data_28035 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28035 _Entry.Title ; Solid-state NMR assignments of the human H3 in the Widom '601' nucleosome core particle ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-10-31 _Entry.Accession_date 2019-10-31 _Entry.Last_release_date 2019-11-01 _Entry.Original_release_date 2019-11-01 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLID-STATE _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 Xiangyan Shi . . . . 28035 2 Chinmayi Prasanna . . . . 28035 3 Lars Nordenskiold . . . . 28035 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28035 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 387 28035 '15N chemical shifts' 94 28035 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 . . 2020-04-17 2019-10-31 update BMRB 'update entry citation' 28035 1 . . 2020-01-07 2019-10-31 original author 'original release' 28035 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 28035 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI 10.1007/s12104-020-09927-w _Citation.Full_citation . _Citation.Title ; Solid-state NMR 13C, 15N assignments of human histone H3 in the nucleosome core particle ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 99 _Citation.Page_last 104 _Citation.Year 2020 _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 Xiangyan Shi . . . . 28035 1 2 Chinmayi Prasanna . . . . 28035 1 3 Konstantin Pervushin . . . . 28035 1 4 Lars Nordenskiold . . . . 28035 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28035 _Assembly.ID 1 _Assembly.Name 'nucleosome core particle' _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 ; The system contain: human histone H3; histone H4; human histone H2A; human histone H2B; Widom 601 DNA. ; _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 'human histone H3' 1 $human_histone_H3 A . yes native no no . . . 28035 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_human_histone_H3 _Entity.Sf_category entity _Entity.Sf_framecode human_histone_H3 _Entity.Entry_ID 28035 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name human_histone_H3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ARTKQTARKSTGGKAPRKQL ATKAARKSAPATGGVKKPHR YRPGTVALREIRRYQKSTEL LIRKLPFQRLVREIAQDFKT DLRFQSSAVMALQEACEAYL VGLFEDTNLCAIHAKRVTIM PKDIQLARRIRGERA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 135 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 28035 1 2 . ARG . 28035 1 3 . THR . 28035 1 4 . LYS . 28035 1 5 . GLN . 28035 1 6 . THR . 28035 1 7 . ALA . 28035 1 8 . ARG . 28035 1 9 . LYS . 28035 1 10 . SER . 28035 1 11 . THR . 28035 1 12 . GLY . 28035 1 13 . GLY . 28035 1 14 . LYS . 28035 1 15 . ALA . 28035 1 16 . PRO . 28035 1 17 . ARG . 28035 1 18 . LYS . 28035 1 19 . GLN . 28035 1 20 . LEU . 28035 1 21 . ALA . 28035 1 22 . THR . 28035 1 23 . LYS . 28035 1 24 . ALA . 28035 1 25 . ALA . 28035 1 26 . ARG . 28035 1 27 . LYS . 28035 1 28 . SER . 28035 1 29 . ALA . 28035 1 30 . PRO . 28035 1 31 . ALA . 28035 1 32 . THR . 28035 1 33 . GLY . 28035 1 34 . GLY . 28035 1 35 . VAL . 