data_30877 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30877 _Entry.Title ; Magic Angle Spinning NMR Structure of Human Cofilin-2 Assembled on Actin Filaments ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-03-10 _Entry.Accession_date 2021-03-10 _Entry.Last_release_date 2021-04-12 _Entry.Original_release_date 2021-04-12 _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 'SOLID-STATE NMR' _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. Kraus J. . . . 30877 2 T. Polenova T. . . . 30877 3 J. Perilla J. P. . . 30877 4 C. Xu C. . . . 30877 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'CONTRACTILE PROTEIN' . 30877 'actin filament binding' . 30877 'actin filament severing' . 30877 'cytoskeletal assembly' . 30877 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30877 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 779 30877 '15N chemical shifts' 163 30877 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 . . 2022-06-28 2021-03-10 update BMRB 'update entry citation' 30877 1 . . 2022-04-15 2021-03-10 original author 'original release' 30877 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7M0G 'BMRB Entry Tracking System' 30877 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30877 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35440100 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Magic angle spinning NMR structure of human cofilin-2 assembled on actin filaments reveals isoform-specific conformation and binding mode ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 13 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _Citation.Journal_CSD 0353 _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 2114 _Citation.Page_last 2114 _Citation.Year 2022 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jodi Kraus J. . . . 30877 1 2 Ryan Russell R. W. . . 30877 1 3 Elena Kudryashova E. . . . 30877 1 4 Chaoyi Xu C. . . . 30877 1 5 Nidhi Katyal N. . . . 30877 1 6 Juan Perilla J. R. . . 30877 1 7 Dmitri Kudryashov D. S. . . 30877 1 8 Tatyana Polenova T. . . . 30877 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30877 _Assembly.ID 1 _Assembly.Name Cofilin-2 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _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 unit_1 1 $entity_1 A A yes . . . . . . 30877 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30877 _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 A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MASGVTVNDEVIKVFNDMKV RKSSTQEEIKKRKKAVLFCL SDDKRQIIVEEAKQILVGDI GDTVEDPYTSFVKLLPLNDC RYALYDATYETKESKKEDLV FIFWAPESAPLKSKMIYASS KDAIKKKFTGIKHEWQVNGL DDIKDRSTLGEKLGGNVVVS LEGKPL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 166 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18765.627 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Cofilin common 30877 1 'muscle isoform' common 30877 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 30877 1 2 . ALA . 30877 1 3 . SER . 30877 1 4 . GLY . 30877 1 5 . VAL . 30877 1 6 . THR . 30877 1 7 . VAL . 30877 1 8 . ASN . 30877 1 9 . ASP . 30877 1 10 . GLU . 30877 1 11 . VAL . 30877 1 12 . ILE . 30877 1 13 . LYS . 30877 1 14 . VAL . 30877 1 15 . PHE . 30877 1 16 . ASN . 30877 1 17 . ASP . 30877 1 18 . MET . 30877 1 19 . LYS . 30877 1 20 . VAL . 30877 1 21 . ARG . 30877 1 22 . LYS . 30877 1 23 . SER . 30877 1 24 . SER . 30877 1 25 . THR . 30877 1 26 . GLN . 30877 1 27 . GLU . 30877 1 28 . GLU . 30877 1 29 . ILE . 30877 1 30 . LYS . 30877 1 31 . LYS . 30877 1 32 . ARG . 30877 1 33 . LYS . 30877 1 34 . LYS . 30877 1 35 . ALA . 30877 1 36 . VAL . 30877 1 37 . LEU . 30877 1 38 . PHE . 30877 1 39 . CYS . 30877 1 40 . LEU . 30877 1 41 . SER . 30877 1 42 . ASP . 30877 1 43 . ASP . 30877 1 44 . LYS . 30877 1 45 . ARG . 30877 1 46 . GLN . 30877 1 47 . ILE . 30877 1 48 . ILE . 30877 1 49 . VAL . 30877 1 50 . GLU . 30877 1 51 . GLU . 30877 1 52 . ALA . 30877 1 53 . LYS . 30877 1 54 . GLN . 30877 1 55 . ILE . 30877 1 56 . LEU . 30877 1 57 . VAL . 30877 1 58 . GLY . 30877 1 59 . ASP . 30877 1 60 . ILE . 30877 1 61 . GLY . 30877 1 62 . ASP . 30877 1 63 . THR . 30877 1 64 . VAL . 30877 1 65 . GLU . 30877 1 66 . ASP . 30877 1 67 . PRO . 30877 1 68 . TYR . 30877 1 69 . THR . 30877 1 70 . SER . 30877 1 71 . PHE . 30877 1 72 . VAL . 30877 1 73 . LYS . 30877 1 74 . LEU . 30877 1 75 . LEU . 30877 1 76 . PRO . 30877 1 77 . LEU . 30877 1 78 . ASN . 30877 1 79 . ASP . 30877 1 80 . CYS . 30877 1 81 . ARG . 30877 1 82 . TYR . 30877 1 83 . ALA . 30877 1 84 . LEU . 30877 1 85 . TYR . 30877 1 86 . ASP . 30877 1 87 . ALA . 30877 1 88 . THR . 30877 1 89 . TYR . 30877 1 90 . GLU . 30877 1 91 . THR . 30877 1 92 . LYS . 30877 1 93 . GLU . 30877 1 94 . SER . 30877 1 95 . LYS . 30877 1 96 . LYS . 30877 1 97 . GLU . 30877 1 98 . ASP . 30877 1 99 . LEU . 30877 1 100 . VAL . 30877 1 101 . PHE . 30877 1 102 . ILE . 30877 1 103 . PHE . 30877 1 104 . TRP . 30877 1 105 . ALA . 30877 1 106 . PRO . 30877 1 107 . GLU . 30877 1 108 . SER . 30877 1 109 . ALA . 30877 1 110 . PRO . 30877 1 111 . LEU . 30877 1 112 . LYS . 30877 1 113 . SER . 30877 1 114 . LYS . 30877 1 115 . MET . 30877 1 116 . ILE . 30877 1 117 . TYR . 30877 1 118 . ALA . 30877 1 119 . SER . 30877 1 120 . SER . 30877 1 121 . LYS . 30877 1 122 . ASP . 30877 1 123 . ALA . 30877 1 124 . ILE . 30877 1 125 . LYS . 30877 1 126 . LYS . 30877 1 127 . LYS . 30877 1 128 . PHE . 30877 1 129 . THR . 30877 1 130 . GLY . 30877 1 131 . ILE . 30877 1 132 . LYS . 30877 1 133 . HIS . 30877 1 134 . GLU . 30877 1 135 . TRP . 30877 1 136 . GLN . 30877 1 137 . VAL . 30877 1 138 . ASN . 30877 1 139 . GLY . 30877 1 140 . LEU . 30877 1 141 . ASP . 30877 1 142 . ASP . 30877 1 143 . ILE . 30877 1 144 . LYS . 30877 1 145 . ASP . 30877 1 146 . ARG . 30877 1 147 . SER . 30877 1 148 . THR . 30877 1 149 . LEU . 30877 1 150 . GLY . 30877 1 151 . GLU . 30877 1 152 . LYS . 30877 1 153 . LEU . 30877 1 154 . GLY . 30877 1 155 . GLY . 30877 1 156 . ASN . 30877 1 157 . VAL . 30877 1 158 . VAL . 30877 1 159 . VAL . 30877 1 160 . SER . 30877 1 161 . LEU . 30877 1 162 . GLU . 30877 1 163 . GLY . 30877 1 164 . LYS . 30877 1 165 . PRO . 30877 1 166 . LEU . 30877 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 30877 1 . ALA 2 2 30877 1 . SER 3 3 30877 1 . GLY 4 4 30877 1 . VAL 5 5 30877 1 . THR 6 6 30877 1 . VAL 7 7 30877 1 . ASN 8 8 30877 1 . ASP 9 9 30877 1 . GLU 10 10 30877 1 . VAL 11 11 30877 1 . ILE 12 12 30877 1 . LYS 13 13 30877 1 . VAL 14 14 30877 1 . PHE 15 15 30877 1 . ASN 16 16 30877 1 . ASP 17 17 30877 1 . MET 18 18 30877 1 . LYS 19 19 30877 1 . VAL 20 20 30877 1 . ARG 21 21 30877 1 . LYS 22 22 30877 1 . SER 23 23 30877 1 . SER 24 24 30877 1 . THR 25 25 30877 1 . GLN 26 26 30877 1 . GLU 27 27 30877 1 . GLU 28 28 30877 1 . ILE 29 29 30877 1 . LYS 30 30 30877 1 . LYS 31 31 30877 1 . ARG 32 32 30877 1 . LYS 33 33 30877 1 . LYS 34 34 30877 1 . ALA 35 35 30877 1 . VAL 36 36 30877 1 . LEU 37 37 30877 1 . PHE 38 38 30877 1 . CYS 39 39 30877 1 . LEU 40 40 30877 1 . SER 41 41 30877 1 . ASP 42 42 30877 1 . ASP 43 43 30877 1 . LYS 44 44 30877 1 . ARG 45 45 30877 1 . GLN 46 46 30877 1 . ILE 47 47 30877 1 . ILE 48 48 30877 1 . VAL 49 49 30877 1 . GLU 50 50 30877 1 . GLU 51 51 30877 1 . ALA 52 52 30877 1 . LYS 53 53 30877 1 . GLN 54 54 30877 1 . ILE 55 55 30877 1 . LEU 56 56 30877 1 . VAL 57 57 30877 1 . GLY 58 58 30877 1 . ASP 59 59 30877 1 . ILE 60 60 30877 1 . GLY 61 61 30877 1 . ASP 62 62 30877 1 . THR 63 63 30877 1 . VAL 64 64 30877 1 . GLU 65 65 30877 1 . ASP 66 66 30877 1 . PRO 67 67 30877 1 . TYR 68 68 30877 1 . THR 69 69 30877 1 . SER 70 70 30877 1 . PHE 71 71 30877 1 . VAL 72 72 30877 1 . LYS 73 73 30877 1 . LEU 74 74 30877 1 . LEU 75 75 30877 1 . PRO 76 76 30877 1 . LEU 77 77 30877 1 . ASN 78 78 30877 1 . ASP 79 79 30877 1 . CYS 80 80 30877 1 . ARG 81 81 30877 1 . TYR 82 82 30877 1 . ALA 83 83 30877 1 . LEU 84 84 30877 1 . TYR 85 85 30877 1 . ASP 86 86 30877 1 . ALA 87 87 30877 1 . THR 88 88 30877 1 . TYR 89 89 30877 1 . GLU 90 90 30877 1 . THR 91 91 30877 1 . LYS 92 92 30877 1 . GLU 93 93 30877 1 . SER 94 94 30877 1 . LYS 95 95 30877 1 . LYS 96 96 30877 1 . GLU 97 97 30877 1 . ASP 98 98 30877 1 . LEU 99 99 30877 1 . VAL 100 100 30877 1 . PHE 101 101 30877 1 . ILE 102 102 30877 1 . PHE 103 103 30877 1 . TRP 104 104 30877 1 . ALA 105 105 30877 1 . PRO 106 106 30877 1 . GLU 107 107 30877 1 . SER 108 108 30877 1 . ALA 109 109 30877 1 . PRO 110 110 30877 1 . LEU 111 111 30877 1 . LYS 112 112 30877 1 . SER 113 113 30877 1 . LYS 114 114 30877 1 . MET 115 115 30877 1 . ILE 116 116 30877 1 . TYR 117 117 30877 1 . ALA 118 118 30877 1 . SER 119 119 30877 1 . SER 120 120 30877 1 . LYS 121 121 30877 1 . ASP 122 122 30877 1 . ALA 123 123 30877 1 . ILE 124 124 30877 1 . LYS 125 125 30877 1 . LYS 126 126 30877 1 . LYS 127 127 30877 1 . PHE 128 128 30877 1 . THR 129 129 30877 1 . GLY 130 130 30877 1 . ILE 131 131 30877 1 . LYS 132 132 30877 1 . HIS 133 133 30877 1 . GLU 134 134 30877 1 . TRP 135 135 30877 1 . GLN 136 136 30877 1 . VAL 137 137 30877 1 . ASN 138 138 30877 1 . GLY 139 139 30877 1 . LEU 140 140 30877 1 . ASP 141 141 30877 1 . ASP 142 142 30877 1 . ILE 143 143 30877 1 . LYS 144 144 30877 1 . ASP 145 145 30877 1 . ARG 146 146 30877 1 . SER 147 147 30877 1 . THR 148 148 30877 1 . LEU 149 149 30877 1 . GLY 150 150 30877 1 . GLU 151 151 30877 1 . LYS 152 152 30877 1 . LEU 153 153 30877 1 . GLY 154 154 30877 1 . GLY 155 155 30877 1 . ASN 156 156 30877 1 . VAL 157 157 30877 1 . VAL 158 158 30877 1 . VAL 159 159 30877 1 . SER 160 160 30877 1 . LEU 161 161 30877 1 . GLU 162 162 30877 1 . GLY 163 163 30877 1 . LYS 164 164 30877 1 . PRO 165 165 30877 1 . LEU 166 166 30877 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 30877 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . CFL2 . 30877 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 30877 _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' . . 562 Escherichia coli . . . . . . . . . . 30877 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30877 _Sample.ID 1 _Sample.Name . _Sample.Type solid _Sample.Sub_type . _Sample.Details '20.8 % w/w [U-13C; U-15N] human cofilin-2, 79.2 % w/w NA-actin F-actin, solid' _Sample.Aggregate_sample_number . _Sample.Solvent_system solid _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 'human cofilin-2' '[U-13C; U-15N]' . . 1 $entity_1 . . 20.8 . . '% w/w' . . . . 30877 1 2 F-actin NA-actin . . . . . . 79.2 . . '% w/w' . . . . 30877 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30877 _Sample.ID 2 _Sample.Name . _Sample.Type solid _Sample.Sub_type . _Sample.Details '20.8 % w/w [1,6-13C]-glucose, U-15N human cofilin-2, 79.2 % w/w NA-actin F-actin, solid' _Sample.Aggregate_sample_number . _Sample.Solvent_system solid _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 'human cofilin-2' '[1,6-13C]-glucose, U-15N' . . 1 $entity_1 . . 20.8 . . '% w/w' . . . . 30877 2 2 F-actin NA-actin . . . . . . 79.2 . . '% w/w' . . . . 30877 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30877 _Sample.ID 3 _Sample.Name . _Sample.Type solid _Sample.Sub_type . _Sample.Details '20.8 % w/w [2-13C]-glucose, U-15N human cofilin-2, 79.2 % w/w NA-actin F-actin, solid' _Sample.Aggregate_sample_number . _Sample.Solvent_system solid _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 'human cofilin-2' '[2-13C]-glucose, U-15N' . . 