . . . 119 SER C . 50328 1 483 . 1 . 1 119 119 SER CA C 13 58.700 0.3 . 1 . . . . . 119 SER CA . 50328 1 484 . 1 . 1 119 119 SER CB C 13 63.873 0.3 . 1 . . . . . 119 SER CB . 50328 1 485 . 1 . 1 119 119 SER N N 15 115.143 0.3 . 1 . . . . . 119 SER N . 50328 1 486 . 1 . 1 120 120 ASN H H 1 8.459 0.020 . 1 . . . . . 120 ASN H . 50328 1 487 . 1 . 1 120 120 ASN C C 13 175.014 0.3 . 1 . . . . . 120 ASN C . 50328 1 488 . 1 . 1 120 120 ASN CA C 13 53.846 0.3 . 1 . . . . . 120 ASN CA . 50328 1 489 . 1 . 1 120 120 ASN N N 15 120.082 0.3 . 1 . . . . . 120 ASN N . 50328 1 490 . 1 . 1 121 121 ASN CA C 13 53.500 0.3 . 1 . . . . . 121 ASN CA . 50328 1 491 . 1 . 1 121 121 ASN CB C 13 38.900 0.3 . 1 . . . . . 121 ASN CB . 50328 1 492 . 1 . 1 122 122 ALA H H 1 8.216 0.020 . 1 . . . . . 122 ALA H . 50328 1 493 . 1 . 1 122 122 ALA C C 13 177.301 0.3 . 1 . . . . . 122 ALA C . 50328 1 494 . 1 . 1 122 122 ALA CA C 13 53.032 0.3 . 1 . . . . . 122 ALA CA . 50328 1 495 . 1 . 1 122 122 ALA CB C 13 19.442 0.3 . 1 . . . . . 122 ALA CB . 50328 1 496 . 1 . 1 122 122 ALA N N 15 124.042 0.3 . 1 . . . . . 122 ALA N . 50328 1 497 . 1 . 1 123 123 VAL H H 1 8.129 0.020 . 1 . . . . . 123 VAL H . 50328 1 498 . 1 . 1 123 123 VAL C C 13 176.491 0.3 . 1 . . . . . 123 VAL C . 50328 1 499 . 1 . 1 123 123 VAL CA C 13 62.084 0.3 . 1 . . . . . 123 VAL CA . 50328 1 500 . 1 . 1 123 123 VAL CB C 13 33.091 0.3 . 1 . . . . . 123 VAL CB . 50328 1 501 . 1 . 1 123 123 VAL N N 15 119.132 0.3 . 1 . . . . . 123 VAL N . 50328 1 502 . 1 . 1 124 124 THR H H 1 8.305 0.020 . 1 . . . . . 124 THR H . 50328 1 503 . 1 . 1 124 124 THR C C 13 174.743 0.3 . 1 . . . . . 124 THR C . 50328 1 504 . 1 . 1 124 124 THR CA C 13 61.581 0.3 . 1 . . . . . 124 THR CA . 50328 1 505 . 1 . 1 124 124 THR CB C 13 69.972 0.3 . 1 . . . . . 124 THR CB . 50328 1 506 . 1 . 1 124 124 THR N N 15 117.260 0.3 . 1 . . . . . 124 THR N . 50328 1 507 . 1 . 1 125 125 THR H H 1 8.152 0.020 . 1 . . . . . 125 THR H . 50328 1 508 . 1 . 1 125 125 THR C C 13 174.509 0.3 . 1 . . . . . 125 THR C . 50328 1 509 . 1 . 1 125 125 THR CA C 13 61.830 0.3 . 1 . . . . . 125 THR CA . 50328 1 510 . 1 . 1 125 125 THR CB C 13 69.880 0.3 . 1 . . . . . 125 THR CB . 50328 1 511 . 1 . 1 125 125 THR N N 15 115.688 0.3 . 1 . . . . . 125 THR N . 50328 1 512 . 1 . 1 126 126 CYS H H 1 8.389 0.020 . 1 . . . . . 126 CYS H . 50328 1 513 . 1 . 1 126 126 CYS C C 13 175.014 0.3 . 1 . . . . . 126 CYS C . 50328 1 514 . 1 . 1 126 126 CYS CA C 13 58.668 0.3 . 1 . . . . . 126 CYS CA . 50328 1 515 . 1 . 1 126 126 CYS CB C 13 28.257 0.3 . 1 . . . . . 126 CYS CB . 50328 1 516 . 1 . 1 126 126 CYS N N 15 121.149 0.3 . 1 . . . . . 126 CYS N . 50328 1 517 . 1 . 1 127 127 GLY H H 1 8.492 0.020 . 1 . . . . . 127 GLY H . 50328 1 518 . 1 . 1 127 127 GLY C C 13 173.969 0.3 . 1 . . . . . 127 GLY C . 50328 1 519 . 1 . 1 127 127 GLY CA C 13 45.454 0.3 . 1 . . . . . 127 GLY CA . 50328 1 520 . 1 . 1 127 127 GLY N N 15 111.371 0.3 . 1 . . . . . 127 GLY N . 50328 1 521 . 1 . 1 128 128 ASN H H 1 8.411 0.020 . 1 . . . . . 128 ASN H . 50328 1 522 . 1 . 1 128 128 ASN C C 13 175.788 0.3 . 1 . . . . . 128 ASN C . 50328 1 523 . 1 . 1 128 128 ASN CA C 13 53.636 0.3 . 1 . . . . . 128 ASN CA . 50328 1 524 . 1 . 1 128 128 ASN CB C 13 39.291 0.3 . 1 . . . . . 128 ASN CB . 50328 1 525 . 1 . 1 128 128 ASN N N 15 118.773 0.3 . 1 . . . . . 128 ASN N . 50328 1 526 . 1 . 1 129 129 GLY H H 1 8.477 0.020 . 1 . . . . . 129 GLY H . 50328 1 527 . 1 . 1 129 129 GLY C C 13 173.464 0.3 . 1 . . . . . 129 GLY C . 50328 1 528 . 1 . 1 129 129 GLY CA C 13 45.481 0.3 . 1 . . . . . 129 GLY CA . 50328 1 529 . 1 . 1 129 129 GLY N N 15 109.960 0.3 . 1 . . . . . 129 GLY N . 50328 1 530 . 1 . 1 130 130 SER H H 1 7.858 0.020 . 1 . . . . . 130 SER H . 50328 1 531 . 1 . 1 130 130 SER C C 13 178.652 0.3 . 1 . . . . . 130 SER C . 50328 1 532 . 1 . 1 130 130 SER CA C 13 60.001 0.3 . 1 . . . . . 130 SER CA . 50328 1 533 . 1 . 1 130 130 SER CB C 13 65.037 0.3 . 1 . . . . . 130 SER CB . 50328 1 534 . 1 . 1 130 130 SER N N 15 121.301 0.3 . 1 . . . . . 130 SER N . 50328 1 stop_ save_