28035 1 36 . LYS . 28035 1 37 . LYS . 28035 1 38 . PRO . 28035 1 39 . HIS . 28035 1 40 . ARG . 28035 1 41 . TYR . 28035 1 42 . ARG . 28035 1 43 . PRO . 28035 1 44 . GLY . 28035 1 45 . THR . 28035 1 46 . VAL . 28035 1 47 . ALA . 28035 1 48 . LEU . 28035 1 49 . ARG . 28035 1 50 . GLU . 28035 1 51 . ILE . 28035 1 52 . ARG . 28035 1 53 . ARG . 28035 1 54 . TYR . 28035 1 55 . GLN . 28035 1 56 . LYS . 28035 1 57 . SER . 28035 1 58 . THR . 28035 1 59 . GLU . 28035 1 60 . LEU . 28035 1 61 . LEU . 28035 1 62 . ILE . 28035 1 63 . ARG . 28035 1 64 . LYS . 28035 1 65 . LEU . 28035 1 66 . PRO . 28035 1 67 . PHE . 28035 1 68 . GLN . 28035 1 69 . ARG . 28035 1 70 . LEU . 28035 1 71 . VAL . 28035 1 72 . ARG . 28035 1 73 . GLU . 28035 1 74 . ILE . 28035 1 75 . ALA . 28035 1 76 . GLN . 28035 1 77 . ASP . 28035 1 78 . PHE . 28035 1 79 . LYS . 28035 1 80 . THR . 28035 1 81 . ASP . 28035 1 82 . LEU . 28035 1 83 . ARG . 28035 1 84 . PHE . 28035 1 85 . GLN . 28035 1 86 . SER . 28035 1 87 . SER . 28035 1 88 . ALA . 28035 1 89 . VAL . 28035 1 90 . MET . 28035 1 91 . ALA . 28035 1 92 . LEU . 28035 1 93 . GLN . 28035 1 94 . GLU . 28035 1 95 . ALA . 28035 1 96 . CYS . 28035 1 97 . GLU . 28035 1 98 . ALA . 28035 1 99 . TYR . 28035 1 100 . LEU . 28035 1 101 . VAL . 28035 1 102 . GLY . 28035 1 103 . LEU . 28035 1 104 . PHE . 28035 1 105 . GLU . 28035 1 106 . ASP . 28035 1 107 . THR . 28035 1 108 . ASN . 28035 1 109 . LEU . 28035 1 110 . CYS . 28035 1 111 . ALA . 28035 1 112 . ILE . 28035 1 113 . HIS . 28035 1 114 . ALA . 28035 1 115 . LYS . 28035 1 116 . ARG . 28035 1 117 . VAL . 28035 1 118 . THR . 28035 1 119 . ILE . 28035 1 120 . MET . 28035 1 121 . PRO . 28035 1 122 . LYS . 28035 1 123 . ASP . 28035 1 124 . ILE . 28035 1 125 . GLN . 28035 1 126 . LEU . 28035 1 127 . ALA . 28035 1 128 . ARG . 28035 1 129 . ARG . 28035 1 130 . ILE . 28035 1 131 . ARG . 28035 1 132 . GLY . 28035 1 133 . GLU . 28035 1 134 . ARG . 28035 1 135 . ALA . 28035 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 . ALA 1 1 28035 1 . ARG 2 2 28035 1 . THR 3 3 28035 1 . LYS 4 4 28035 1 . GLN 5 5 28035 1 . THR 6 6 28035 1 . ALA 7 7 28035 1 . ARG 8 8 28035 1 . LYS 9 9 28035 1 . SER 10 10 28035 1 . THR 11 11 28035 1 . GLY 12 12 28035 1 . GLY 13 13 28035 1 . LYS 14 14 28035 1 . ALA 15 15 28035 1 . PRO 16 16 28035 1 . ARG 17 17 28035 1 . LYS 18 18 28035 1 . GLN 19 19 28035 1 . LEU 20 20 28035 1 . ALA 21 21 28035 1 . THR 22 22 28035 1 . LYS 23 23 28035 1 . ALA 24 24 28035 1 . ALA 25 25 28035 1 . ARG 26 26 28035 1 . LYS 27 27 28035 1 . SER 28 28 28035 1 . ALA 29 29 28035 1 . PRO 30 30 28035 1 . ALA 31 31 28035 1 . THR 32 32 28035 1 . GLY 33 33 28035 1 . GLY 34 34 28035 1 . VAL 35 35 28035 1 . LYS 36 36 28035 1 . LYS 37 37 28035 1 . PRO 38 38 28035 1 . HIS 39 39 28035 1 . ARG 40 40 28035 1 . TYR 41 41 28035 1 . ARG 42 42 28035 1 . PRO 43 43 28035 1 . GLY 44 44 28035 1 . THR 45 45 28035 1 . VAL 46 46 28035 1 . ALA 47 47 28035 1 . LEU 48 48 28035 1 . ARG 49 49 28035 1 . GLU 50 50 28035 1 . ILE 51 51 28035 1 . ARG 52 52 28035 1 . ARG 53 53 28035 1 . TYR 54 54 28035 1 . GLN 