1 $entity_1 . . 20.8 . . '% w/w' . . . . 30877 3 2 F-actin NA-actin . . . . . . 79.2 . . '% w/w' . . . . 30877 3 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 30877 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 50 . mM 30877 1 pH 6.6 . pH 30877 1 pressure 1 . atm 30877 1 temperature 273 . K 30877 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30877 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30877 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 30877 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30877 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30877 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 30877 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30877 _Software.ID 3 _Software.Type . _Software.Name 'Rowland NMR Toolkit (RNMRTK)' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Hoch and Stern' . . 30877 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 30877 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30877 _Software.ID 4 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 30877 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30877 4 'peak picking' . 30877 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30877 _Software.ID 5 _Software.Type . _Software.Name TALOS-N _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 30877 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 30877 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30877 _Software.ID 6 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30877 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30877 6 'structure calculation' . 30877 6 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 30877 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30877 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 850 . . . 30877 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 30877 _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 Exp1_CORD50ms no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30877 1 2 Exp2_CORD200ms no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30877 1 3 Exp3_CORD50ms no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30877 1 4 Exp4_CORD200ms no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30877 1 5 Exp5_CORD500ms no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30877 1 6 Exp6_CORD50ms no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30877 1 7 Exp7_CORD200ms no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30877 1 8 Exp8_CORD500ms no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30877 1 9 Exp9_PAINCP no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30877 1 10 Exp10_NCACX2d no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30877 1 11 Exp11_NCACX3d no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30877 1 12 Exp12_NCOCX2d no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30877 1 13 Exp13_NCOCX3d no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30877 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 30877 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 adamantane 'methylene carbons' . . . . ppm 40.8 external direct 1 . . . . . 30877 1 N 15 '[15N] ammonium chloride' nitrogen . . . . ppm 39.2 external direct 1 . . . . . 30877 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 30877 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 Exp1_CORD50ms . . . 30877 1 2 Exp2_CORD200ms . . . 30877 1 3 Exp3_CORD50ms . . . 30877 1 4 Exp4_CORD200ms . . . 30877 1 5 Exp5_CORD500ms . . . 30877 1 6 Exp6_CORD50ms . . . 30877 1 7 Exp7_CORD200ms . . . 30877 1 8 Exp8_CORD500ms . . . 30877 1 9 Exp9_PAINCP . . . 30877 1 10 Exp10_NCACX2d . . . 30877 1 11 Exp11_NCACX3d . . . 30877 1 12 Exp12_NCOCX2d . . . 30877 1 13 Exp13_NCOCX3d . . . 30877 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 ALA C C 13 175.478 0.064 . 1 . . 662 . A 2 ALA C . 30877 1 2 . 1 . 1 2 2 ALA CA C 13 52.727 0.17 . 1 . . 659 . A 2 ALA CA . 30877 1 3 . 1 . 1 2 2 ALA CB C 13 18.707 0.087 . 1 . . 661 . A 2 ALA CB . 30877 1 4 . 1 . 1 2 2 ALA N N 15 121.086 . . 1 . . 660 . A 2 ALA N . 30877 1 5 . 1 . 1 3 3 SER C C 13 174.635 0.007 . 1 . . 241 . A 3 SER C . 30877 1 6 . 1 . 1 3 3 SER CA C 13 58.176 0.063 . 1 . . 238 . A 3 SER CA . 30877 1 7 . 1 . 1 3 3 SER CB C 13 63.933 0.078 . 1 . . 240 . A 3 SER CB . 30877 1 8 . 1 . 1 3 3 SER N N 15 111.282 0.103 . 1 . . 239 . A 3 SER N . 30877 1 9 . 1 . 1 4 4 GLY C C 13 173.290 0.006 . 1 . . 244 . A 4 GLY C . 30877 1 10 . 1 . 1 4 4 GLY CA C 13 45.002 0.145 . 1 . . 243 . A 4 GLY CA . 30877 1 11 . 1 . 1 4 4 GLY N N 15 111.596 0.042 . 1 . . 242 . A 4 GLY N . 30877 1 12 . 1 . 1 5 5 VAL C C 13 175.776 0.172 . 1 . . 482 . A 5 VAL C . 30877 1 13 . 1 . 1 5 5 VAL CA C 13 63.602 0.126 . 1 . . 399 . A 5 VAL CA . 30877 1 14 . 1 . 1 5 5 VAL CB C 13 32.532 0.134 . 1 . . 400 . A 5 VAL CB . 30877 1 15 . 1 . 1 5 5 VAL CG1 C 13 22.158 0.077 . 2 . . 401 . A 5 VAL CG1 . 30877 1 16 . 1 . 1 5 5 VAL CG2 C 13 21.098 0.121 . 2 . . 762 . A 5 VAL CG2 . 30877 1 17 . 1 . 1 5 5 VAL N N 15 124.477 0.099 . 1 . . 398 . A 5 VAL N . 30877 1 18 . 1 . 1 6 6 THR C C 13 173.117 0.142 . 1 . . 486 . A 6 THR C . 30877 1 19 . 1 . 1 6 6 THR CA C 13 59.541 0.101 . 1 . . 484 . A 6 THR CA . 30877 1 20 . 1 . 1 6 6 THR CB C 13 71.110 0.138 . 1 . . 485 . A 6 THR CB . 30877 1 21 . 1 . 1 6 6 THR CG2 C 13 21.506 0.106 . 1 . . 487 . A 6 THR CG2 . 30877 1 22 . 1 . 1 6 6 THR N N 15 117.122 0.086 . 1 . . 483 . A 6 THR N . 30877 1 23 . 1 . 1 7 7 VAL C C 13 174.864 0.039 . 1 . . 339 . A 7 VAL C . 30877 1 24 . 1 . 1 7 7 VAL CA C 13 61.175 0.127 . 1 . . 335 . A 7 VAL CA . 30877 1 25 . 1 . 1 7 7 VAL CB C 13 32.273 0.095 . 1 . . 337 . A 7 VAL CB . 30877 1 26 . 1 . 1 7 7 VAL CG1 C 13 21.629 0.113 . 1 . . 338 . A 7 VAL CG1 . 30877 1 27 . 1 . 1 7 7 VAL N N 15 120.024 0.062 . 1 . . 336 . A 7 VAL N . 30877 1 28 . 1 . 1 8 8 ASN C C 13 175.896 0.055 . 1 . . 332 . A 8 ASN C . 30877 1 29 . 1 . 1 8 8 ASN CA C 13 54.675 0.071 . 1 . . 329 . A 8 ASN CA . 30877 1 30 . 1 . 1 8 8 ASN CB C 13 41.723 0.113 . 1 . . 331 . A 8 ASN CB . 30877 1 31 . 1 . 1 8 8 ASN CG C 13 176.433 0.11 . 1 . . 334 . A 8 ASN CG . 30877 1 32 . 1 . 1 8 8 ASN N N 15 127.927 0.142 . 1 . . 330 . A 8 ASN N . 30877 1 33 . 1 . 1 9 9 ASP C C 13 177.013 0.027 . 1 . . 342 . A 9 ASP C . 30877 1 34 . 1 . 1 9 9 ASP CA C 13 57.760 0.117 . 1 . . 340 . A 9 ASP CA . 30877 1 35 . 1 . 1 9 9 ASP CB C 13 40.435 0.094 . 1 . . 341 . A 9 ASP CB . 30877 1 36 . 1 . 1 9 9 ASP CG C 13 179.270 0.122 . 1 . . 344 . A 9 ASP CG . 30877 1 37 . 1 . 1 9 9 ASP N N 15 126.417 0.073 . 1 . . 333 . A 9 ASP N . 30877 1 38 . 1 . 1 10 10 GLU C C 13 178.319 0.019 . 1 . . 349 . A 10 GLU C . 30877 1 39 . 1 . 1 10 10 GLU CA C 13 57.629 0.098 . 1 . . 347 . A 10 GLU CA . 30877 1 40 . 1 . 1 10 10 GLU CB C 13 32.106 0.099 . 1 . . 345 . A 10 GLU CB . 30877 1 41 . 1 . 1 10 10 GLU CG C 13 34.546 0.093 . 1 . . 346 . A 10 GLU CG . 30877 1 42 . 1 . 1 10 10 GLU N N 15 118.974 0.095 . 1 . . 343 . A 10 GLU N . 30877 1 43 . 1 . 1 11 11 VAL C C 13 176.675 0.064 . 1 . . 246 . A 11 VAL C . 30877 1 44 . 1 . 1 11 11 VAL CA C 13 65.799 0.1 . 1 . . 245 . A 11 VAL CA . 30877 1 45 . 1 . 1 11 11 VAL CB C 13 31.032 0.143 . 1 . . 247 . A 11 VAL CB . 30877 1 46 . 1 . 1 11 11 VAL CG1 C 13 20.350 0.087 . 2 . . 248 . A 11 VAL CG1 . 30877 1 47 . 1 . 1 11 11 VAL CG2 C 13 23.585 0.076 . 2 . . 883 . A 11 VAL CG2 . 30877 1 48 . 1 . 1 11 11 VAL N N 15 120.230 0.146 . 1 . . 249 . A 11 VAL N . 30877 1 49 . 1 . 1 12 12 ILE C C 13 177.409 0.052 . 1 . . 202 . A 12 ILE C . 30877 1 50 . 1 . 1 12 12 ILE CA C 13 63.817 0.125 . 1 . . 197 . A 12 ILE CA . 30877 1 51 . 1 . 1 12 12 ILE CB C 13 37.358 0.099 . 1 . . 199 . A 12 ILE CB . 30877 1 52 . 1 . 1 12 12 ILE CG1 C 13 28.878 0.088 . 1 . . 200 . A 12 ILE CG1 . 30877 1 53 . 1 . 1 12 12 ILE CG2 C 13 17.893 0.151 . 1 . . 201 . A 12 ILE CG2 . 30877 1 54 . 1 . 1 12 12 ILE CD1 C 13 12.582 0.112 . 1 . . 900 . A 12 ILE CD1 . 30877 1 55 . 1 . 1 12 12 ILE N N 15 118.551 0.133 . 1 . . 198 . A 12 ILE N . 30877 1 56 . 1 . 1 13 13 LYS C C 13 178.385 0.081 . 1 . . 207 . A 13 LYS C . 30877 1 57 . 1 . 1 13 13 LYS CA C 13 59.769 0.128 . 1 . . 204 . A 13 LYS CA . 30877 1 58 . 1 . 1 13 13 LYS CB C 13 32.242 0.113 . 1 . . 205 . A 13 LYS CB . 30877 1 59 . 1 . 1 13 13 LYS CG C 13 24.812 0.092 . 1 . . 206 . A 13 LYS CG . 30877 1 60 . 1 . 1 13 13 LYS CD C 13 29.125 0.062 . 1 . . 574 . A 13 LYS CD . 30877 1 61 . 1 . 1 13 13 LYS CE C 13 41.859 0.065 . 1 . . 573 . A 13 LYS CE . 30877 1 62 . 1 . 1 13 13 LYS N N 15 122.148 0.119 . 1 . . 203 . A 13 LYS N . 30877 1 63 . 1 . 1 14 14 VAL C C 13 178.357 0.028 . 1 . . 491 . A 14 VAL C . 30877 1 64 . 1 . 1 14 14 VAL CA C 13 65.976 0.132 . 1 . . 488 . A 14 VAL CA . 30877 1 65 . 1 . 1 14 14 VAL CB C 13 31.190 0.085 . 1 . . 490 . A 14 VAL CB . 30877 1 66 . 1 . 1 14 14 VAL CG1 C 13 24.575 0.035 . 2 . . 901 . A 14 VAL CG1 . 30877 1 67 . 1 . 1 14 14 VAL CG2 C 13 22.954 0.116 . 2 . . 902 . A 14 VAL CG2 . 30877 1 68 . 1 . 1 14 14 VAL N N 15 119.942 0.112 . 1 . . 489 . A 14 VAL N . 30877 1 69 . 1 . 1 15 15 PHE C C 13 175.737 . . 1 . . 656 . A 15 PHE C . 30877 1 70 . 1 . 1 15 15 PHE CA C 13 61.222 0.127 . 1 . . 494 . A 15 PHE CA . 30877 1 71 . 1 . 1 15 15 PHE CB C 13 38.926 0.108 . 1 . . 493 . A 15 PHE CB . 30877 1 72 . 1 . 1 15 15 PHE CG C 13 137.915 0.136 . 1 . . 501 . A 15 PHE CG . 30877 1 73 . 1 . 1 15 15 PHE CD1 C 13 130.187 0.128 . 1 . . 553 . A 15 PHE CD1 . 30877 1 74 . 1 . 1 15 15 PHE CD2 C 13 130.187 0.128 . 1 . . 553 . A 15 PHE CD2 . 30877 1 75 . 1 . 1 15 15 PHE CE1 C 13 131.054 0.154 . 1 . . 766 . A 15 PHE CE1 . 30877 1 76 . 1 . 1 15 15 PHE CE2 C 13 131.054 0.154 . 1 . . 766 . A 15 PHE CE2 . 30877 1 77 . 1 . 1 15 15 PHE N N 15 120.792 0.092 . 1 . . 492 . A 15 PHE N . 30877 1 78 . 1 . 1 16 16 ASN C C 13 177.953 0.096 . 1 . . 861 . A 16 ASN C . 30877 1 79 . 1 . 1 16 16 ASN CA C 13 56.621 0.079 . 1 . . 857 . A 16 ASN CA . 30877 1 80 . 1 . 1 16 16 ASN CB C 13 38.358 0.113 . 1 . . 858 . A 16 ASN CB . 30877 1 81 . 1 . 1 16 16 ASN CG C 13 176.188 0.12 . 1 . . 862 . A 16 ASN CG . 30877 1 82 . 1 . 1 16 16 ASN N N 15 119.334 0.596 . 1 . . 655 . A 16 ASN N . 30877 1 83 . 1 . 1 17 17 ASP C C 13 178.257 0.01 . 1 . . 865 . A 17 ASP C . 30877 1 84 . 1 . 1 17 17 ASP CA C 13 56.103 0.067 . 1 . . 863 . A 17 ASP CA . 30877 1 85 . 1 . 1 17 17 ASP CB C 13 40.326 0.111 . 1 . . 864 . A 17 ASP CB . 30877 1 86 . 1 . 1 17 17 ASP CG C 13 179.311 0.021 . 1 . . 866 . A 17 ASP CG . 30877 1 87 . 1 . 1 17 17 ASP N N 15 120.947 0.105 . 1 . . 860 . A 17 ASP N . 30877 1 88 . 1 . 1 18 18 MET C C 13 178.385 . . 1 . . 871 . A 18 MET C . 30877 1 89 . 1 . 1 18 18 MET CA C 13 58.688 0.073 . 1 . . 870 . A 18 MET CA . 30877 1 90 . 1 . 1 18 18 MET CB C 13 33.710 0.098 . 1 . . 868 . A 18 MET CB . 30877 1 91 . 1 . 1 18 18 MET CE C 13 18.433 0.067 . 1 . . 869 . A 18 MET CE . 30877 1 92 . 1 . 1 18 18 MET N N 15 121.250 0.533 . 1 . . 867 . A 18 MET N . 30877 1 93 . 1 . 1 19 19 LYS CA C 13 56.991 0.077 . 1 . . 649 . A 19 LYS CA . 30877 1 94 . 1 . 1 19 19 LYS CB C 13 32.201 0.094 . 1 . . 650 . A 19 LYS CB . 30877 1 95 . 1 . 1 19 19 LYS CG C 13 25.418 0.083 . 1 . . 651 . A 19 LYS CG . 30877 1 96 . 1 . 1 19 19 LYS CD C 13 29.172 0.077 . 1 . . 652 . A 19 LYS CD . 30877 1 97 . 1 . 1 19 19 LYS CE C 13 41.909 0.122 . 1 . . 653 . A 19 LYS CE . 30877 1 98 . 1 . 