55 55 28035 1 . LYS 56 56 28035 1 . SER 57 57 28035 1 . THR 58 58 28035 1 . GLU 59 59 28035 1 . LEU 60 60 28035 1 . LEU 61 61 28035 1 . ILE 62 62 28035 1 . ARG 63 63 28035 1 . LYS 64 64 28035 1 . LEU 65 65 28035 1 . PRO 66 66 28035 1 . PHE 67 67 28035 1 . GLN 68 68 28035 1 . ARG 69 69 28035 1 . LEU 70 70 28035 1 . VAL 71 71 28035 1 . ARG 72 72 28035 1 . GLU 73 73 28035 1 . ILE 74 74 28035 1 . ALA 75 75 28035 1 . GLN 76 76 28035 1 . ASP 77 77 28035 1 . PHE 78 78 28035 1 . LYS 79 79 28035 1 . THR 80 80 28035 1 . ASP 81 81 28035 1 . LEU 82 82 28035 1 . ARG 83 83 28035 1 . PHE 84 84 28035 1 . GLN 85 85 28035 1 . SER 86 86 28035 1 . SER 87 87 28035 1 . ALA 88 88 28035 1 . VAL 89 89 28035 1 . MET 90 90 28035 1 . ALA 91 91 28035 1 . LEU 92 92 28035 1 . GLN 93 93 28035 1 . GLU 94 94 28035 1 . ALA 95 95 28035 1 . CYS 96 96 28035 1 . GLU 97 97 28035 1 . ALA 98 98 28035 1 . TYR 99 99 28035 1 . LEU 100 100 28035 1 . VAL 101 101 28035 1 . GLY 102 102 28035 1 . LEU 103 103 28035 1 . PHE 104 104 28035 1 . GLU 105 105 28035 1 . ASP 106 106 28035 1 . THR 107 107 28035 1 . ASN 108 108 28035 1 . LEU 109 109 28035 1 . CYS 110 110 28035 1 . ALA 111 111 28035 1 . ILE 112 112 28035 1 . HIS 113 113 28035 1 . ALA 114 114 28035 1 . LYS 115 115 28035 1 . ARG 116 116 28035 1 . VAL 117 117 28035 1 . THR 118 118 28035 1 . ILE 119 119 28035 1 . MET 120 120 28035 1 . PRO 121 121 28035 1 . LYS 122 122 28035 1 . ASP 123 123 28035 1 . ILE 124 124 28035 1 . GLN 125 125 28035 1 . LEU 126 126 28035 1 . ALA 127 127 28035 1 . ARG 128 128 28035 1 . ARG 129 129 28035 1 . ILE 130 130 28035 1 . ARG 131 131 28035 1 . GLY 132 132 28035 1 . GLU 133 133 28035 1 . ARG 134 134 28035 1 . ALA 135 135 28035 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 28035 _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 $human_histone_H3 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 28035 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 28035 _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 $human_histone_H3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL 21 (DE3)' 'pLys S' . . . . pET-3a . . . 28035 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 28035 _Sample.ID 1 _Sample.Name . _Sample.Type 'gel solid' _Sample.Sub_type . _Sample.Details 'hydrated nucleosome core particle pellet' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% H2O' _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 histone H3' '[U-100% 13C; U-100% 15N]' . . 1 $human_histone_H3 . . 3.1 . . mg . . . . 28035 1 2 'histone H4' 'natural abundance' . . . . . . 2.2 . . mg . . . . 28035 1 3 'human histone H2A' 'natural abundance' . . . . . . 2.7 . . mg . . . . 28035 1 4 'human histone H2B' 'natural abundance' . . . . . . 2.7 . . mg . . . . 28035 1 5 'Widom 601 DNA' 'natural abundance' . . . . . . 8.6 . . mg . . . . 28035 1 6 H2O 'natural abundance' . . . . . . 35.9 . . mg . . . . 