1 20 20 VAL C C 13 174.299 0.182 . 1 . . 413 . A 20 VAL C . 30877 1 99 . 1 . 1 20 20 VAL CA C 13 62.031 0.127 . 1 . . 410 . A 20 VAL CA . 30877 1 100 . 1 . 1 20 20 VAL CB C 13 32.378 0.15 . 1 . . 409 . A 20 VAL CB . 30877 1 101 . 1 . 1 20 20 VAL CG1 C 13 21.974 0.094 . 2 . . 411 . A 20 VAL CG1 . 30877 1 102 . 1 . 1 20 20 VAL CG2 C 13 20.821 0.121 . 2 . . 412 . A 20 VAL CG2 . 30877 1 103 . 1 . 1 20 20 VAL N N 15 115.615 0.101 . 1 . . 408 . A 20 VAL N . 30877 1 104 . 1 . 1 21 21 ARG C C 13 176.560 . . 1 . . 462 . A 21 ARG C . 30877 1 105 . 1 . 1 21 21 ARG CA C 13 56.944 0.096 . 1 . . 415 . A 21 ARG CA . 30877 1 106 . 1 . 1 21 21 ARG CB C 13 29.705 0.089 . 1 . . 903 . A 21 ARG CB . 30877 1 107 . 1 . 1 21 21 ARG CG C 13 27.547 0.09 . 1 . . 905 . A 21 ARG CG . 30877 1 108 . 1 . 1 21 21 ARG CD C 13 43.248 0.068 . 1 . . 904 . A 21 ARG CD . 30877 1 109 . 1 . 1 21 21 ARG CZ C 13 159.182 0.122 . 1 . . 906 . A 21 ARG CZ . 30877 1 110 . 1 . 1 21 21 ARG N N 15 130.639 0.126 . 1 . . 414 . A 21 ARG N . 30877 1 111 . 1 . 1 22 22 LYS C C 13 177.824 0.038 . 1 . . 466 . A 22 LYS C . 30877 1 112 . 1 . 1 22 22 LYS CA C 13 56.648 0.075 . 1 . . 465 . A 22 LYS CA . 30877 1 113 . 1 . 1 22 22 LYS CB C 13 32.402 0.086 . 1 . . 464 . A 22 LYS CB . 30877 1 114 . 1 . 1 22 22 LYS CG C 13 25.568 0.105 . 1 . . 922 . A 22 LYS CG . 30877 1 115 . 1 . 1 22 22 LYS CD C 13 29.130 0.099 . 1 . . 923 . A 22 LYS CD . 30877 1 116 . 1 . 1 22 22 LYS CE C 13 41.992 0.053 . 1 . . 924 . A 22 LYS CE . 30877 1 117 . 1 . 1 22 22 LYS N N 15 124.781 0.007 . 1 . . 463 . A 22 LYS N . 30877 1 118 . 1 . 1 23 23 SER C C 13 178.049 . . 1 . . 470 . A 23 SER C . 30877 1 119 . 1 . 1 23 23 SER CA C 13 57.803 0.073 . 1 . . 468 . A 23 SER CA . 30877 1 120 . 1 . 1 23 23 SER CB C 13 67.324 0.131 . 1 . . 469 . A 23 SER CB . 30877 1 121 . 1 . 1 23 23 SER N N 15 122.871 0.167 . 1 . . 467 . A 23 SER N . 30877 1 122 . 1 . 1 24 24 SER C C 13 174.465 . . 1 . . 875 . A 24 SER C . 30877 1 123 . 1 . 1 24 24 SER CA C 13 59.717 0.086 . 1 . . 873 . A 24 SER CA . 30877 1 124 . 1 . 1 24 24 SER CB C 13 62.302 0.067 . 1 . . 874 . A 24 SER CB . 30877 1 125 . 1 . 1 24 24 SER N N 15 121.967 0.213 . 1 . . 872 . A 24 SER N . 30877 1 126 . 1 . 1 25 25 THR C C 13 175.621 0.118 . 1 . . 797 . A 25 THR C . 30877 1 127 . 1 . 1 25 25 THR CA C 13 61.786 0.103 . 1 . . 796 . A 25 THR CA . 30877 1 128 . 1 . 1 25 25 THR CB C 13 69.474 0.113 . 1 . . 799 . A 25 THR CB . 30877 1 129 . 1 . 1 25 25 THR CG2 C 13 22.131 0.128 . 1 . . 798 . A 25 THR CG2 . 30877 1 130 . 1 . 1 25 25 THR N N 15 114.456 0.056 . 1 . . 800 . A 25 THR N . 30877 1 131 . 1 . 1 26 26 GLN C C 13 176.727 0.044 . 1 . . 795 . A 26 GLN C . 30877 1 132 . 1 . 1 26 26 GLN CA C 13 56.667 0.127 . 1 . . 791 . A 26 GLN CA . 30877 1 133 . 1 . 1 26 26 GLN CB C 13 30.881 0.056 . 1 . . 792 . A 26 GLN CB . 30877 1 134 . 1 . 1 26 26 GLN CG C 13 32.645 0.1 . 1 . . 793 . A 26 GLN CG . 30877 1 135 . 1 . 1 26 26 GLN CD C 13 180.018 0.039 . 1 . . 794 . A 26 GLN CD . 30877 1 136 . 1 . 1 26 26 GLN N N 15 114.432 0.506 . 1 . . 790 . A 26 GLN N . 30877 1 137 . 1 . 1 27 27 GLU C C 13 178.309 0.135 . 1 . . 787 . A 27 GLU C . 30877 1 138 . 1 . 1 27 27 GLU CA C 13 59.081 0.097 . 1 . . 785 . A 27 GLU CA . 30877 1 139 . 1 . 1 27 27 GLU CB C 13 29.094 0.045 . 1 . . 786 . A 27 GLU CB . 30877 1 140 . 1 . 1 27 27 GLU CG C 13 34.447 0.072 . 1 . . 788 . A 27 GLU CG . 30877 1 141 . 1 . 1 27 27 GLU CD C 13 183.155 0.073 . 1 . . 789 . A 27 GLU CD . 30877 1 142 . 1 . 1 27 27 GLU N N 15 118.557 0.094 . 1 . . 784 . A 27 GLU N . 30877 1 143 . 1 . 1 28 28 GLU C C 13 180.214 0.172 . 1 . . 783 . A 28 GLU C . 30877 1 144 . 1 . 1 28 28 GLU CA C 13 58.466 0.123 . 1 . . 780 . A 28 GLU CA . 30877 1 145 . 1 . 1 28 28 GLU CB C 13 29.310 0.128 . 1 . . 781 . A 28 GLU CB . 30877 1 146 . 1 . 1 28 28 GLU CG C 13 36.809 0.066 . 1 . . 782 . A 28 GLU CG . 30877 1 147 . 1 . 1 28 28 GLU N N 15 119.753 0.163 . 1 . . 779 . A 28 GLU N . 30877 1 148 . 1 . 1 29 29 ILE C C 13 177.374 0.145 . 1 . . 383 . A 29 ILE C . 30877 1 149 . 1 . 1 29 29 ILE CA C 13 65.637 0.099 . 1 . . 378 . A 29 ILE CA . 30877 1 150 . 1 . 1 29 29 ILE CB C 13 37.404 0.105 . 1 . . 379 . A 29 ILE CB . 30877 1 151 . 1 . 1 29 29 ILE CG1 C 13 29.550 0.116 . 1 . . 380 . A 29 ILE CG1 . 30877 1 152 . 1 . 1 29 29 ILE CG2 C 13 16.807 0.105 . 1 . . 381 . A 29 ILE CG2 . 30877 1 153 . 1 . 1 29 29 ILE CD1 C 13 12.891 0.131 . 1 . . 382 . A 29 ILE CD1 . 30877 1 154 . 1 . 1 29 29 ILE N N 15 124.535 0.14 . 1 . . 377 . A 29 ILE N . 30877 1 155 . 1 . 1 30 30 LYS C C 13 178.315 0.071 . 1 . . 387 . A 30 LYS C . 30877 1 156 . 1 . 1 30 30 LYS CA C 13 58.892 0.148 . 1 . . 385 . A 30 LYS CA . 30877 1 157 . 1 . 1 30 30 LYS CB C 13 32.491 0.123 . 1 . . 386 . A 30 LYS CB . 30877 1 158 . 1 . 1 30 30 LYS CG C 13 25.256 0.13 . 1 . . 641 . A 30 LYS CG . 30877 1 159 . 1 . 1 30 30 LYS CD C 13 29.054 0.083 . 1 . . 642 . A 30 LYS CD . 30877 1 160 . 1 . 1 30 30 LYS CE C 13 41.736 0.097 . 1 . . 640 . A 30 LYS CE . 30877 1 161 . 1 . 1 30 30 LYS N N 15 115.837 0.135 . 1 . . 384 . A 30 LYS N . 30877 1 162 . 1 . 1 31 31 LYS C C 13 175.811 0.059 . 1 . . 802 . A 31 LYS C . 30877 1 163 . 1 . 1 31 31 LYS CA C 13 55.743 0.155 . 1 . . 801 . A 31 LYS CA . 30877 1 164 . 1 . 1 31 31 LYS CB C 13 32.500 0.043 . 1 . . 803 . A 31 LYS CB . 30877 1 165 . 1 . 1 31 31 LYS CG C 13 25.735 0.115 . 1 . . 806 . A 31 LYS CG . 30877 1 166 . 1 . 1 31 31 LYS CD C 13 28.850 0.124 . 1 . . 805 . A 31 LYS CD . 30877 1 167 . 1 . 1 31 31 LYS N N 15 117.297 0.12 . 1 . . 804 . A 31 LYS N . 30877 1 168 . 1 . 1 32 32 ARG CA C 13 56.927 0.162 . 1 . . 892 . A 32 ARG CA . 30877 1 169 . 1 . 1 32 32 ARG CB C 13 30.877 0.093 . 1 . . 323 . A 32 ARG CB . 30877 1 170 . 1 . 1 32 32 ARG CG C 13 28.488 0.049 . 1 . . 890 . A 32 ARG CG . 30877 1 171 . 1 . 1 32 32 ARG CD C 13 43.026 0.075 . 1 . . 889 . A 32 ARG CD . 30877 1 172 . 1 . 1 32 32 ARG CZ C 13 154.962 . . 1 . . 891 . A 32 ARG CZ . 30877 1 173 . 1 . 1 32 32 ARG N N 15 122.048 0.153 . 1 . . 322 . A 32 ARG N . 30877 1 174 . 1 . 1 33 33 LYS C C 13 175.434 0.064 . 1 . . 318 . A 33 LYS C . 30877 1 175 . 1 . 1 33 33 LYS CA C 13 56.639 0.119 . 1 . . 314 . A 33 LYS CA . 30877 1 176 . 1 . 1 33 33 LYS CB C 13 32.300 0.103 . 1 . . 316 . A 33 LYS CB . 30877 1 177 . 1 . 1 33 33 LYS CG C 13 25.450 0.08 . 1 . . 317 . A 33 LYS CG . 30877 1 178 . 1 . 1 33 33 LYS CD C 13 28.608 0.118 . 1 . . 807 . A 33 LYS CD . 30877 1 179 . 1 . 1 33 33 LYS CE C 13 41.940 0.106 . 1 . . 808 . A 33 LYS CE . 30877 1 180 . 1 . 1 33 33 LYS N N 15 122.520 0.178 . 1 . . 315 . A 33 LYS N . 30877 1 181 . 1 . 1 34 34 LYS C C 13 173.528 . . 1 . . 926 . A 34 LYS C . 30877 1 182 . 1 . 1 34 34 LYS CA C 13 54.480 0.127 . 1 . . 320 . A 34 LYS CA . 30877 1 183 . 1 . 1 34 34 LYS CB C 13 34.589 0.114 . 1 . . 925 . A 34 LYS CB . 30877 1 184 . 1 . 1 34 34 LYS CG C 13 24.390 0.122 . 1 . . 321 . A 34 LYS CG . 30877 1 185 . 1 . 1 34 34 LYS CD C 13 28.539 0.011 . 1 . . 927 . A 34 LYS CD . 30877 1 186 . 1 . 1 34 34 LYS N N 15 126.711 0.146 . 1 . . 319 . A 34 LYS N . 30877 1 187 . 1 . 1 35 35 ALA C C 13 175.176 0.067 . 1 . . 129 . A 35 ALA C . 30877 1 188 . 1 . 1 35 35 ALA CA C 13 50.893 0.13 . 1 . . 126 . A 35 ALA CA . 30877 1 189 . 1 . 1 35 35 ALA CB C 13 23.303 0.073 . 1 . . 127 . A 35 ALA CB . 30877 1 190 . 1 . 1 35 35 ALA N N 15 117.340 0.033 . 1 . . 128 . A 35 ALA N . 30877 1 191 . 1 . 1 36 36 VAL C C 13 171.651 0.107 . 1 . . 134 . A 36 VAL C . 30877 1 192 . 1 . 1 36 36 VAL CA C 13 60.437 0.113 . 1 . . 131 . A 36 VAL CA . 30877 1 193 . 1 . 1 36 36 VAL CB C 13 35.158 0.12 . 1 . . 132 . A 36 VAL CB . 30877 1 194 . 1 . 1 36 36 VAL CG1 C 13 21.530 0.129 . 1 . . 133 . A 36 VAL CG1 . 30877 1 195 . 1 . 1 36 36 VAL N N 15 117.758 0.067 . 1 . . 130 . A 36 VAL N . 30877 1 196 . 1 . 1 37 37 LEU C C 13 174.787 0.059 . 1 . . 139 . A 37 LEU C . 30877 1 197 . 1 . 1 37 37 LEU CA C 13 54.169 0.137 . 1 . . 136 . A 37 LEU CA . 30877 1 198 . 1 . 1 37 37 LEU CB C 13 44.640 0.125 . 1 . . 137 . A 37 LEU CB . 30877 1 199 . 1 . 1 37 37 LEU CG C 13 30.130 0.116 . 1 . . 138 . A 37 LEU CG . 30877 1 200 . 1 . 1 37 37 LEU CD1 C 13 24.364 0.093 . 2 . . 371 . A 37 LEU CD1 . 30877 1 201 . 1 . 1 37 37 LEU CD2 C 13 26.110 0.067 . 2 . . 810 . A 37 LEU CD2 . 30877 1 202 . 1 . 1 37 37 LEU N N 15 126.006 0.169 . 1 . . 135 . A 37 LEU N . 30877 1 203 . 1 . 1 38 38 PHE C C 13 174.272 0.01 . 1 . . 356 . A 38 PHE C . 30877 1 204 . 1 . 1 38 38 PHE CA C 13 55.570 0.125 . 1 . . 353 . A 38 PHE CA . 30877 1 205 . 1 . 1 38 38 PHE CB C 13 41.465 0.08 . 1 . . 354 . A 38 PHE CB . 30877 1 206 . 1 . 1 38 38 PHE CG C 13 139.635 0.124 . 1 . . 355 . A 38 PHE CG . 30877 1 207 . 1 . 1 38 38 PHE CD1 C 13 132.821 0.153 . 1 . . 495 . A 38 PHE CD1 . 30877 1 208 . 1 . 1 38 38 PHE CD2 C 13 132.821 0.153 . 1 . . 495 . A 38 PHE CD2 . 30877 1 209 . 1 . 1 38 38 PHE CE1 C 13 129.622 0.161 . 1 . . 500 . A 38 PHE CE1 . 30877 1 210 . 1 . 1 38 38 PHE CE2 C 13 129.622 0.161 . 1 . . 500 . A 38 PHE CE2 . 30877 1 211 . 1 . 1 38 38 PHE CZ C 13 127.539 0.111 . 1 . . 809 . A 38 PHE CZ . 30877 1 212 . 1 . 1 38 38 PHE N N 15 117.637 0.157 . 1 . . 140 . A 38 PHE N . 30877 1 213 . 1 . 1 39 39 CYS C C 13 171.991 0.086 . 1 . . 120 . A 39 CYS C . 30877 1 214 . 1 . 1 39 39 CYS CA C 13 53.917 0.107 . 1 . . 117 . A 39 CYS CA . 30877 1 215 . 1 . 1 39 39 CYS CB C 13 32.839 0.074 . 1 . . 118 . A 39 CYS CB . 30877 1 216 . 1 . 1 39 39 CYS N N 15 118.342 0.136 . 1 . . 119 . A 39 CYS N . 30877 1 217 . 1 . 1 40 40 LEU C C 13 177.430 0.076 . 1 . . 116 . A 40 LEU C . 30877 1 218 . 1 . 1 40 40 LEU CA C 13 55.372 0.128 . 1 . . 112 . A 40 LEU CA . 30877 1 219 . 1 . 1 40 40 LEU CB C 13 42.801 0.047 . 1 . . 113 . A 40 LEU CB . 30877 1 220 . 1 . 1 40 40 LEU CG C 13 25.171 0.066 . 1 . . 115 . A 40 LEU CG . 30877 1 221 . 1 . 1 40 40 LEU CD1 C 13 22.198 0.07 . 1 . . 654 . A 40 LEU CD1 . 30877 1 222 . 1 . 1 40 40 LEU N N 15 118.824 0.123 . 1 . . 114 . A 40 LEU N . 30877 1 223 . 1 . 1 41 41 SER C C 13 176.529 0.111 . 1 . . 90 . A 41 SER C . 30877 1 224 . 1 . 1 41 41 SER CA C 13 58.008 0.109 . 1 . . 87 . A 41 SER CA . 30877 1 225 . 1 . 1 41 41 SER CB C 13 63.919 0.096 . 1 . . 88 . A 41 SER CB . 30877 1 226 . 1 . 1 41 41 SER N N 15 118.636 0.145 . 1 . . 89 . A 41 SER N . 30877 1 227 . 1 . 1 42 42 ASP C C 13 177.218 . . 1 . . 453 . A 42 ASP C . 30877 1 228 . 1 . 1 42 42 ASP CA C 13 57.746 0.097 . 1 . . 879 . A 42 ASP CA . 30877 1 229 . 1 . 1 42 42 ASP CB C 13 39.691 0.097 . 1 . . 880 . A 42 ASP CB . 30877 1 230 . 1 . 1 42 42 ASP CG C 13 179.267 . . 1 . . 454 . A 42 ASP CG . 30877 1 231 . 1 . 1 42 42 ASP N N 15 126.062 0.173 . 1 . . 91 . A 42 ASP N . 30877 1 232 . 1 . 1 43 43 ASP C C 13 175.497 0.08 . 1 . . 192 . A 43 ASP C . 30877 1 233 . 1 . 1 43 43 ASP CA C 13 52.871 0.091 . 1 . . 188 . A 43 ASP CA . 30877 1 234 . 1 . 1 43 43 ASP CB C 13 39.490 0.086 . 1 . . 190 . A 43 ASP CB . 30877 1 235 . 1 . 1 43 43 ASP CG C 13 179.562 0.064 . 1 . . 191 . A 43 ASP CG . 30877 1 236 . 1 . 1 43 43 ASP N N 15 116.508 0.031 . 1 . . 189 . A 43 ASP N . 30877 1 237 . 1 . 1 44 44 LYS C C 13 174.135 0.052 . 1 . . 456 . A 44 LYS C . 30877 1 238 . 1 . 1 44 44 LYS CA C 13 57.586 0.088 . 1 . . 194 . A 44 LYS CA . 30877 1 239 . 1 . 1 44 44 LYS CB C 13 28.884 0.12 . 1 . . 195 . A 44 LYS CB . 30877 1 240 . 1 . 1 44 44 LYS CG C 13 25.289 0.126 . 1 . . 196 . A 44 LYS CG . 30877 1 241 . 1 . 1 44 44 LYS CD C 13 28.510 0.014 . 