28035 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 28035 _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' 20 . mM 28035 1 pH 7.5 . pH 28035 1 pressure 1 . atm 28035 1 temperature 285 . K 28035 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 28035 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version 3.116 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 28035 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 28035 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 28035 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5pl6 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 28035 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 28035 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 28035 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version 3 _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' . . 28035 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 28035 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 28035 _Software.ID 4 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 28035 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 28035 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 28035 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 28035 _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 spectrometer_1 Bruker Avance . 800 . . . 28035 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 28035 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D CC DARR with 20 ms mixing time' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28035 1 2 '2D CC DARR with 100 ms mixing time' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28035 1 3 '2D NCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28035 1 4 '2D NCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28035 1 5 '3D NCACX with 75 ms CC DARR' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28035 1 6 '3D NCOCX with 75 ms CC DARR' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28035 1 7 '3D CANCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28035 1 8 '2D CC DREAM' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28035 1 9 '2D NcaCX' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28035 1 10 '3D NCACX with 20 ms CC DARR' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28035 1 11 '3D NCOCX with 20 ms CC DARR' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28035 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 28035 _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 '13C downfield signal' . . . . ppm 40.48 external direct 1 . . . . . 28035 1 N 15 adamantane '13C downfield signal' . . . . ppm 40.48 external indirect 0.4029799459 . . . . . 28035 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 28035 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D CC DARR with 20 ms mixing time' . . . 28035 1 2 '2D CC DARR with 100 ms mixing time' . . . 28035 1 3 '2D NCA' . . . 28035 1 4 '2D NCO' . . . 28035 1 5 '3D NCACX with 75 ms CC DARR' . . . 28035 1 6 '3D NCOCX with 75 ms CC DARR' . . . 28035 1 7 '3D CANCO' . . . 28035 1 8 '2D CC DREAM' . . . 28035 1 9 '2D NcaCX' . . . 28035 1 10 '3D NCACX with 20 ms CC DARR' . . . 28035 1 11 '3D NCOCX with 20 ms CC DARR' . . . 28035 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 42 42 ARG C C 13 174.565 0.004 . 1 . . . . . 42 R C . 28035 1 2 . 1 . 1 43 43 PRO C C 13 177.678 0.046 . 1 . . . . . 43 P C . 28035 1 3 . 1 . 1 43 43 PRO CA C 13 64.100 0.089 . 1 . . . . . 43 P CA . 28035 1 4 . 1 . 1 43 43 PRO CB C 13 31.650 0.047 . 1 . . . . . 43 P CB . 28035 1 5 . 1 . 1 43 43 PRO CG C 13 28.342 0.068 . 1 . . . . . 43 P CG . 28035 1 6 . 1 . 1 43 43 PRO CD C 13 50.149 0.050 . 1 . . . . . 43 P CD . 28035 1 7 . 1 . 1 43 43 PRO N N 15 132.797 0.101 . 1 . . . . . 43 P N . 28035 1 8 . 1 . 1 44 44 GLY C C 13 174.702 0.070 . 1 . . . . . 44 G C . 28035 1 9 . 1 . 1 44 44 GLY CA C 13 45.800 0.154 . 1 . . . . . 44 G CA . 28035 1 10 . 1 . 1 44 44 GLY N N 15 119.628 0.141 . 1 . . . . . 44 G N . 28035 1 11 . 1 . 1 45 45 THR C C 13 177.574 0.074 . 1 . . . . . 45 T C . 28035 1 12 . 1 . 1 45 45 THR CA C 13 66.309 0.072 . 1 . . . . . 45 T CA . 28035 1 13 . 1 . 1 45 45 THR CB C 13 69.110 0.061 . 1 . . . . . 45 T CB . 28035 1 14 . 1 . 1 45 45 THR CG2 C 13 22.769 0.089 . 1 . . . . . 45 T CG2 . 28035 1 15 . 1 . 1 45 45 THR N N 15 119.826 0.111 . 1 . . . . . 45 T N . 28035 1 16 . 1 . 1 46 46 VAL C C 13 178.123 0.170 . 1 . . . . . 46 V C . 28035 1 17 . 1 . 1 46 46 VAL CA C 13 66.206 0.087 . 1 . . . . . 46 V CA . 28035 1 18 . 1 . 1 46 46 VAL CB C 13 30.246 0.062 . 1 . . . . . 46 V CB . 28035 1 19 . 1 . 1 46 46 VAL CG1 C 13 23.221 0.080 . 2 . . . . . 46 V CG1 . 28035 1 20 . 1 . 1 46 46 VAL CG2 C 13 21.787 0.029 . 2 . . . . . 46 V CG2 . 28035 1 21 . 1 . 1 46 46 VAL N N 15 124.550 0.110 . 1 . . . . . 46 V N . 28035 1 22 . 1 . 1 47 47 ALA C C 13 179.904 0.011 . 1 . . . . . 47 A C . 28035 1 23 . 1 . 1 47 47 ALA CA C 13 56.228 0.046 . 1 . . . . . 47 A CA . 28035 1 24 . 1 . 1 47 47 ALA CB C 13 18.676 0.055 . 1 . . . . . 47 A CB . 28035 1 25 . 1 . 1 47 47 ALA N N 15 125.370 0.137 . 1 . . . . . 47 A N . 28035 1 26 . 1 . 1 48 48 LEU C C 13 178.773 0.063 . 1 . . . . . 48 L C . 28035 1 27 . 1 . 1 48 48 LEU CA C 13 58.234 0.052 . 1 . . . . . 48 L CA . 28035 1 28 . 1 . 1 48 48 LEU CB C 13 42.337 0.129 . 1 . . . . . 48 L CB . 28035 1 29 . 1 . 1 48 48 LEU CG C 13 28.197 0.026 . 1 . . . . . 48 L CG . 28035 1 30 . 1 . 1 48 48 LEU CD1 C 13 23.612 0.015 . 2 . . . . . 48 L CD1 . 28035 1 31 . 1 . 1 48 48 LEU N N 15 115.399 0.166 . 1 . . . . . 48 L N . 28035 1 32 . 1 . 1 49 49 ARG C C 13 180.152 0.070 . 1 . . . . . 49 R C . 28035 1 33 . 1 . 1 49 49 ARG CA C 13 59.852 0.090 . 1 . . . . . 49 R CA . 28035 1 34 . 1 . 1 49 49 ARG CB C 13 30.220 0.133 . 1 . . . . . 49 R CB . 28035 1 35 . 1 . 1 49 49 ARG N N 15 120.003 0.202 . 1 . . . . . 49 R N . 28035 1 36 . 1 . 1 50 50 GLU C C 13 178.737 0.083 . 1 . . . . . 50 E C . 28035 1 37 . 1 . 1 50 50 GLU CA C 13 59.653 0.101 . 1 . . . . . 50 E CA . 28035 1 38 . 1 . 1 50 50 GLU CB C 13 30.170 0.150 . 1 . . . . . 50 E CB . 28035 1 39 . 1 . 1 50 50 GLU CG C 13 37.238 0.104 . 1 . . . . . 50 E CG . 28035 1 40 . 1 . 1 50 50 GLU CD C 13 183.209 0.111 . 1 . . . . . 50 E CD . 28035 1 41 . 1 . 1 50 50 GLU N N 15 120.391 0.249 . 1 . . . . . 50 E N . 28035 1 42 . 1 . 