1 . . 608 . A 44 LYS CD . 30877 1 242 . 1 . 1 44 44 LYS CE C 13 42.208 0.087 . 1 . . 811 . A 44 LYS CE . 30877 1 243 . 1 . 1 44 44 LYS N N 15 113.956 0.118 . 1 . . 193 . A 44 LYS N . 30877 1 244 . 1 . 1 45 45 ARG C C 13 177.020 0.089 . 1 . . 459 . A 45 ARG C . 30877 1 245 . 1 . 1 45 45 ARG CA C 13 56.734 0.09 . 1 . . 457 . A 45 ARG CA . 30877 1 246 . 1 . 1 45 45 ARG CB C 13 32.355 0.102 . 1 . . 458 . A 45 ARG CB . 30877 1 247 . 1 . 1 45 45 ARG CG C 13 26.200 0.096 . 1 . . 751 . A 45 ARG CG . 30877 1 248 . 1 . 1 45 45 ARG N N 15 115.490 0.164 . 1 . . 455 . A 45 ARG N . 30877 1 249 . 1 . 1 46 46 GLN C C 13 173.887 0.006 . 1 . . 815 . A 46 GLN C . 30877 1 250 . 1 . 1 46 46 GLN CA C 13 53.237 0.131 . 1 . . 814 . A 46 GLN CA . 30877 1 251 . 1 . 1 46 46 GLN CB C 13 34.298 0.093 . 1 . . 813 . A 46 GLN CB . 30877 1 252 . 1 . 1 46 46 GLN CD C 13 179.298 0.002 . 1 . . 816 . A 46 GLN CD . 30877 1 253 . 1 . 1 46 46 GLN N N 15 115.820 0.092 . 1 . . 812 . A 46 GLN N . 30877 1 254 . 1 . 1 47 47 ILE C C 13 173.970 0.036 . 1 . . 547 . A 47 ILE C . 30877 1 255 . 1 . 1 47 47 ILE CA C 13 60.215 0.073 . 1 . . 545 . A 47 ILE CA . 30877 1 256 . 1 . 1 47 47 ILE CB C 13 39.116 0.124 . 1 . . 546 . A 47 ILE CB . 30877 1 257 . 1 . 1 47 47 ILE CG1 C 13 27.838 0.087 . 1 . . 648 . A 47 ILE CG1 . 30877 1 258 . 1 . 1 47 47 ILE CG2 C 13 19.041 0.118 . 1 . . 549 . A 47 ILE CG2 . 30877 1 259 . 1 . 1 47 47 ILE CD1 C 13 13.733 0.152 . 1 . . 550 . A 47 ILE CD1 . 30877 1 260 . 1 . 1 47 47 ILE N N 15 122.533 0.11 . 1 . . 548 . A 47 ILE N . 30877 1 261 . 1 . 1 48 48 ILE C C 13 175.277 0.078 . 1 . . 26 . A 48 ILE C . 30877 1 262 . 1 . 1 48 48 ILE CA C 13 59.669 0.122 . 1 . . 28 . A 48 ILE CA . 30877 1 263 . 1 . 1 48 48 ILE CB C 13 42.277 0.063 . 1 . . 30 . A 48 ILE CB . 30877 1 264 . 1 . 1 48 48 ILE CG1 C 13 26.199 0.112 . 1 . . 416 . A 48 ILE CG1 . 30877 1 265 . 1 . 1 48 48 ILE CG2 C 13 18.514 0.116 . 1 . . 27 . A 48 ILE CG2 . 30877 1 266 . 1 . 1 48 48 ILE CD1 C 13 14.028 0.11 . 1 . . 25 . A 48 ILE CD1 . 30877 1 267 . 1 . 1 48 48 ILE N N 15 120.977 0.209 . 1 . . 29 . A 48 ILE N . 30877 1 268 . 1 . 1 49 49 VAL C C 13 175.523 0.08 . 1 . . 20 . A 49 VAL C . 30877 1 269 . 1 . 1 49 49 VAL CA C 13 63.279 0.145 . 1 . . 19 . A 49 VAL CA . 30877 1 270 . 1 . 1 49 49 VAL CB C 13 32.470 0.11 . 1 . . 21 . A 49 VAL CB . 30877 1 271 . 1 . 1 49 49 VAL CG1 C 13 22.890 0.097 . 2 . . 22 . A 49 VAL CG1 . 30877 1 272 . 1 . 1 49 49 VAL CG2 C 13 21.267 0.112 . 2 . . 23 . A 49 VAL CG2 . 30877 1 273 . 1 . 1 49 49 VAL N N 15 120.963 0.136 . 1 . . 24 . A 49 VAL N . 30877 1 274 . 1 . 1 50 50 GLU C C 13 175.826 . . 1 . . 18 . A 50 GLU C . 30877 1 275 . 1 . 1 50 50 GLU CA C 13 54.657 0.111 . 1 . . 15 . A 50 GLU CA . 30877 1 276 . 1 . 1 50 50 GLU CB C 13 28.668 0.054 . 1 . . 17 . A 50 GLU CB . 30877 1 277 . 1 . 1 50 50 GLU CG C 13 36.773 0.08 . 1 . . 167 . A 50 GLU CG . 30877 1 278 . 1 . 1 50 50 GLU N N 15 132.669 0.159 . 1 . . 16 . A 50 GLU N . 30877 1 279 . 1 . 1 51 51 GLU C C 13 173.059 . . 1 . . 5 . A 51 GLU C . 30877 1 280 . 1 . 1 51 51 GLU CA C 13 55.819 0.103 . 1 . . 1 . A 51 GLU CA . 30877 1 281 . 1 . 1 51 51 GLU CB C 13 31.377 0.048 . 1 . . 3 . A 51 GLU CB . 30877 1 282 . 1 . 1 51 51 GLU CG C 13 35.421 0.062 . 1 . . 4 . A 51 GLU CG . 30877 1 283 . 1 . 1 51 51 GLU CD C 13 182.410 0.084 . 1 . . 6 . A 51 GLU CD . 30877 1 284 . 1 . 1 51 51 GLU N N 15 132.434 0.101 . 1 . . 2 . A 51 GLU N . 30877 1 285 . 1 . 1 52 52 ALA C C 13 176.262 0.026 . 1 . . 10 . A 52 ALA C . 30877 1 286 . 1 . 1 52 52 ALA CA C 13 51.347 0.11 . 1 . . 8 . A 52 ALA CA . 30877 1 287 . 1 . 1 52 52 ALA CB C 13 19.808 0.075 . 1 . . 7 . A 52 ALA CB . 30877 1 288 . 1 . 1 52 52 ALA N N 15 128.847 0.178 . 1 . . 9 . A 52 ALA N . 30877 1 289 . 1 . 1 53 53 LYS CA C 13 52.903 0.085 . 1 . . 907 . A 53 LYS CA . 30877 1 290 . 1 . 1 53 53 LYS CB C 13 32.866 0.068 . 1 . . 908 . A 53 LYS CB . 30877 1 291 . 1 . 1 53 53 LYS CG C 13 25.483 . . 1 . . 911 . A 53 LYS CG . 30877 1 292 . 1 . 1 53 53 LYS CD C 13 28.846 0.045 . 1 . . 910 . A 53 LYS CD . 30877 1 293 . 1 . 1 53 53 LYS CE C 13 42.212 0.042 . 1 . . 909 . A 53 LYS CE . 30877 1 294 . 1 . 1 54 54 GLN C C 13 174.187 0.109 . 1 . . 823 . A 54 GLN C . 30877 1 295 . 1 . 1 54 54 GLN CA C 13 53.436 0.105 . 1 . . 820 . A 54 GLN CA . 30877 1 296 . 1 . 1 54 54 GLN CB C 13 31.704 0.055 . 1 . . 819 . A 54 GLN CB . 30877 1 297 . 1 . 1 54 54 GLN CG C 13 32.244 0.095 . 1 . . 821 . A 54 GLN CG . 30877 1 298 . 1 . 1 54 54 GLN CD C 13 180.100 0.057 . 1 . . 822 . A 54 GLN CD . 30877 1 299 . 1 . 1 54 54 GLN N N 15 115.257 0.765 . 1 . . 818 . A 54 GLN N . 30877 1 300 . 1 . 1 55 55 ILE C C 13 174.779 0.019 . 1 . . 143 . A 55 ILE C . 30877 1 301 . 1 . 1 55 55 ILE CA C 13 59.376 0.121 . 1 . . 142 . A 55 ILE CA . 30877 1 302 . 1 . 1 55 55 ILE CB C 13 40.707 0.101 . 1 . . 145 . A 55 ILE CB . 30877 1 303 . 1 . 1 55 55 ILE CG1 C 13 27.053 0.107 . 1 . . 147 . A 55 ILE CG1 . 30877 1 304 . 1 . 1 55 55 ILE CG2 C 13 16.961 0.104 . 1 . . 144 . A 55 ILE CG2 . 30877 1 305 . 1 . 1 55 55 ILE CD1 C 13 12.884 0.121 . 1 . . 148 . A 55 ILE CD1 . 30877 1 306 . 1 . 1 55 55 ILE N N 15 120.102 0.143 . 1 . . 146 . A 55 ILE N . 30877 1 307 . 1 . 1 56 56 LEU C C 13 177.896 0.064 . 1 . . 79 . A 56 LEU C . 30877 1 308 . 1 . 1 56 56 LEU CA C 13 52.966 0.101 . 1 . . 78 . A 56 LEU CA . 30877 1 309 . 1 . 1 56 56 LEU CB C 13 41.591 0.106 . 1 . . 80 . A 56 LEU CB . 30877 1 310 . 1 . 1 56 56 LEU CG C 13 26.998 0.1 . 1 . . 657 . A 56 LEU CG . 30877 1 311 . 1 . 1 56 56 LEU CD1 C 13 23.018 0.101 . 2 . . 658 . A 56 LEU CD1 . 30877 1 312 . 1 . 1 56 56 LEU CD2 C 13 25.326 0.072 . 2 . . 817 . A 56 LEU CD2 . 30877 1 313 . 1 . 1 56 56 LEU N N 15 130.308 0.13 . 1 . . 141 . A 56 LEU N . 30877 1 314 . 1 . 1 57 57 VAL C C 13 179.465 0.09 . 1 . . 76 . A 57 VAL C . 30877 1 315 . 1 . 1 57 57 VAL CA C 13 66.871 0.133 . 1 . . 72 . A 57 VAL CA . 30877 1 316 . 1 . 1 57 57 VAL CB C 13 31.289 0.109 . 1 . . 73 . A 57 VAL CB . 30877 1 317 . 1 . 1 57 57 VAL CG1 C 13 21.138 0.102 . 2 . . 75 . A 57 VAL CG1 . 30877 1 318 . 1 . 1 57 57 VAL CG2 C 13 24.372 0.074 . 2 . . 643 . A 57 VAL CG2 . 30877 1 319 . 1 . 1 57 57 VAL N N 15 125.017 0.178 . 1 . . 74 . A 57 VAL N . 30877 1 320 . 1 . 1 58 58 GLY C C 13 174.011 0.185 . 1 . . 664 . A 58 GLY C . 30877 1 321 . 1 . 1 58 58 GLY CA C 13 45.697 0.126 . 1 . . 663 . A 58 GLY CA . 30877 1 322 . 1 . 1 58 58 GLY N N 15 106.117 0.143 . 1 . . 77 . A 58 GLY N . 30877 1 323 . 1 . 1 59 59 ASP C C 13 178.252 0.056 . 1 . . 737 . A 59 ASP C . 30877 1 324 . 1 . 1 59 59 ASP CA C 13 56.044 0.117 . 1 . . 735 . A 59 ASP CA . 30877 1 325 . 1 . 1 59 59 ASP CB C 13 41.054 0.113 . 1 . . 736 . A 59 ASP CB . 30877 1 326 . 1 . 1 59 59 ASP CG C 13 179.284 0.02 . 1 . . 738 . A 59 ASP CG . 30877 1 327 . 1 . 1 59 59 ASP N N 15 119.336 0.181 . 1 . . 665 . A 59 ASP N . 30877 1 328 . 1 . 1 60 60 ILE C C 13 174.599 . . 1 . . 541 . A 60 ILE C . 30877 1 329 . 1 . 1 60 60 ILE CA C 13 63.254 0.124 . 1 . . 536 . A 60 ILE CA . 30877 1 330 . 1 . 1 60 60 ILE CB C 13 36.763 0.146 . 1 . . 537 . A 60 ILE CB . 30877 1 331 . 1 . 1 60 60 ILE CG1 C 13 28.799 0.111 . 1 . . 899 . A 60 ILE CG1 . 30877 1 332 . 1 . 1 60 60 ILE CG2 C 13 17.034 0.14 . 1 . . 539 . A 60 ILE CG2 . 30877 1 333 . 1 . 1 60 60 ILE CD1 C 13 14.030 0.07 . 1 . . 538 . A 60 ILE CD1 . 30877 1 334 . 1 . 1 60 60 ILE N N 15 123.631 0.181 . 1 . . 540 . A 60 ILE N . 30877 1 335 . 1 . 1 61 61 GLY C C 13 175.169 . . 1 . . 544 . A 61 GLY C . 30877 1 336 . 1 . 1 61 61 GLY CA C 13 42.457 0.124 . 1 . . 542 . A 61 GLY CA . 30877 1 337 . 1 . 1 61 61 GLY N N 15 112.766 0.132 . 1 . . 543 . A 61 GLY N . 30877 1 338 . 1 . 1 62 62 ASP C C 13 176.595 . . 1 . . 828 . A 62 ASP C . 30877 1 339 . 1 . 1 62 62 ASP CA C 13 56.774 0.157 . 1 . . 824 . A 62 ASP CA . 30877 1 340 . 1 . 1 62 62 ASP CB C 13 39.461 0.1 . 1 . . 825 . A 62 ASP CB . 30877 1 341 . 1 . 1 62 62 ASP CG C 13 179.545 0.075 . 1 . . 827 . A 62 ASP CG . 30877 1 342 . 1 . 1 62 62 ASP N N 15 117.719 0.682 . 1 . . 826 . A 62 ASP N . 30877 1 343 . 1 . 1 63 63 THR C C 13 175.268 0.147 . 1 . . 833 . A 63 THR C . 30877 1 344 . 1 . 1 63 63 THR CA C 13 60.605 0.063 . 1 . . 830 . A 63 THR CA . 30877 1 345 . 1 . 1 63 63 THR CB C 13 70.559 0.157 . 1 . . 831 . A 63 THR CB . 30877 1 346 . 1 . 1 63 63 THR CG2 C 13 21.700 0.119 . 1 . . 832 . A 63 THR CG2 . 30877 1 347 . 1 . 1 63 63 THR N N 15 114.121 0.145 . 1 . . 829 . A 63 THR N . 30877 1 348 . 1 . 1 64 64 VAL CA C 13 60.860 0.103 . 1 . . 835 . A 64 VAL CA . 30877 1 349 . 1 . 1 64 64 VAL CB C 13 33.729 0.096 . 1 . . 836 . A 64 VAL CB . 30877 1 350 . 1 . 1 64 64 VAL CG1 C 13 20.355 0.154 . 1 . . 837 . A 64 VAL CG1 . 30877 1 351 . 1 . 1 64 64 VAL N N 15 121.721 0.164 . 1 . . 834 . A 64 VAL N . 30877 1 352 . 1 . 1 65 65 GLU C C 13 178.308 . . 1 . . 388 . A 65 GLU C . 30877 1 353 . 1 . 1 65 65 GLU CA C 13 58.976 0.059 . 1 . . 12 . A 65 GLU CA . 30877 1 354 . 1 . 1 65 65 GLU CB C 13 29.151 0.096 . 1 . . 13 . A 65 GLU CB . 30877 1 355 . 1 . 1 65 65 GLU CG C 13 35.824 0.096 . 1 . . 14 . A 65 GLU CG . 30877 1 356 . 1 . 1 65 65 GLU N N 15 120.704 0.028 . 1 . . 11 . A 65 GLU N . 30877 1 357 . 1 . 1 66 66 ASP C C 13 177.421 0.051 . 1 . . 842 . A 66 ASP C . 30877 1 358 . 1 . 1 66 66 ASP CA C 13 49.980 0.166 . 1 . . 838 . A 66 ASP CA . 30877 1 359 . 1 . 1 66 66 ASP CB C 13 43.256 0.074 . 1 . . 839 . A 66 ASP CB . 30877 1 360 . 1 . 1 66 66 ASP CG C 13 181.084 0.065 . 1 . . 840 . A 66 ASP CG . 30877 1 361 . 1 . 1 66 66 ASP N N 15 119.141 0.123 . 1 . . 841 . A 66 ASP N . 30877 1 362 . 1 . 1 67 67 PRO C C 13 175.918 0.078 . 1 . . 70 . A 67 PRO C . 30877 1 363 . 1 . 1 67 67 PRO CA C 13 64.418 0.108 . 1 . . 65 . A 67 PRO CA . 30877 1 364 . 1 . 1 67 67 PRO CB C 13 31.710 0.069 . 1 . . 68 . A 67 PRO CB . 30877 1 365 . 1 . 1 67 67 PRO CG C 13 26.842 0.06 . 1 . . 69 . A 67 PRO CG . 30877 1 366 . 1 . 1 67 67 PRO CD C 13 50.826 0.07 . 1 . . 67 . A 67 PRO CD . 30877 1 367 . 1 . 1 67 67 PRO N N 15 135.847 0.743 . 1 . . 66 . A 67 PRO N . 30877 1 368 . 1 . 1 68 68 TYR C C 13 176.695 . . 1 . . 846 . A 68 TYR C . 30877 1 369 . 1 . 1 68 68 TYR CA C 13 62.961 0.103 . 1 . . 844 . A 68 TYR CA . 30877 1 370 . 1 . 1 68 68 TYR CB C 13 38.185 0.124 . 1 . . 845 . A 68 TYR CB . 30877 1 371 . 1 . 1 68 68 TYR CG C 13 131.483 0.071 . 1 . . 848 . A 68 TYR CG . 30877 1 372 . 1 . 1 68 68 TYR CD1 C 13 131.841 0.118 . 1 . . 849 . A 68 TYR CD1 . 30877 1 373 . 1 . 1 68 68 TYR CD2 C 13 131.841 0.118 . 1 . . 849 . A 68 TYR CD2 . 30877 1 374 . 1 . 1 68 68 TYR CE1 C 13 118.085 . . 1 . . 847 . A 68 TYR CE1 . 30877 1 375 . 1 . 1 68 68 TYR CE2 C 13 118.085 . . 1 . . 847 . A 68 TYR CE2 . 30877 1 376 . 1 . 1 68 68 TYR N N 15 119.875 0.588 . 1 . . 843 . A 68 TYR N . 30877 1 377 . 1 . 1 69 69 THR C C 13 177.710 0.097 . 1 . . 85 . A 69 THR C . 30877 1 378 . 1 . 1 69 69 THR CA C 13 65.939 0.125 . 1 . . 81 . A 69 THR CA . 30877 1 379 . 1 . 1 69 69 THR CB C 13 68.430 0.13 . 1 . . 83 . A 69 THR CB . 30877 1 380 . 1 . 1 69 69 THR CG2 C 13 21.855 0.093 . 1 . . 84 . A 69 THR CG2 . 30877 1 381 . 1 . 1 69 69 THR N N 15 115.730 0.1 . 1 . . 82 . A 69 THR N . 30877 1 382 . 1 . 1 70 70 SER C C 13 174.882 0.125 . 1 . . 752 . A 70 SER C . 30877 1 383 . 1 . 1 70 70 SER CA C 13 62.051 0.108 . 1 . . 636 . A 70 SER CA . 30877 1 384 . 1 . 1 70 70 SER CB C 13 63.327 0.083 . 1 . . 637 . A 70 SER CB . 30877 1 385 . 1 . 1 70 70 SER N N 15 116.938 0.138 . 1 . . 635 . A 70 SER N . 30877 1 386 . 1 . 1 71 71 PHE C C 13 175.557 . . 1 . . 758 . A 71 PHE C . 30877 1 387 . 1 . 1 71 71 PHE CA C 13 59.870 0.103 . 1 . . 754 . A 71 PHE CA . 30877 1 388 . 1 . 1 71 71 PHE CB C 13 38.013 0.167 . 1 . . 755 . A 71 PHE CB . 30877 1 389 . 1 . 1 71 71 PHE CG C 13 137.855 0.094 . 1 . . 756 . A 71 PHE CG . 30877 1 390 . 1 . 1 71 71 PHE CD1 C 13 133.088 0.109 . 1 . . 757 . A 71 PHE CD1 . 30877 1 391 . 1 . 1 71 71 PHE CD2 C 13 133.088 0.109 . 1 . . 757 . A 71 PHE CD2 . 30877 1 392 . 1 . 1 71 71 PHE CE1 C 13 129.136 0.13 . 1 . . 759 . A 71 PHE CE1 . 30877 1 393 . 1 . 1 71 71 PHE CE2 C 13 129.136 0.13 . 1 . . 759 . A 71 PHE CE2 . 30877 1 394 . 1 . 1 71 71 PHE CZ C 13 126.900 0.076 . 1 . . 760 . A 71 PHE CZ . 30877 1 395 . 1 . 1 71 71 PHE N N 15 125.364 0.153 . 1 . . 753 . A 71 PHE N . 30877 1 396 . 1 . 1 72 72 VAL C C 13 178.101 0.069 . 1 . . 448 . A 72 VAL C . 30877 1 397 . 1 . 1 72 72 VAL CA C 13 65.873 0.124 . 1 . . 449 . A 72 VAL CA . 30877 1 398 . 1 . 1 72 72 VAL CB C 13 30.964 0.136 . 1 . . 447 . A 72 VAL CB . 30877 1 399 . 1 . 1 72 72 VAL CG1 C 13 23.062 0.101 . 2 . . 451 . A 72 VAL CG1 . 30877 1 400 . 1 . 1 72 72 VAL CG2 C 13 21.731 0.051 . 2 . . 452 . A 72 VAL CG2 . 30877 1 401 . 1 . 1 72 72 VAL N N 15 120.505 0.225 . 1 . . 450 . A 72 VAL N . 30877 1 402 . 1 . 1 73 73 LYS C C 13 176.966 0.05 . 1 . . 446 . A 73 LYS C . 30877 1 403 . 1 . 1 73 73 LYS CA C 13 57.738 0.106 . 1 . . 442 . A 73 LYS CA . 30877 1 404 . 1 . 1 73 73 LYS CB C 13 32.173 0.101 . 1 . . 444 . A 73 LYS CB . 30877 1 405 . 1 . 1 73 73 LYS CG C 13 25.389 0.109 . 1 . . 443 . A 73 LYS CG . 30877 1 406 . 1 . 1 73 73 LYS CD C 13 30.051 0.1 . 1 . . 717 . A 73 LYS CD . 30877 1 407 . 1 . 1 73 73 LYS CE C 13 41.850 0.092 . 1 . . 718 . A 73 LYS CE . 30877 1 408 . 1 . 1 73 73 LYS N N 15 115.776 0.627 . 1 . . 445 . A 73 LYS N . 30877 1 409 . 1 . 1 74 74 LEU C C 13 178.400 0.124 . 1 . . 397 . A 74 LEU C . 30877 1 410 . 1 . 1 74 74 LEU CA C 13 53.666 0.079 . 1 . . 394 . A 74 LEU CA . 30877 1 411 . 1 . 1 74 74 LEU CB C 13 43.736 0.109 . 1 . . 395 . A 74 LEU CB . 30877 1 412 . 1 . 1 74 74 LEU CG C 13 26.735 0.104 . 1 . . 396 . A 74 LEU CG . 30877 1 413 . 1 . 1 74 74 LEU CD1 C 13 25.734 . . 2 . . 646 . A 74 LEU CD1 . 30877 1 414 . 1 . 1 74 74 LEU CD2 C 13 22.772 0.117 . 2 . . 647 . A 74 LEU CD2 . 30877 1 415 . 1 . 1 74 74 LEU N N 15 119.060 0.136 . 1 . . 393 . A 74 LEU N . 30877 1 416 . 1 . 1 75 75 LEU C C 13 174.465 0.066 . 1 . . 896 . A 75 LEU C . 30877 1 417 . 1 . 1 75 75 LEU CA C 13 52.221 0.104 . 1 . . 389 . A 75 LEU CA . 30877 1 418 . 1 . 1 75 75 LEU CB C 13 37.986 0.049 . 1 . . 895 . A 75 LEU CB . 30877 1 419 . 1 . 1 75 75 LEU CG C 13 23.880 0.107 . 1 . . 391 . A 75 LEU CG . 30877 1 420 . 1 . 1 75 75 LEU CD1 C 13 20.699 0.089 . 1 . . 392 . A 75 LEU CD1 . 30877 1 421 . 1 . 1 75 75 LEU N N 15 118.666 0.176 . 1 . . 390 . A 75 LEU N . 30877 1 422 . 1 . 1 76 76 PRO C C 13 177.385 0.076 . 1 . . 699 . A 76 PRO C . 30877 1 423 . 1 . 1 76 76 PRO CA C 13 61.562 0.092 . 1 . . 695 . A 76 PRO CA . 30877 1 424 . 1 . 1 76 76 PRO CB C 13 31.030 0.082 . 1 . . 697 . A 76 PRO CB . 30877 1 425 . 1 . 1 76 76 PRO CG C 13 26.627 0.075 . 1 . . 698 . A 76 PRO CG . 30877 1 426 . 1 . 1 76 76 PRO CD C 13 49.991 0.119 . 1 . . 696 . A 76 PRO CD . 30877 1 427 . 1 . 1 76 76 PRO N N 15 137.372 0.143 . 1 . . 694 . A 76 PRO N . 30877 1 428 . 1 . 1 77 77 LEU C C 13 176.389 0.065 . 1 . . 705 . A 77 LEU C . 30877 1 429 . 1 . 1 77 77 LEU CA C 13 56.628 0.109 . 1 . . 701 . A 77 LEU CA . 30877 1 430 . 1 . 1 77 77 LEU CB C 13 40.636 0.095 . 1 . . 702 . A 77 LEU CB . 30877 1 431 . 1 . 1 77 77 LEU CG C 13 27.230 0.059 . 1 . . 703 . A 77 LEU CG . 30877 1 432 . 1 . 1 77 77 LEU CD1 C 13 22.413 0.138 . 1 . . 704 . A 77 LEU CD1 . 30877 1 433 . 1 . 1 77 77 LEU N N 15 123.330 0.136 . 1 . . 700 . A 77 LEU N . 30877 1 434 . 1 . 1 78 78 ASN C C 13 173.967 0.072 . 1 . . 361 . A 78 ASN C . 30877 1 435 . 1 . 1 78 78 ASN CA C 13 50.633 0.131 . 1 . . 358 . A 78 ASN CA . 30877 1 436 . 1 . 1 78 78 ASN CB C 13 38.435 0.108 . 1 . . 359 . A 78 ASN CB . 30877 1 437 . 1 . 1 78 78 ASN CG C 13 177.954 0.051 . 1 . . 360 . A 78 ASN CG . 30877 1 438 . 1 . 1 78 78 ASN N N 15 112.273 0.089 . 1 . . 357 . A 78 ASN N . 30877 1 439 . 1 . 1 78 78 ASN ND2 N 15 113.045 0.021 . 1 . . 428 . A 78 ASN ND2 . 30877 1 440 . 1 . 1 79 79 ASP C C 13 172.601 0.085 . 1 . . 366 . A 79 ASP C . 30877 1 441 . 1 . 1 79 79 ASP CA C 13 52.842 0.111 . 1 . . 363 . A 79 ASP CA . 30877 1 442 . 1 . 1 79 79 ASP CB C 13 43.193 0.073 . 1 . . 364 . A 79 ASP CB . 30877 1 443 . 1 . 1 79 79 ASP CG C 13 180.886 0.059 . 1 . . 365 . A 79 ASP CG . 30877 1 444 . 1 . 1 79 79 ASP N N 15 115.248 0.168 . 1 . . 362 . A 79 ASP N . 30877 1 445 . 1 . 1 80 80 CYS C C 13 173.588 0.118 . 1 . . 124 . A 80 CYS C . 30877 1 446 . 1 . 1 80 80 CYS CA C 13 56.598 0.136 . 1 . . 121 . A 80 CYS CA . 30877 1 447 . 1 . 1 80 80 CYS CB C 13 28.717 0.114 . 1 . . 122 . A 80 CYS CB . 30877 1 448 . 1 . 1 80 80 CYS N N 15 115.795 0.163 . 1 . . 123 . A 80 CYS N . 30877 1 449 . 1 . 1 81 81 ARG CA C 13 53.887 0.17 . 1 . . 367 . A 81 ARG CA . 30877 1 450 . 1 . 1 81 81 ARG CB C 13 38.234 0.077 . 1 . . 368 . A 81 ARG CB . 30877 1 451 . 1 . 1 81 81 ARG CG C 13 26.809 0.14 . 1 . . 851 . A 81 ARG CG . 30877 1 452 . 1 . 1 81 81 ARG CD C 13 43.053 0.25 . 1 . . 369 . A 81 ARG CD . 30877 1 453 . 1 . 1 81 81 ARG CZ C 13 159.006 0.2 . 1 . . 370 . A 81 ARG CZ . 30877 1 454 . 1 . 1 81 81 ARG N N 15 117.974 0.129 . 1 . . 125 . A 81 ARG N . 30877 1 455 . 1 . 1 82 82 TYR C C 13 174.680 . . 1 . . 748 . A 82 TYR C . 30877 1 456 . 1 . 1 82 82 TYR CA C 13 56.728 0.167 . 1 . . 516 . A 82 TYR CA . 30877 1 457 . 1 . 1 82 82 TYR CB C 13 40.872 0.07 . 1 . . 517 . A 82 TYR CB . 30877 1 458 . 1 . 1 82 82 TYR CG C 13 128.155 0.046 . 1 . . 518 . A 82 TYR CG . 30877 1 459 . 1 . 1 82 82 TYR CD1 C 13 131.744 0.092 . 1 . . 520 . A 82 TYR CD1 . 30877 1 460 . 1 . 1 82 82 TYR CD2 C 13 131.744 0.092 . 1 . . 520 . A 82 TYR CD2 . 30877 1 461 . 1 . 1 82 82 TYR CE1 C 13 118.034 0.113 . 1 . . 519 . A 82 TYR CE1 . 30877 1 462 . 1 . 1 82 82 TYR CE2 C 13 118.034 0.113 . 1 . . 519 . A 82 TYR CE2 . 30877 1 463 . 1 . 1 82 82 TYR N N 15 115.376 0.053 . 1 . . 521 . A 82 TYR N . 30877 1 464 . 1 . 1 83 83 ALA C C 13 175.584 0.116 . 1 . . 171 . A 83 ALA C . 30877 1 465 . 1 . 1 83 83 ALA CA C 13 51.216 0.089 . 1 . . 168 . A 83 ALA CA . 30877 1 466 . 1 . 1 83 83 ALA CB C 13 23.400 0.089 . 1 . . 170 . A 83 ALA CB . 30877 1 467 . 1 . 1 83 83 ALA N N 15 122.798 0.098 . 1 . . 169 . A 83 ALA N . 30877 1 468 . 1 . 1 84 84 LEU C C 13 173.850 0.032 . 1 . . 178 . A 84 LEU C . 30877 1 469 . 1 . 1 84 84 LEU CA C 13 53.387 0.087 . 1 . . 173 . A 84 LEU CA . 30877 1 470 . 1 . 1 84 84 LEU CB C 13 46.674 0.089 . 1 . . 174 . A 84 LEU CB . 30877 1 471 . 1 . 1 84 84 LEU CG C 13 27.472 0.102 . 1 . . 175 . A 84 LEU CG . 30877 1 472 . 1 . 1 84 84 LEU CD1 C 13 26.651 0.101 . 2 . . 176 . A 84 LEU CD1 . 30877 1 473 . 1 . 1 84 84 LEU CD2 C 13 24.724 0.134 . 2 . . 177 . A 84 LEU CD2 . 30877 1 474 . 1 . 1 84 84 LEU N N 15 119.661 0.097 . 1 . . 172 . A 84 LEU N . 30877 1 475 . 1 . 1 85 85 TYR C C 13 172.662 . . 1 . . 183 . A 85 TYR C . 30877 1 476 . 1 . 1 85 85 TYR CA C 13 56.819 0.09 . 1 . . 181 . A 85 TYR CA . 30877 1 477 . 1 . 1 85 85 TYR CB C 13 42.248 0.079 . 1 . . 180 . A 85 TYR CB . 30877 1 478 . 1 . 1 85 85 TYR CG C 13 131.906 0.105 . 1 . . 182 . A 85 TYR CG . 30877 1 479 . 1 . 1 85 85 TYR CD1 C 13 131.803 0.114 . 1 . . 557 . A 85 TYR CD1 . 30877 1 480 . 1 . 1 85 85 TYR CD2 C 13 131.803 0.114 . 1 . . 557 . A 85 TYR CD2 . 30877 1 481 . 1 . 1 85 85 TYR CE1 C 13 117.668 0.091 . 1 . . 556 . A 85 TYR CE1 . 30877 1 482 . 1 . 1 85 85 TYR CE2 C 13 117.668 0.091 . 1 . . 556 . A 85 TYR CE2 . 30877 1 483 . 1 . 1 85 85 TYR N N 15 124.218 0.153 . 1 . . 179 . A 85 TYR N . 30877 1 484 . 1 . 1 86 86 ASP C C 13 172.884 0.067 . 1 . . 208 . A 86 ASP C . 30877 1 485 . 1 . 1 86 86 ASP CA C 13 52.117 0.134 . 1 . . 185 . A 86 ASP CA . 30877 1 486 . 1 . 1 86 86 ASP CB C 13 40.128 0.101 . 1 . . 186 . A 86 ASP CB . 30877 1 487 . 1 . 1 86 86 ASP CG C 13 181.339 0.091 . 1 . . 187 . A 86 ASP CG . 30877 1 488 . 1 . 1 86 86 ASP N N 15 129.586 0.067 . 1 . . 184 . A 86 ASP N . 30877 1 489 . 1 . 1 87 87 ALA C C 13 176.456 0.04 . 1 . . 212 . A 87 ALA C . 30877 1 490 . 1 . 1 87 87 ALA CA C 13 51.623 0.117 . 1 . . 211 . A 87 ALA CA . 30877 1 491 . 1 . 1 87 87 ALA CB C 13 19.798 0.071 . 1 . . 210 . A 87 ALA CB . 30877 1 492 . 1 . 1 87 87 ALA N N 15 129.058 0.106 . 1 . . 209 . A 87 ALA N . 30877 1 493 . 1 . 1 88 88 THR C C 13 172.988 0.091 . 1 . . 217 . A 88 THR C . 30877 1 494 . 1 . 1 88 88 THR CA C 13 61.710 0.095 . 1 . . 214 . A 88 THR CA . 30877 1 495 . 1 . 1 88 88 THR CB C 13 69.046 0.095 . 1 . . 215 . A 88 THR CB . 30877 1 496 . 1 . 1 88 88 THR CG2 C 13 22.150 0.123 . 1 . . 216 . A 88 THR CG2 . 30877 1 497 . 1 . 1 88 88 THR N N 15 123.865 0.08 . 1 . . 213 . A 88 THR N . 30877 1 498 . 1 . 1 89 89 TYR C C 13 171.979 0.058 . 1 . . 423 . A 89 TYR C . 30877 1 499 . 1 . 1 89 89 TYR CA C 13 55.545 0.13 . 1 . . 421 . A 89 TYR CA . 30877 1 500 . 1 . 1 89 89 TYR CB C 13 39.036 0.087 . 1 . . 422 . A 89 TYR CB . 30877 1 501 . 1 . 1 89 89 TYR CG C 13 129.695 0.081 . 1 . . 522 . A 89 TYR CG . 30877 1 502 . 1 . 1 89 89 TYR CD1 C 13 133.658 0.126 . 1 . . 523 . A 89 TYR CD1 . 30877 1 503 . 1 . 1 89 89 TYR CD2 C 13 133.658 0.126 . 1 . . 523 . A 89 TYR CD2 . 30877 1 504 . 1 . 1 89 89 TYR CE1 C 13 117.956 0.162 . 1 . . 524 . A 89 TYR CE1 . 30877 1 505 . 1 . 1 89 89 TYR CE2 C 13 117.956 0.162 . 1 . . 524 . A 89 TYR CE2 . 30877 1 506 . 1 . 1 89 89 TYR N N 15 125.461 0.153 . 1 . . 218 . A 89 TYR N . 30877 1 507 . 1 . 1 90 90 GLU C C 13 176.574 0.108 . 1 . . 406 . A 90 GLU C . 30877 1 508 . 1 . 1 90 90 GLU CA C 13 54.423 0.141 . 1 . . 402 . A 90 GLU CA . 30877 1 509 . 1 . 1 90 90 GLU CB C 13 32.862 0.071 . 1 . . 405 . A 90 GLU CB . 30877 1 510 . 1 . 1 90 90 GLU CG C 13 36.262 0.118 . 1 . . 404 . A 90 GLU CG . 30877 1 511 . 1 . 1 90 90 GLU CD C 13 183.324 0.081 . 1 . . 407 . A 90 GLU CD . 30877 1 512 . 1 . 1 90 90 GLU N N 15 118.434 0.085 . 1 . . 403 . A 90 GLU N . 30877 1 513 . 1 . 1 91 91 THR C C 13 174.665 0.219 . 1 . . 223 . A 91 THR C . 30877 1 514 . 1 . 1 91 91 THR CA C 13 58.812 0.083 . 1 . . 219 . A 91 THR CA . 30877 1 515 . 1 . 1 91 91 THR CB C 13 71.373 0.091 . 1 . . 221 . A 91 THR CB . 30877 1 516 . 1 . 1 91 91 THR CG2 C 13 21.978 0.122 . 1 . . 222 . A 91 THR CG2 . 30877 1 517 . 1 . 1 91 91 THR N N 15 115.934 0.09 . 1 . . 220 . A 91 THR N . 30877 1 518 . 1 . 1 92 92 LYS C C 13 176.758 0.098 . 1 . . 227 . A 92 LYS C . 30877 1 519 . 1 . 1 92 92 LYS CA C 13 58.534 0.133 . 1 . . 225 . A 92 LYS CA . 30877 1 520 . 1 . 1 92 92 LYS CB C 13 32.500 0.048 . 1 . . 919 . A 92 LYS CB . 30877 1 521 . 1 . 1 92 92 LYS CG C 13 25.721 0.147 . 1 . . 226 . A 92 LYS CG . 30877 1 522 . 1 . 1 92 92 LYS CD C 13 29.177 0.031 . 1 . . 920 . A 92 LYS CD . 30877 1 523 . 1 . 1 92 92 LYS CE C 13 41.847 0.105 . 1 . . 767 . A 92 LYS CE . 30877 1 524 . 1 . 1 92 92 LYS N N 15 117.844 0.209 . 1 . . 224 . A 92 LYS N . 30877 1 525 . 1 . 1 93 93 GLU C C 13 176.202 0.102 . 1 . . 166 . A 93 GLU C . 30877 1 526 . 1 . 1 93 93 GLU CA C 13 56.612 0.073 . 1 . . 165 . A 93 GLU CA . 30877 1 527 . 1 . 1 93 93 GLU CB C 13 32.799 0.07 . 1 . . 162 . A 93 GLU CB . 30877 1 528 . 1 . 1 93 93 GLU CG C 13 36.347 0.107 . 1 . . 164 . A 93 GLU CG . 30877 1 529 . 1 . 1 93 93 GLU CD C 13 184.152 0.052 . 1 . . 921 . A 93 GLU CD . 30877 1 530 . 1 . 1 93 93 GLU N N 15 113.840 0.128 . 1 . . 163 . A 93 GLU N . 30877 1 531 . 1 . 1 94 94 SER C C 13 171.693 0.145 . 1 . . 160 . A 94 SER C . 30877 1 532 . 1 . 1 94 94 SER CA C 13 58.545 0.091 . 1 . . 157 . A 94 SER CA . 30877 1 533 . 1 . 1 94 94 SER CB C 13 67.712 0.165 . 1 . . 158 . A 94 SER CB . 30877 1 534 . 1 . 1 94 94 SER N N 15 113.509 0.15 . 1 . . 159 . A 94 SER N . 30877 1 535 . 1 . 1 95 95 LYS C C 13 175.432 0.023 . 1 . . 565 . A 95 LYS C . 30877 1 536 . 1 . 1 95 95 LYS CA C 13 56.711 0.112 . 1 . . 560 . A 95 LYS CA . 30877 1 537 . 1 . 1 95 95 LYS CB C 13 32.426 0.141 . 1 . . 561 . A 95 LYS CB . 30877 1 538 . 1 . 1 95 95 LYS CG C 13 25.359 0.111 . 1 . . 562 . A 95 LYS CG . 30877 1 539 . 1 . 1 95 95 LYS CD C 13 29.128 0.091 . 1 . . 564 . A 95 LYS CD . 30877 1 540 . 1 . 1 95 95 LYS CE C 13 42.732 0.118 . 1 . . 563 . A 95 LYS CE . 30877 1 541 . 1 . 1 95 95 LYS N N 15 124.142 0.724 . 1 . . 161 . A 95 LYS N . 30877 1 542 . 1 . 1 96 96 LYS C C 13 174.890 0.166 . 1 . . 728 . A 96 LYS C . 30877 1 543 . 1 . 1 96 96 LYS CA C 13 54.701 0.085 . 1 . . 726 . A 96 LYS CA . 30877 1 544 . 1 . 1 96 96 LYS CB C 13 34.698 0.166 . 1 . . 725 . A 96 LYS CB . 30877 1 545 . 1 . 1 96 96 LYS CG C 13 24.198 0.098 . 1 . . 567 . A 96 LYS CG . 30877 1 546 . 1 . 1 96 96 LYS CD C 13 27.922 0.123 . 1 . . 881 . A 96 LYS CD . 30877 1 547 . 1 . 1 96 96 LYS CE C 13 42.081 0.045 . 1 . . 727 . A 96 LYS CE . 30877 1 548 . 1 . 1 96 96 LYS N N 15 126.268 0.746 . 1 . . 566 . A 96 LYS N . 30877 1 549 . 1 . 1 97 97 GLU C C 13 176.034 0.109 . 1 . . 734 . A 97 GLU C . 30877 1 550 . 1 . 1 97 97 GLU CA C 13 55.028 0.096 . 1 . . 730 . A 97 GLU CA . 30877 1 551 . 1 . 1 97 97 GLU CB C 13 32.343 0.089 . 1 . . 731 . A 97 GLU CB . 30877 1 552 . 1 . 1 97 97 GLU CG C 13 36.559 0.172 . 1 . . 732 . A 97 GLU CG . 30877 1 553 . 1 . 1 97 97 GLU CD C 13 184.101 0.067 . 1 . . 733 . A 97 GLU CD . 30877 1 554 . 1 . 1 97 97 GLU N N 15 119.571 0.094 . 1 . . 729 . A 97 GLU N . 30877 1 555 . 1 . 1 98 98 ASP C C 13 173.930 0.092 . 1 . . 723 . A 98 ASP C . 30877 1 556 . 1 . 1 98 98 ASP CA C 13 52.007 0.105 . 1 . . 721 . A 98 ASP CA . 30877 1 557 . 1 . 1 98 98 ASP CB C 13 46.445 0.113 . 1 . . 722 . A 98 ASP CB . 30877 1 558 . 1 . 1 98 98 ASP CG C 13 178.506 0.105 . 1 . . 724 . A 98 ASP CG . 30877 1 559 . 1 . 1 98 98 ASP N N 15 123.664 0.161 . 1 . . 720 . A 98 ASP N . 30877 1 560 . 1 . 1 99 99 LEU C C 13 176.529 0.142 . 1 . . 592 . A 99 LEU C . 30877 1 561 . 1 . 1 99 99 LEU CA C 13 55.058 0.09 . 1 . . 589 . A 99 LEU CA . 30877 1 562 . 1 . 1 99 99 LEU CB C 13 43.732 0.107 . 1 . . 588 . A 99 LEU CB . 30877 1 563 . 1 . 1 99 99 LEU CG C 13 26.800 0.144 . 1 . . 590 . A 99 LEU CG . 30877 1 564 . 1 . 1 99 99 LEU CD1 C 13 23.554 0.048 . 1 . . 591 . A 99 LEU CD1 . 30877 1 565 . 1 . 1 99 99 LEU N N 15 120.183 0.182 . 1 . . 587 . A 99 LEU N . 30877 1 566 . 1 . 1 100 100 VAL C C 13 174.637 0.083 . 1 . . 233 . A 100 VAL C . 30877 1 567 . 1 . 1 100 100 VAL CA C 13 61.390 0.107 . 1 . . 232 . A 100 VAL CA . 30877 1 568 . 1 . 1 100 100 VAL CB C 13 34.587 0.102 . 1 . . 234 . A 100 VAL CB . 30877 1 569 . 1 . 1 100 100 VAL CG1 C 13 21.123 0.09 . 2 . . 235 . A 100 VAL CG1 . 30877 1 570 . 1 . 1 100 100 VAL CG2 C 13 20.504 0.127 . 2 . . 236 . A 100 VAL CG2 . 30877 1 571 . 1 . 1 100 100 VAL N N 15 123.234 0.129 . 1 . . 237 . A 100 VAL N . 30877 1 572 . 1 . 1 101 101 PHE C C 13 173.001 0.005 . 1 . . 352 . A 101 PHE C . 30877 1 573 . 1 . 1 101 101 PHE CA C 13 56.339 0.103 . 1 . . 350 . A 101 PHE CA . 30877 1 574 . 1 . 1 101 101 PHE CB C 13 40.794 0.063 . 1 . . 351 . A 101 PHE CB . 30877 1 575 . 1 . 1 101 101 PHE CG C 13 138.792 0.072 . 1 . . 376 . A 101 PHE CG . 30877 1 576 . 1 . 1 101 101 PHE CD1 C 13 132.028 0.146 . 1 . . 554 . A 101 PHE CD1 . 30877 1 577 . 1 . 1 101 101 PHE CD2 C 13 132.028 0.146 . 1 . . 554 . A 101 PHE CD2 . 30877 1 578 . 1 . 1 101 101 PHE CE1 C 13 130.435 0.181 . 1 . . 555 . A 101 PHE CE1 . 30877 1 579 . 1 . 1 101 101 PHE CE2 C 13 130.435 0.181 . 1 . . 555 . A 101 PHE CE2 . 30877 1 580 . 1 . 1 101 101 PHE N N 15 128.321 0.112 . 1 . . 231 . A 101 PHE N . 30877 1 581 . 1 . 1 102 102 ILE C C 13 173.308 0.072 . 1 . . 154 . A 102 ILE C . 30877 1 582 . 1 . 1 102 102 ILE CA C 13 60.203 0.095 . 1 . . 149 . A 102 ILE CA . 30877 1 583 . 1 . 1 102 102 ILE CB C 13 42.054 0.133 . 1 . . 151 . A 102 ILE CB . 30877 1 584 . 1 . 1 102 102 ILE CG1 C 13 29.901 0.098 . 1 . . 152 . A 102 ILE CG1 . 30877 1 585 . 1 . 1 102 102 ILE CG2 C 13 16.359 0.095 . 1 . . 153 . A 102 ILE CG2 . 30877 1 586 . 1 . 1 102 102 ILE CD1 C 13 15.252 0.135 . 1 . . 155 . A 102 ILE CD1 . 30877 1 587 . 1 . 1 102 102 ILE N N 15 130.673 0.145 . 1 . . 150 . A 102 ILE N . 30877 1 588 . 1 . 1 103 103 PHE C C 13 171.247 0.05 . 1 . . 230 . A 103 PHE C . 30877 1 589 . 1 . 1 103 103 PHE CA C 13 53.715 0.093 . 1 . . 228 . A 103 PHE CA . 30877 1 590 . 1 . 1 103 103 PHE CB C 13 38.829 0.128 . 1 . . 229 . A 103 PHE CB . 30877 1 591 . 1 . 1 103 103 PHE CG C 13 138.442 0.096 . 1 . . 498 . A 103 PHE CG . 30877 1 592 . 1 . 1 103 103 PHE CD1 C 13 131.699 0.073 . 1 . . 515 . A 103 PHE CD1 . 30877 1 593 . 1 . 1 103 103 PHE CD2 C 13 131.699 0.073 . 1 . . 515 . A 103 PHE CD2 . 30877 1 594 . 1 . 1 103 103 PHE CE1 C 13 130.039 0.079 . 1 . . 499 . A 103 PHE CE1 . 30877 1 595 . 1 . 1 103 103 PHE CE2 C 13 130.039 0.079 . 1 . . 499 . A 103 PHE CE2 . 30877 1 596 . 1 . 1 103 103 PHE N N 15 127.995 0.176 . 1 . . 156 . A 103 PHE N . 30877 1 597 . 1 . 1 104 104 TRP C C 13 172.125 0.07 . 1 . . 107 . A 104 TRP C . 30877 1 598 . 1 . 1 104 104 TRP CA C 13 54.442 0.113 . 1 . . 108 . A 104 TRP CA . 30877 1 599 . 1 . 1 104 104 TRP CB C 13 30.788 0.18 . 1 . . 109 . A 104 TRP CB . 30877 1 600 . 1 . 1 104 104 TRP CG C 13 110.004 0.227 . 1 . . 914 . A 104 TRP CG . 30877 1 601 . 1 . 1 104 104 TRP CD1 C 13 127.417 0.113 . 1 . . 111 . A 104 TRP CD1 . 30877 1 602 . 1 . 1 104 104 TRP CD2 C 13 129.127 0.083 . 1 . . 769 . A 104 TRP CD2 . 30877 1 603 . 1 . 1 104 104 TRP CE2 C 13 138.524 0.132 . 1 . . 496 . A 104 TRP CE2 . 30877 1 604 . 1 . 1 104 104 TRP CE3 C 13 119.812 0.082 . 1 . . 497 . A 104 TRP CE3 . 30877 1 605 . 1 . 1 104 104 TRP N N 15 131.130 0.124 . 1 . . 110 . A 104 TRP N . 30877 1 606 . 1 . 1 105 105 ALA C C 13 173.133 0.07 . 1 . . 62 . A 105 ALA C . 30877 1 607 . 1 . 1 105 105 ALA CA C 13 48.302 0.146 . 1 . . 61 . A 105 ALA CA . 30877 1 608 . 1 . 1 105 105 ALA CB C 13 20.047 0.124 . 1 . . 63 . A 105 ALA CB . 30877 1 609 . 1 . 1 105 105 ALA N N 15 128.355 0.138 . 1 . . 64 . A 105 ALA N . 30877 1 610 . 1 . 1 106 106 PRO C C 13 176.375 0.067 . 1 . . 55 . A 106 PRO C . 30877 1 611 . 1 . 1 106 106 PRO CA C 13 61.356 0.149 . 1 . . 56 . A 106 PRO CA . 30877 1 612 . 1 . 1 106 106 PRO CB C 13 31.140 0.092 . 1 . . 57 . A 106 PRO CB . 30877 1 613 . 1 . 1 106 106 PRO CG C 13 26.760 0.122 . 1 . . 58 . A 106 PRO CG . 30877 1 614 . 1 . 1 106 106 PRO CD C 13 48.437 0.081 . 1 . . 60 . A 106 PRO CD . 30877 1 615 . 1 . 1 106 106 PRO N N 15 139.135 0.073 . 1 . . 59 . A 106 PRO N . 30877 1 616 . 1 . 1 107 107 GLU C C 13 177.239 0.073 . 1 . . 52 . A 107 GLU C . 30877 1 617 . 1 . 1 107 107 GLU CA C 13 59.001 0.076 . 1 . . 51 . A 107 GLU CA . 30877 1 618 . 1 . 1 107 107 GLU CB C 13 29.619 0.159 . 1 . . 53 . A 107 GLU CB . 30877 1 619 . 1 . 1 107 107 GLU CG C 13 35.873 0.087 . 1 . . 761 . A 107 GLU CG . 30877 1 620 . 1 . 1 107 107 GLU CD C 13 183.372 0.125 . 1 . . 912 . A 107 GLU CD . 30877 1 621 . 1 . 1 107 107 GLU N N 15 120.657 0.148 . 1 . . 54 . A 107 GLU N . 30877 1 622 . 1 . 1 108 108 SER C C 13 174.295 0.089 . 1 . . 47 . A 108 SER C . 30877 1 623 . 1 . 1 108 108 SER CA C 13 57.936 0.102 . 1 . . 44 . A 108 SER CA . 30877 1 624 . 1 . 1 108 108 SER CB C 13 62.617 0.169 . 1 . . 46 . A 108 SER CB . 30877 1 625 . 1 . 1 108 108 SER N N 15 109.490 0.099 . 1 . . 45 . A 108 SER N . 30877 1 626 . 1 . 1 109 109 ALA C C 13 173.810 0.079 . 1 . . 913 . A 109 ALA C . 30877 1 627 . 1 . 1 109 109 ALA CA C 13 50.156 0.09 . 1 . . 49 . A 109 ALA CA . 30877 1 628 . 1 . 1 109 109 ALA CB C 13 18.201 0.106 . 1 . . 50 . A 109 ALA CB . 30877 1 629 . 1 . 1 109 109 ALA N N 15 125.916 0.11 . 1 . . 48 . A 109 ALA N . 30877 1 630 . 1 . 1 110 110 PRO C C 13 177.227 0.149 . 1 . . 675 . A 110 PRO C . 30877 1 631 . 1 . 1 110 110 PRO CA C 13 62.175 0.114 . 1 . . 671 . A 110 PRO CA . 30877 1 632 . 1 . 1 110 110 PRO CB C 13 32.142 0.07 . 1 . . 672 . A 110 PRO CB . 30877 1 633 . 1 . 1 110 110 PRO CG C 13 27.943 0.069 . 1 . . 673 . A 110 PRO CG . 30877 1 634 . 1 . 1 110 110 PRO CD C 13 50.514 0.114 . 1 . . 674 . A 110 PRO CD . 30877 1 635 . 1 . 1 110 110 PRO N N 15 134.872 0.081 . 1 . . 670 . A 110 PRO N . 30877 1 636 . 1 . 1 111 111 LEU C C 13 178.403 0.111 . 1 . . 682 . A 111 LEU C . 30877 1 637 . 1 . 1 111 111 LEU CA C 13 59.027 0.106 . 1 . . 677 . A 111 LEU CA . 30877 1 638 . 1 . 1 111 111 LEU CB C 13 41.837 0.086 . 1 . . 678 . A 111 LEU CB . 30877 1 639 . 1 . 1 111 111 LEU CG C 13 27.172 0.151 . 1 . . 679 . A 111 LEU CG . 30877 1 640 . 1 . 1 111 111 LEU CD1 C 13 24.923 0.09 . 1 . . 681 . A 111 LEU CD1 . 30877 1 641 . 1 . 1 111 111 LEU N N 15 128.153 0.134 . 1 . . 676 . A 111 LEU N . 30877 1 642 . 1 . 1 112 112 LYS C C 13 178.100 0.08 . 1 . . 685 . A 112 LYS C . 30877 1 643 . 1 . 1 112 112 LYS CA C 13 60.521 0.113 . 1 . . 683 . A 112 LYS CA . 30877 1 644 . 1 . 1 112 112 LYS CB C 13 32.076 0.1 . 1 . . 684 . A 112 LYS CB . 30877 1 645 . 1 . 1 112 112 LYS CG C 13 26.032 0.12 . 1 . . 852 . A 112 LYS CG . 30877 1 646 . 1 . 1 112 112 LYS CD C 13 29.302 0.103 . 1 . . 854 . A 112 LYS CD . 30877 1 647 . 1 . 1 112 112 LYS CE C 13 41.727 0.095 . 1 . . 853 . A 112 LYS CE . 30877 1 648 . 1 . 1 112 112 LYS N N 15 116.257 0.072 . 1 . . 680 . A 112 LYS N . 30877 1 649 . 1 . 1 113 113 SER C C 13 175.409 0.116 . 1 . . 689 . A 113 SER C . 30877 1 650 . 1 . 1 113 113 SER CA C 13 61.730 0.082 . 1 . . 687 . A 113 SER CA . 30877 1 651 . 1 . 1 113 113 SER CB C 13 63.166 0.095 . 1 . . 688 . A 113 SER CB . 30877 1 652 . 1 . 1 113 113 SER N N 15 112.327 0.088 . 1 . . 686 . A 113 SER N . 30877 1 653 . 1 . 1 114 114 LYS C C 13 176.677 0.124 . 1 . . 747 . A 114 LYS C . 30877 1 654 . 1 . 1 114 114 LYS CA C 13 61.596 0.098 . 1 . . 691 . A 114 LYS CA . 30877 1 655 . 1 . 1 114 114 LYS CB C 13 32.134 0.104 . 1 . . 692 . A 114 LYS CB . 30877 1 656 . 1 . 1 114 114 LYS CG C 13 27.022 0.099 . 1 . . 693 . A 114 LYS CG . 30877 1 657 . 1 . 1 114 114 LYS CD C 13 30.144 0.115 . 1 . . 855 . A 114 LYS CD . 30877 1 658 . 1 . 1 114 114 LYS CE C 13 41.756 0.077 . 1 . . 856 . A 114 LYS CE . 30877 1 659 . 1 . 1 114 114 LYS N N 15 122.742 0.578 . 1 . . 690 . A 114 LYS N . 30877 1 660 . 1 . 1 115 115 MET C C 13 178.357 . . 1 . . 534 . A 115 MET C . 30877 1 661 . 1 . 1 115 115 MET CA C 13 58.849 0.079 . 1 . . 533 . A 115 MET CA . 30877 1 662 . 1 . 1 115 115 MET CB C 13 32.399 0.102 . 1 . . 531 . A 115 MET CB . 30877 1 663 . 1 . 1 115 115 MET CG C 13 30.544 0.086 . 1 . . 535 . A 115 MET CG . 30877 1 664 . 1 . 1 115 115 MET CE C 13 18.103 0.09 . 1 . . 532 . A 115 MET CE . 30877 1 665 . 1 . 1 115 115 MET N N 15 114.389 0.586 . 1 . . 746 . A 115 MET N . 30877 1 666 . 1 . 1 116 116 ILE C C 13 178.998 0.108 . 1 . . 304 . A 116 ILE C . 30877 1 667 . 1 . 1 116 116 ILE CA C 13 66.843 0.116 . 1 . . 298 . A 116 ILE CA . 30877 1 668 . 1 . 1 116 116 ILE CB C 13 38.090 0.078 . 1 . . 300 . A 116 ILE CB . 30877 1 669 . 1 . 1 116 116 ILE CG1 C 13 28.942 0.096 . 1 . . 301 . A 116 ILE CG1 . 30877 1 670 . 1 . 1 116 116 ILE CG2 C 13 18.438 0.095 . 1 . . 302 . A 116 ILE CG2 . 30877 1 671 . 1 . 1 116 116 ILE CD1 C 13 14.027 0.108 . 1 . . 303 . A 116 ILE CD1 . 30877 1 672 . 1 . 1 116 116 ILE N N 15 121.406 0.075 . 1 . . 299 . A 116 ILE N . 30877 1 673 . 1 . 1 117 117 TYR C C 13 180.012 0.142 . 1 . . 295 . A 117 TYR C . 30877 1 674 . 1 . 1 117 117 TYR CA C 13 58.410 0.073 . 1 . . 294 . A 117 TYR CA . 30877 1 675 . 1 . 1 117 117 TYR CB C 13 36.707 0.137 . 1 . . 296 . A 117 TYR CB . 30877 1 676 . 1 . 1 117 117 TYR CG C 13 129.786 0.066 . 1 . . 552 . A 117 TYR CG . 30877 1 677 . 1 . 1 117 117 TYR CD1 C 13 131.716 0.092 . 1 . . 551 . A 117 TYR CD1 . 30877 1 678 . 1 . 1 117 117 TYR CD2 C 13 131.716 0.092 . 1 . . 551 . A 117 TYR CD2 . 30877 1 679 . 1 . 1 117 117 TYR CE1 C 13 117.886 0.133 . 1 . . 768 . A 117 TYR CE1 . 30877 1 680 . 1 . 1 117 117 TYR CE2 C 13 117.886 0.133 . 1 . . 768 . A 117 TYR CE2 . 30877 1 681 . 1 . 1 117 117 TYR N N 15 121.190 0.095 . 1 . . 297 . A 117 TYR N . 30877 1 682 . 1 . 1 118 118 ALA C C 13 178.178 0.068 . 1 . . 34 . A 118 ALA C . 30877 1 683 . 1 . 1 118 118 ALA CA C 13 56.142 0.085 . 1 . . 31 . A 118 ALA CA . 30877 1 684 . 1 . 1 118 118 ALA CB C 13 18.233 0.089 . 1 . . 33 . A 118 ALA CB . 30877 1 685 . 1 . 1 118 118 ALA N N 15 124.832 0.096 . 1 . . 32 . A 118 ALA N . 30877 1 686 . 1 . 1 119 119 SER C C 13 174.778 0.068 . 1 . . 38 . A 119 SER C . 30877 1 687 . 1 . 1 119 119 SER CA C 13 60.916 0.102 . 1 . . 36 . A 119 SER CA . 30877 1 688 . 1 . 1 119 119 SER CB C 13 63.097 0.081 . 1 . . 37 . A 119 SER CB . 30877 1 689 . 1 . 1 119 119 SER N N 15 110.429 0.158 . 1 . . 35 . A 119 SER N . 30877 1 690 . 1 . 1 120 120 SER C C 13 172.100 0.05 . 1 . . 42 . A 120 SER C . 30877 1 691 . 1 . 1 120 120 SER CA C 13 57.407 0.081 . 1 . . 40 . A 120 SER CA . 30877 1 692 . 1 . 1 120 120 SER CB C 13 62.786 0.092 . 1 . . 41 . A 120 SER CB . 30877 1 693 . 1 . 1 120 120 SER N N 15 115.575 0.131 . 1 . . 39 . A 120 SER N . 30877 1 694 . 1 . 1 121 121 LYS C C 13 178.415 0.085 . 1 . . 427 . A 121 LYS C . 30877 1 695 . 1 . 1 121 121 LYS CA C 13 58.765 0.083 . 1 . . 424 . A 121 LYS CA . 30877 1 696 . 1 . 1 121 121 LYS CG C 13 24.065 0.07 . 1 . . 425 . A 121 LYS CG . 30877 1 697 . 1 . 1 121 121 LYS CE C 13 41.869 0.068 . 1 . . 426 . A 121 LYS CE . 30877 1 698 . 1 . 1 121 121 LYS N N 15 123.038 0.123 . 1 . . 43 . A 121 LYS N . 30877 1 699 . 1 . 1 122 122 ASP C C 13 176.010 0.017 . 1 . . 887 . A 122 ASP C . 30877 1 700 . 1 . 1 122 122 ASP CA C 13 56.954 0.06 . 1 . . 885 . A 122 ASP CA . 30877 1 701 . 1 . 1 122 122 ASP CB C 13 40.413 0.126 . 1 . . 886 . A 122 ASP CB . 30877 1 702 . 1 . 1 122 122 ASP CG C 13 179.290 . . 1 . . 888 . A 122 ASP CG . 30877 1 703 . 1 . 1 122 122 ASP N N 15 116.701 0.046 . 1 . . 884 . A 122 ASP N . 30877 1 704 . 1 . 1 123 123 ALA C C 13 178.991 0.055 . 1 . . 272 . A 123 ALA C . 30877 1 705 . 1 . 1 123 123 ALA CA C 13 54.398 0.082 . 1 . . 269 . A 123 ALA CA . 30877 1 706 . 1 . 1 123 123 ALA CB C 13 17.751 0.084 . 1 . . 271 . A 123 ALA CB . 30877 1 707 . 1 . 1 123 123 ALA N N 15 120.420 0.096 . 1 . . 270 . A 123 ALA N . 30877 1 708 . 1 . 1 124 124 ILE C C 13 174.366 0.037 . 1 . . 277 . A 124 ILE C . 30877 1 709 . 1 . 1 124 124 ILE CA C 13 61.698 0.102 . 1 . . 274 . A 124 ILE CA . 30877 1 710 . 1 . 1 124 124 ILE CB C 13 37.132 0.155 . 1 . . 275 . A 124 ILE CB . 30877 1 711 . 1 . 1 124 124 ILE CG1 C 13 27.917 0.115 . 1 . . 639 . A 124 ILE CG1 . 30877 1 712 . 1 . 1 124 124 ILE CG2 C 13 17.240 0.153 . 1 . . 638 . A 124 ILE CG2 . 30877 1 713 . 1 . 1 124 124 ILE CD1 C 13 14.068 0.079 . 1 . . 276 . A 124 ILE CD1 . 30877 1 714 . 1 . 1 124 124 ILE N N 15 112.969 0.163 . 1 . . 273 . A 124 ILE N . 30877 1 715 . 1 . 1 125 125 LYS C C 13 178.779 0.019 . 1 . . 282 . A 125 LYS C . 30877 1 716 . 1 . 1 125 125 LYS CA C 13 58.567 0.152 . 1 . . 279 . A 125 LYS CA . 30877 1 717 . 1 . 1 125 125 LYS CB C 13 31.688 0.085 . 1 . . 280 . A 125 LYS CB . 30877 1 718 . 1 . 1 125 125 LYS CG C 13 24.044 0.194 . 1 . . 281 . A 125 LYS CG . 30877 1 719 . 1 . 1 125 125 LYS CD C 13 29.199 0.069 . 1 . . 897 . A 125 LYS CD . 30877 1 720 . 1 . 1 125 125 LYS CE C 13 41.822 0.038 . 1 . . 719 . A 125 LYS CE . 30877 1 721 . 1 . 1 125 125 LYS N N 15 123.459 0.065 . 1 . . 278 . A 125 LYS N . 30877 1 722 . 1 . 1 126 126 LYS C C 13 177.812 0.138 . 1 . . 287 . A 126 LYS C . 30877 1 723 . 1 . 1 126 126 LYS CA C 13 57.771 0.105 . 1 . . 286 . A 126 LYS CA . 30877 1 724 . 1 . 1 126 126 LYS CB C 13 32.103 0.106 . 1 . . 285 . A 126 LYS CB . 30877 1 725 . 1 . 1 126 126 LYS CG C 13 25.403 0.08 . 1 . . 284 . A 126 LYS CG . 30877 1 726 . 1 . 1 126 126 LYS CD C 13 29.126 0.054 . 1 . . 898 . A 126 LYS CD . 30877 1 727 . 1 . 1 126 126 LYS CE C 13 41.884 . . 1 . . 916 . A 126 LYS CE . 30877 1 728 . 1 . 1 126 126 LYS N N 15 115.767 0.187 . 1 . . 283 . A 126 LYS N . 30877 1 729 . 1 . 1 127 127 LYS C C 13 176.249 0.089 . 1 . . 292 . A 127 LYS C . 30877 1 730 . 1 . 1 127 127 LYS CA C 13 54.569 0.117 . 1 . . 289 . A 127 LYS CA . 30877 1 731 . 1 . 1 127 127 LYS CB C 13 31.426 0.093 . 1 . . 290 . A 127 LYS CB . 30877 1 732 . 1 . 1 127 127 LYS CG C 13 24.177 0.088 . 1 . . 291 . A 127 LYS CG . 30877 1 733 . 1 . 1 127 127 LYS CD C 13 28.040 0.018 . 1 . . 917 . A 127 LYS CD . 30877 1 734 . 1 . 1 127 127 LYS CE C 13 42.466 0.095 . 1 . . 918 . A 127 LYS CE . 30877 1 735 . 1 . 1 127 127 LYS N N 15 115.716 0.195 . 1 . . 288 . A 127 LYS N . 30877 1 736 . 1 . 1 128 128 PHE C C 13 174.479 0.063 . 1 . . 527 . A 128 PHE C . 30877 1 737 . 1 . 1 128 128 PHE CA C 13 51.162 0.117 . 1 . . 525 . A 128 PHE CA . 30877 1 738 . 1 . 1 128 128 PHE CB C 13 34.892 0.081 . 1 . . 526 . A 128 PHE CB . 30877 1 739 . 1 . 1 128 128 PHE CG C 13 138.476 0.132 . 1 . . 529 . A 128 PHE CG . 30877 1 740 . 1 . 1 128 128 PHE CD1 C 13 128.998 0.105 . 1 . . 528 . A 128 PHE CD1 . 30877 1 741 . 1 . 1 128 128 PHE CD2 C 13 128.998 0.105 . 1 . . 528 . A 128 PHE CD2 . 30877 1 742 . 1 . 1 128 128 PHE CE1 C 13 127.646 0.045 . 1 . . 530 . A 128 PHE CE1 . 30877 1 743 . 1 . 1 128 128 PHE CE2 C 13 127.646 0.045 . 1 . . 530 . A 128 PHE CE2 . 30877 1 744 . 1 . 1 128 128 PHE N N 15 123.791 0.092 . 1 . . 293 . A 128 PHE N . 30877 1 745 . 1 . 1 129 129 THR C C 13 175.846 0.064 . 1 . . 309 . A 129 THR C . 30877 1 746 . 1 . 1 129 129 THR CA C 13 61.822 0.089 . 1 . . 306 . A 129 THR CA . 30877 1 747 . 1 . 1 129 129 THR CB C 13 69.459 0.097 . 1 . . 307 . A 129 THR CB . 30877 1 748 . 1 . 1 129 129 THR CG2 C 13 21.892 0.141 . 1 . . 308 . A 129 THR CG2 . 30877 1 749 . 1 . 1 129 129 THR N N 15 114.527 0.198 . 1 . . 305 . A 129 THR N . 30877 1 750 . 1 . 1 130 130 GLY C C 13 175.008 0.023 . 1 . . 312 . A 130 GLY C . 30877 1 751 . 1 . 1 130 130 GLY CA C 13 45.181 0.141 . 1 . . 311 . A 130 GLY CA . 30877 1 752 . 1 . 1 130 130 GLY N N 15 113.511 0.139 . 1 . . 310 . A 130 GLY N . 30877 1 753 . 1 . 1 131 131 ILE C C 13 176.444 0.116 . 1 . . 480 . A 131 ILE C . 30877 1 754 . 1 . 1 131 131 ILE CA C 13 60.146 0.137 . 1 . . 478 . A 131 ILE CA . 30877 1 755 . 1 . 1 131 131 ILE CB C 13 38.481 0.142 . 1 . . 479 . A 131 ILE CB . 30877 1 756 . 1 . 1 131 131 ILE CG1 C 13 27.131 0.13 . 1 . . 877 . A 131 ILE CG1 . 30877 1 757 . 1 . 1 131 131 ILE CG2 C 13 18.374 0.107 . 1 . . 878 . A 131 ILE CG2 . 30877 1 758 . 1 . 1 131 131 ILE CD1 C 13 15.279 0.135 . 1 . . 876 . A 131 ILE CD1 . 30877 1 759 . 1 . 1 131 131 ILE N N 15 119.748 0.149 . 1 . . 313 . A 131 ILE N . 30877 1 760 . 1 . 1 132 132 LYS C C 13 175.459 . . 1 . . 580 . A 132 LYS C . 30877 1 761 . 1 . 1 132 132 LYS CA C 13 57.049 0.073 . 1 . . 575 . A 132 LYS CA . 30877 1 762 . 1 . 1 132 132 LYS CB C 13 32.998 0.069 . 1 . . 576 . A 132 LYS CB . 30877 1 763 . 1 . 1 132 132 LYS CG C 13 24.654 0.104 . 1 . . 578 . A 132 LYS CG . 30877 1 764 . 1 . 1 132 132 LYS CD C 13 29.206 0.086 . 1 . . 577 . A 132 LYS CD . 30877 1 765 . 1 . 1 132 132 LYS CE C 13 41.865 0.111 . 1 . . 579 . A 132 LYS CE . 30877 1 766 . 1 . 1 132 132 LYS N N 15 127.344 0.103 . 1 . . 481 . A 132 LYS N . 30877 1 767 . 1 . 1 133 133 HIS C C 13 174.021 0.101 . 1 . . 581 . A 133 HIS C . 30877 1 768 . 1 . 1 133 133 HIS CA C 13 55.658 0.128 . 1 . . 417 . A 133 HIS CA . 30877 1 769 . 1 . 1 133 133 HIS CB C 13 32.728 0.066 . 1 . . 418 . A 133 HIS CB . 30877 1 770 . 1 . 1 133 133 HIS CG C 13 129.854 0.072 . 1 . . 420 . A 133 HIS CG . 30877 1 771 . 1 . 1 133 133 HIS CD2 C 13 125.516 0.039 . 1 . . 777 . A 133 HIS CD2 . 30877 1 772 . 1 . 1 133 133 HIS CE1 C 13 135.818 0.079 . 1 . . 778 . A 133 HIS CE1 . 30877 1 773 . 1 . 1 133 133 HIS N N 15 118.151 . . 1 . . 419 . A 133 HIS N . 30877 1 774 . 1 . 1 134 134 GLU C C 13 174.518 0.194 . 1 . . 750 . A 134 GLU C . 30877 1 775 . 1 . 1 134 134 GLU CA C 13 54.466 0.076 . 1 . . 583 . A 134 GLU CA . 30877 1 776 . 1 . 1 134 134 GLU CB C 13 31.700 0.121 . 1 . . 584 . A 134 GLU CB . 30877 1 777 . 1 . 1 134 134 GLU CG C 13 36.207 0.099 . 1 . . 585 . A 134 GLU CG . 30877 1 778 . 1 . 1 134 134 GLU CD C 13 182.220 . . 1 . . 586 . A 134 GLU CD . 30877 1 779 . 1 . 1 134 134 GLU N N 15 125.650 0.102 . 1 . . 582 . A 134 GLU N . 30877 1 780 . 1 . 1 135 135 TRP C C 13 173.063 0.072 . 1 . . 509 . A 135 TRP C . 30877 1 781 . 1 . 1 135 135 TRP CA C 13 52.912 0.107 . 1 . . 502 . A 135 TRP CA . 30877 1 782 . 1 . 1 135 135 TRP CB C 13 34.037 0.127 . 1 . . 504 . A 135 TRP CB . 30877 1 783 . 1 . 1 135 135 TRP CG C 13 110.993 0.139 . 1 . . 503 . A 135 TRP CG . 30877 1 784 . 1 . 1 135 135 TRP CD1 C 13 122.888 . . 1 . . 506 . A 135 TRP CD1 . 30877 1 785 . 1 . 1 135 135 TRP CE2 C 13 136.797 0.034 . 1 . . 507 . A 135 TRP CE2 . 30877 1 786 . 1 . 1 135 135 TRP CE3 C 13 118.063 0.032 . 1 . . 505 . A 135 TRP CE3 . 30877 1 787 . 1 . 1 135 135 TRP N N 15 130.809 0.147 . 1 . . 508 . A 135 TRP N . 30877 1 788 . 1 . 1 136 136 GLN C C 13 172.945 0.067 . 1 . . 514 . A 136 GLN C . 30877 1 789 . 1 . 1 136 136 GLN CA C 13 55.843 0.114 . 1 . . 510 . A 136 GLN CA . 30877 1 790 . 1 . 1 136 136 GLN CB C 13 31.406 0.071 . 1 . . 512 . A 136 GLN CB . 30877 1 791 . 1 . 1 136 136 GLN CG C 13 35.401 0.071 . 1 . . 513 . A 136 GLN CG . 30877 1 792 . 1 . 1 136 136 GLN CD C 13 181.501 0.011 . 1 . . 749 . A 136 GLN CD . 30877 1 793 . 1 . 1 136 136 GLN N N 15 132.479 0.17 . 1 . . 511 . A 136 GLN N . 30877 1 794 . 1 . 1 137 137 VAL C C 13 173.888 0.124 . 1 . . 268 . A 137 VAL C . 30877 1 795 . 1 . 1 137 137 VAL CA C 13 61.158 0.075 . 1 . . 264 . A 137 VAL CA . 30877 1 796 . 1 . 1 137 137 VAL CB C 13 34.088 0.131 . 1 . . 266 . A 137 VAL CB . 30877 1 797 . 1 . 1 137 137 VAL CG1 C 13 23.530 0.101 . 2 . . 267 . A 137 VAL CG1 . 30877 1 798 . 1 . 1 137 137 VAL CG2 C 13 18.688 0.128 . 2 . . 770 . A 137 VAL CG2 . 30877 1 799 . 1 . 1 137 137 VAL N N 15 128.429 0.145 . 1 . . 265 . A 137 VAL N . 30877 1 800 . 1 . 1 138 138 ASN C C 13 173.474 0.068 . 1 . . 253 . A 138 ASN C . 30877 1 801 . 1 . 1 138 138 ASN CA C 13 53.119 0.095 . 1 . . 250 . A 138 ASN CA . 30877 1 802 . 1 . 1 138 138 ASN CB C 13 40.668 0.114 . 1 . . 252 . A 138 ASN CB . 30877 1 803 . 1 . 1 138 138 ASN CG C 13 175.897 0.021 . 1 . . 254 . A 138 ASN CG . 30877 1 804 . 1 . 1 138 138 ASN N N 15 123.610 0.138 . 1 . . 251 . A 138 ASN N . 30877 1 805 . 1 . 1 138 138 ASN ND2 N 15 108.720 0.012 . 1 . . 255 . A 138 ASN ND2 . 30877 1 806 . 1 . 1 139 139 GLY C C 13 173.364 0.041 . 1 . . 257 . A 139 GLY C . 30877 1 807 . 1 . 1 139 139 GLY CA C 13 45.440 0.103 . 1 . . 256 . A 139 GLY CA . 30877 1 808 . 1 . 1 139 139 GLY N N 15 105.328 0.123 . 1 . . 71 . A 139 GLY N . 30877 1 809 . 1 . 1 140 140 LEU C C 13 178.475 0.084 . 1 . . 262 . A 140 LEU C . 30877 1 810 . 1 . 1 140 140 LEU CA C 13 57.228 0.12 . 1 . . 259 . A 140 LEU CA . 30877 1 811 . 1 . 1 140 140 LEU CB C 13 42.171 0.022 . 1 . . 260 . A 140 LEU CB . 30877 1 812 . 1 . 1 140 140 LEU CG C 13 26.880 0.078 . 1 . . 261 . A 140 LEU CG . 30877 1 813 . 1 . 1 140 140 LEU CD1 C 13 24.486 0.105 . 2 . . 593 . A 140 LEU CD1 . 30877 1 814 . 1 . 1 140 140 LEU CD2 C 13 22.959 0.101 . 2 . . 594 . A 140 LEU CD2 . 30877 1 815 . 1 . 1 140 140 LEU N N 15 125.187 0.163 . 1 . . 258 . A 140 LEU N . 30877 1 816 . 1 . 1 141 141 ASP CA C 13 56.561 0.105 . 1 . . 558 . A 141 ASP CA . 30877 1 817 . 1 . 1 141 141 ASP CB C 13 40.475 0.095 . 1 . . 559 . A 141 ASP CB . 30877 1 818 . 1 . 1 141 141 ASP N N 15 118.356 0.143 . 1 . . 263 . A 141 ASP N . 30877 1 819 . 1 . 1 143 143 ILE C C 13 175.358 0.046 . 1 . . 850 . A 143 ILE C . 30877 1 820 . 1 . 1 143 143 ILE CA C 13 60.632 0.099 . 1 . . 776 . A 143 ILE CA . 30877 1 821 . 1 . 1 143 143 ILE CB C 13 42.229 0.082 . 1 . . 773 . A 143 ILE CB . 30877 1 822 . 1 . 1 143 143 ILE CG1 C 13 31.989 0.123 . 1 . . 928 . A 143 ILE CG1 . 30877 1 823 . 1 . 1 143 143 ILE CG2 C 13 15.844 0.098 . 1 . . 775 . A 143 ILE CG2 . 30877 1 824 . 1 . 1 143 143 ILE CD1 C 13 14.053 0.089 . 1 . . 771 . A 143 ILE CD1 . 30877 1 825 . 1 . 1 143 143 ILE N N 15 114.450 0.674 . 1 . . 772 . A 143 ILE N . 30877 1 826 . 1 . 1 144 144 LYS C C 13 174.720 0.13 . 1 . . 745 . A 144 LYS C . 30877 1 827 . 1 . 1 144 144 LYS CA C 13 54.745 0.078 . 1 . . 740 . A 144 LYS CA . 30877 1 828 . 1 . 1 144 144 LYS CB C 13 34.735 0.112 . 1 . . 741 . A 144 LYS CB . 30877 1 829 . 1 . 1 144 144 LYS CG C 13 24.276 0.098 . 1 . . 743 . A 144 LYS CG . 30877 1 830 . 1 . 1 144 144 LYS CD C 13 28.563 0.097 . 1 . . 742 . A 144 LYS CD . 30877 1 831 . 1 . 1 144 144 LYS CE C 13 42.150 0.019 . 1 . . 744 . A 144 LYS CE . 30877 1 832 . 1 . 1 144 144 LYS N N 15 116.595 0.569 . 1 . . 739 . A 144 LYS N . 30877 1 833 . 1 . 1 145 145 ASP C C 13 176.970 0.008 . 1 . . 325 . A 145 ASP C . 30877 1 834 . 1 . 1 145 145 ASP CA C 13 53.529 0.173 . 1 . . 324 . A 145 ASP CA . 30877 1 835 . 1 . 1 145 145 ASP CB C 13 42.415 0.113 . 1 . . 327 . A 145 ASP CB . 30877 1 836 . 1 . 1 145 145 ASP CG C 13 180.029 0.036 . 1 . . 461 . A 145 ASP CG . 30877 1 837 . 1 . 1 145 145 ASP N N 15 117.481 0.169 . 1 . . 460 . A 145 ASP N . 30877 1 838 . 1 . 1 146 146 ARG CA C 13 58.904 0.108 . 1 . . 669 . A 146 ARG CA . 30877 1 839 . 1 . 1 146 146 ARG CB C 13 29.775 0.09 . 1 . . 666 . A 146 ARG CB . 30877 1 840 . 1 . 1 146 146 ARG CG C 13 28.857 0.08 . 1 . . 668 . A 146 ARG CG . 30877 1 841 . 1 . 1 146 146 ARG CD C 13 43.021 0.073 . 1 . . 328 . A 146 ARG CD . 30877 1 842 . 1 . 1 146 146 ARG CZ C 13 159.114 0.072 . 1 . . 667 . A 146 ARG CZ . 30877 1 843 . 1 . 1 146 146 ARG N N 15 128.208 0.06 . 1 . . 326 . A 146 ARG N . 30877 1 844 . 1 . 1 147 147 SER C C 13 176.447 0.114 . 1 . . 375 . A 147 SER C . 30877 1 845 . 1 . 1 147 147 SER CA C 13 60.808 0.1 . 1 . . 373 . A 147 SER CA . 30877 1 846 . 1 . 1 147 147 SER CB C 13 62.104 0.119 . 1 . . 374 . A 147 SER CB . 30877 1 847 . 1 . 1 147 147 SER N N 15 113.885 0.029 . 1 . . 372 . A 147 SER N . 30877 1 848 . 1 . 1 148 148 THR C C 13 177.411 0.067 . 1 . . 600 . A 148 THR C . 30877 1 849 . 1 . 1 148 148 THR CA C 13 64.988 0.079 . 1 . . 596 . A 148 THR CA . 30877 1 850 . 1 . 1 148 148 THR CB C 13 67.797 0.104 . 1 . . 597 . A 148 THR CB . 30877 1 851 . 1 . 1 148 148 THR CG2 C 13 22.645 0.098 . 1 . . 598 . A 148 THR CG2 . 30877 1 852 . 1 . 1 148 148 THR N N 15 119.274 0.063 . 1 . . 595 . A 148 THR N . 30877 1 853 . 1 . 1 149 149 LEU C C 13 178.292 0.072 . 1 . . 605 . A 149 LEU C . 30877 1 854 . 1 . 1 149 149 LEU CA C 13 56.588 0.091 . 1 . . 601 . A 149 LEU CA . 30877 1 855 . 1 . 1 149 149 LEU CB C 13 38.484 0.115 . 1 . . 602 . A 149 LEU CB . 30877 1 856 . 1 . 1 149 149 LEU CG C 13 26.762 0.1 . 1 . . 603 . A 149 LEU CG . 30877 1 857 . 1 . 1 149 149 LEU CD1 C 13 22.116 0.084 . 1 . . 604 . A 149 LEU CD1 . 30877 1 858 . 1 . 1 149 149 LEU N N 15 127.067 0.35 . 1 . . 599 . A 149 LEU N . 30877 1 859 . 1 . 1 150 150 GLY C C 13 174.316 0.026 . 1 . . 431 . A 150 GLY C . 30877 1 860 . 1 . 1 150 150 GLY CA C 13 47.502 0.143 . 1 . . 430 . A 150 GLY CA . 30877 1 861 . 1 . 1 150 150 GLY N N 15 105.599 0.31 . 1 . . 429 . A 150 GLY N . 30877 1 862 . 1 . 1 151 151 GLU C C 13 178.524 0.024 . 1 . . 436 . A 151 GLU C . 30877 1 863 . 1 . 1 151 151 GLU CA C 13 58.991 0.073 . 1 . . 435 . A 151 GLU CA . 30877 1 864 . 1 . 1 151 151 GLU CB C 13 29.094 0.129 . 1 . . 433 . A 151 GLU CB . 30877 1 865 . 1 . 1 151 151 GLU CG C 13 35.777 0.157 . 1 . . 434 . A 151 GLU CG . 30877 1 866 . 1 . 1 151 151 GLU CD C 13 183.190 0.08 . 1 . . 438 . A 151 GLU CD . 30877 1 867 . 1 . 1 151 151 GLU N N 15 120.988 0.156 . 1 . . 432 . A 151 GLU N . 30877 1 868 . 1 . 1 152 152 LYS C C 13 176.617 0.048 . 1 . . 471 . A 152 LYS C . 30877 1 869 . 1 . 1 152 152 LYS CA C 13 58.698 0.07 . 1 . . 441 . A 152 LYS CA . 30877 1 870 . 1 . 1 152 152 LYS CB C 13 31.122 0.113 . 1 . . 440 . A 152 LYS CB . 30877 1 871 . 1 . 1 152 152 LYS CG C 13 23.510 0.091 . 1 . . 439 . A 152 LYS CG . 30877 1 872 . 1 . 1 152 152 LYS CD C 13 27.467 0.103 . 1 . . 606 . A 152 LYS CD . 30877 1 873 . 1 . 1 152 152 LYS CE C 13 41.968 0.095 . 1 . . 607 . A 152 LYS CE . 30877 1 874 . 1 . 1 152 152 LYS N N 15 122.211 0.055 . 1 . . 437 . A 152 LYS N . 30877 1 875 . 1 . 1 153 153 LEU C C 13 176.560 0.092 . 1 . . 475 . A 153 LEU C . 30877 1 876 . 1 . 1 153 153 LEU CA C 13 55.283 0.149 . 1 . . 473 . A 153 LEU CA . 30877 1 877 . 1 . 1 153 153 LEU CB C 13 41.529 0.134 . 1 . . 474 . A 153 LEU CB . 30877 1 878 . 1 . 1 153 153 LEU CG C 13 24.914 0.141 . 1 . . 893 . A 153 LEU CG . 30877 1 879 . 1 . 1 153 153 LEU CD1 C 13 19.164 0.108 . 1 . . 894 . A 153 LEU CD1 . 30877 1 880 . 1 . 1 153 153 LEU N N 15 118.288 0.132 . 1 . . 472 . A 153 LEU N . 30877 1 881 . 1 . 1 154 154 GLY CA C 13 47.713 0.134 . 1 . . 477 . A 154 GLY CA . 30877 1 882 . 1 . 1 154 154 GLY N N 15 104.744 0.019 . 1 . . 476 . A 154 GLY N . 30877 1 883 . 1 . 1 156 156 ASN C C 13 176.350 0.042 . 1 . . 612 . A 156 ASN C . 30877 1 884 . 1 . 1 156 156 ASN CA C 13 56.530 0.079 . 1 . . 611 . A 156 ASN CA . 30877 1 885 . 1 . 1 156 156 ASN CB C 13 40.634 0.112 . 1 . . 610 . A 156 ASN CB . 30877 1 886 . 1 . 1 156 156 ASN CG C 13 177.241 . . 1 . . 634 . A 156 ASN CG . 30877 1 887 . 1 . 1 156 156 ASN N N 15 123.310 0.011 . 1 . . 609 . A 156 ASN N . 30877 1 888 . 1 . 1 157 157 VAL C C 13 175.172 0.092 . 1 . . 618 . A 157 VAL C . 30877 1 889 . 1 . 1 157 157 VAL CA C 13 61.842 0.172 . 1 . . 614 . A 157 VAL CA . 30877 1 890 . 1 . 1 157 157 VAL CB C 13 32.059 0.085 . 1 . . 615 . A 157 VAL CB . 30877 1 891 . 1 . 1 157 157 VAL CG1 C 13 19.277 0.115 . 2 . . 616 . A 157 VAL CG1 . 30877 1 892 . 1 . 1 157 157 VAL CG2 C 13 21.106 0.108 . 2 . . 617 . A 157 VAL CG2 . 30877 1 893 . 1 . 1 157 157 VAL N N 15 112.291 0.127 . 1 . . 613 . A 157 VAL N . 30877 1 894 . 1 . 1 158 158 VAL C C 13 175.288 0.056 . 1 . . 623 . A 158 VAL C . 30877 1 895 . 1 . 1 158 158 VAL CA C 13 63.590 0.085 . 1 . . 620 . A 158 VAL CA . 30877 1 896 . 1 . 1 158 158 VAL CB C 13 30.988 0.146 . 1 . . 621 . A 158 VAL CB . 30877 1 897 . 1 . 1 158 158 VAL CG1 C 13 22.324 0.086 . 1 . . 622 . A 158 VAL CG1 . 30877 1 898 . 1 . 1 158 158 VAL N N 15 122.963 0.126 . 1 . . 619 . A 158 VAL N . 30877 1 899 . 1 . 1 159 159 VAL C C 13 176.356 0.016 . 1 . . 629 . A 159 VAL C . 30877 1 900 . 1 . 1 159 159 VAL CA C 13 61.635 0.102 . 1 . . 625 . A 159 VAL CA . 30877 1 901 . 1 . 1 159 159 VAL CB C 13 33.038 0.089 . 1 . . 626 . A 159 VAL CB . 30877 1 902 . 1 . 1 159 159 VAL CG1 C 13 19.243 0.09 . 2 . . 627 . A 159 VAL CG1 . 30877 1 903 . 1 . 1 159 159 VAL CG2 C 13 21.037 0.074 . 2 . . 628 . A 159 VAL CG2 . 30877 1 904 . 1 . 1 159 159 VAL N N 15 122.655 0.115 . 1 . . 624 . A 159 VAL N . 30877 1 905 . 1 . 1 160 160 SER C C 13 170.964 0.127 . 1 . . 633 . A 160 SER C . 30877 1 906 . 1 . 1 160 160 SER CA C 13 56.870 0.102 . 1 . . 631 . A 160 SER CA . 30877 1 907 . 1 . 1 160 160 SER CB C 13 64.602 0.109 . 1 . . 632 . A 160 SER CB . 30877 1 908 . 1 . 1 160 160 SER N N 15 116.724 0.188 . 1 . . 630 . A 160 SER N . 30877 1 909 . 1 . 1 161 161 LEU C C 13 175.887 0.079 . 1 . . 106 . A 161 LEU C . 30877 1 910 . 1 . 1 161 161 LEU CA C 13 54.735 0.136 . 1 . . 102 . A 161 LEU CA . 30877 1 911 . 1 . 1 161 161 LEU CB C 13 45.900 0.118 . 1 . . 104 . A 161 LEU CB . 30877 1 912 . 1 . 1 161 161 LEU CG C 13 27.978 0.157 . 1 . . 105 . A 161 LEU CG . 30877 1 913 . 1 . 1 161 161 LEU CD1 C 13 26.384 0.092 . 2 . . 644 . A 161 LEU CD1 . 30877 1 914 . 1 . 1 161 161 LEU CD2 C 13 23.809 0.132 . 2 . . 645 . A 161 LEU CD2 . 30877 1 915 . 1 . 1 161 161 LEU N N 15 122.478 0.097 . 1 . . 103 . A 161 LEU N . 30877 1 916 . 1 . 1 162 162 GLU C C 13 176.441 0.058 . 1 . . 97 . A 162 GLU C . 30877 1 917 . 1 . 1 162 162 GLU CA C 13 55.495 0.102 . 1 . . 92 . A 162 GLU CA . 30877 1 918 . 1 . 1 162 162 GLU CB C 13 25.795 0.144 . 1 . . 93 . A 162 GLU CB . 30877 1 919 . 1 . 1 162 162 GLU CG C 13 34.223 0.11 . 1 . . 95 . A 162 GLU CG . 30877 1 920 . 1 . 1 162 162 GLU CD C 13 182.887 0.042 . 1 . . 96 . A 162 GLU CD . 30877 1 921 . 1 . 1 162 162 GLU N N 15 128.245 0.155 . 1 . . 94 . A 162 GLU N . 30877 1 922 . 1 . 1 163 163 GLY C C 13 173.356 . . 1 . . 100 . A 163 GLY C . 30877 1 923 . 1 . 1 163 163 GLY CA C 13 44.857 0.108 . 1 . . 99 . A 163 GLY CA . 30877 1 924 . 1 . 1 163 163 GLY N N 15 107.288 0.183 . 1 . . 98 . A 163 GLY N . 30877 1 925 . 1 . 1 164 164 LYS C C 13 178.368 0.075 . 1 . . 882 . A 164 LYS C . 30877 1 926 . 1 . 1 164 164 LYS CA C 13 52.345 0.191 . 1 . . 568 . A 164 LYS CA . 30877 1 927 . 1 . 1 164 164 LYS CB C 13 33.589 0.11 . 1 . . 569 . A 164 LYS CB . 30877 1 928 . 1 . 1 164 164 LYS CG C 13 24.593 0.083 . 1 . . 570 . A 164 LYS CG . 30877 1 929 . 1 . 1 164 164 LYS CD C 13 28.896 0.081 . 1 . . 571 . A 164 LYS CD . 30877 1 930 . 1 . 1 164 164 LYS CE C 13 42.043 0.11 . 1 . . 572 . A 164 LYS CE . 30877 1 931 . 1 . 1 164 164 LYS N N 15 121.615 0.077 . 1 . . 101 . A 164 LYS N . 30877 1 932 . 1 . 1 165 165 PRO C C 13 175.984 0.06 . 1 . . 711 . A 165 PRO C . 30877 1 933 . 1 . 1 165 165 PRO CA C 13 62.770 0.103 . 1 . . 707 . A 165 PRO CA . 30877 1 934 . 1 . 1 165 165 PRO CB C 13 32.105 0.062 . 1 . . 709 . A 165 PRO CB . 30877 1 935 . 1 . 1 165 165 PRO CG C 13 27.128 0.065 . 1 . . 710 . A 165 PRO CG . 30877 1 936 . 1 . 1 165 165 PRO CD C 13 50.915 0.086 . 1 . . 708 . A 165 PRO CD . 30877 1 937 . 1 . 1 165 165 PRO N N 15 137.499 0.594 . 1 . . 706 . A 165 PRO N . 30877 1 938 . 1 . 1 166 166 LEU C C 13 180.328 0.01 . 1 . . 716 . A 166 LEU C . 30877 1 939 . 1 . 1 166 166 LEU CA C 13 56.522 0.054 . 1 . . 713 . A 166 LEU CA . 30877 1 940 . 1 . 1 166 166 LEU CB C 13 42.760 0.106 . 1 . . 714 . A 166 LEU CB . 30877 1 941 . 1 . 1 166 166 LEU CG C 13 27.715 0.075 . 1 . . 715 . A 166 LEU CG . 30877 1 942 . 1 . 1 166 166 LEU N N 15 130.261 0.103 . 1 . . 712 . A 166 LEU N . 30877 1 stop_ save_