1 51 51 ILE C C 13 177.650 0.103 . 1 . . . . . 51 I C . 28035 1 43 . 1 . 1 51 51 ILE CA C 13 66.476 0.053 . 1 . . . . . 51 I CA . 28035 1 44 . 1 . 1 51 51 ILE CB C 13 38.645 0.099 . 1 . . . . . 51 I CB . 28035 1 45 . 1 . 1 51 51 ILE CG1 C 13 28.342 0.074 . 1 . . . . . 51 I CG1 . 28035 1 46 . 1 . 1 51 51 ILE CG2 C 13 17.708 0.081 . 1 . . . . . 51 I CG2 . 28035 1 47 . 1 . 1 51 51 ILE CD1 C 13 13.426 0.067 . 1 . . . . . 51 I CD1 . 28035 1 48 . 1 . 1 51 51 ILE N N 15 121.479 0.185 . 1 . . . . . 51 I N . 28035 1 49 . 1 . 1 52 52 ARG C C 13 179.730 0.128 . 1 . . . . . 52 R C . 28035 1 50 . 1 . 1 52 52 ARG CA C 13 59.400 0.121 . 1 . . . . . 52 R CA . 28035 1 51 . 1 . 1 52 52 ARG CB C 13 36.845 0.000 . 1 . . . . . 52 R CB . 28035 1 52 . 1 . 1 52 52 ARG CG C 13 27.715 0.013 . 1 . . . . . 52 R CG . 28035 1 53 . 1 . 1 52 52 ARG CD C 13 43.734 0.103 . 1 . . . . . 52 R CD . 28035 1 54 . 1 . 1 52 52 ARG N N 15 116.021 0.190 . 1 . . . . . 52 R N . 28035 1 55 . 1 . 1 52 52 ARG NE N 15 85.329 0.027 . 1 . . . . . 52 R NE . 28035 1 56 . 1 . 1 53 53 ARG C C 13 179.826 0.078 . 1 . . . . . 53 R C . 28035 1 57 . 1 . 1 53 53 ARG CA C 13 59.249 0.097 . 1 . . . . . 53 R CA . 28035 1 58 . 1 . 1 53 53 ARG CB C 13 30.905 0.102 . 1 . . . . . 53 R CB . 28035 1 59 . 1 . 1 53 53 ARG CG C 13 26.251 0.052 . 1 . . . . . 53 R CG . 28035 1 60 . 1 . 1 53 53 ARG CD C 13 43.895 0.059 . 1 . . . . . 53 R CD . 28035 1 61 . 1 . 1 53 53 ARG N N 15 118.767 0.086 . 1 . . . . . 53 R N . 28035 1 62 . 1 . 1 54 54 TYR C C 13 178.829 0.086 . 1 . . . . . 54 Y C . 28035 1 63 . 1 . 1 54 54 TYR CA C 13 62.030 0.069 . 1 . . . . . 54 Y CA . 28035 1 64 . 1 . 1 54 54 TYR CB C 13 37.067 0.074 . 1 . . . . . 54 Y CB . 28035 1 65 . 1 . 1 54 54 TYR N N 15 116.133 0.156 . 1 . . . . . 54 Y N . 28035 1 66 . 1 . 1 55 55 GLN C C 13 177.838 0.111 . 1 . . . . . 55 Q C . 28035 1 67 . 1 . 1 55 55 GLN CA C 13 58.967 0.095 . 1 . . . . . 55 Q CA . 28035 1 68 . 1 . 1 55 55 GLN CB C 13 27.757 0.096 . 1 . . . . . 55 Q CB . 28035 1 69 . 1 . 1 55 55 GLN CG C 13 35.760 0.058 . 1 . . . . . 55 Q CG . 28035 1 70 . 1 . 1 55 55 GLN CD C 13 180.801 0.067 . 1 . . . . . 55 Q CD . 28035 1 71 . 1 . 1 55 55 GLN N N 15 117.679 0.099 . 1 . . . . . 55 Q N . 28035 1 72 . 1 . 1 55 55 GLN NE2 N 15 106.029 0.094 . 1 . . . . . 55 Q NE2 . 28035 1 73 . 1 . 1 56 56 LYS C C 13 175.895 0.086 . 1 . . . . . 56 K C . 28035 1 74 . 1 . 1 56 56 LYS CA C 13 57.277 0.118 . 1 . . . . . 56 K CA . 28035 1 75 . 1 . 1 56 56 LYS CB C 13 33.638 0.057 . 1 . . . . . 56 K CB . 28035 1 76 . 1 . 1 56 56 LYS CG C 13 25.157 0.091 . 1 . . . . . 56 K CG . 28035 1 77 . 1 . 1 56 56 LYS CD C 13 28.914 0.000 . 1 . . . . . 56 K CD . 28035 1 78 . 1 . 1 56 56 LYS N N 15 118.779 0.145 . 1 . . . . . 56 K N . 28035 1 79 . 1 . 1 57 57 SER C C 13 174.567 0.074 . 1 . . . . . 57 S C . 28035 1 80 . 1 . 1 57 57 SER CA C 13 56.762 0.051 . 1 . . . . . 57 S CA . 28035 1 81 . 1 . 1 57 57 SER CB C 13 65.706 0.030 . 1 . . . . . 57 S CB . 28035 1 82 . 1 . 1 57 57 SER N N 15 113.329 0.076 . 1 . . . . . 57 S N . 28035 1 83 . 1 . 1 58 58 THR C C 13 174.526 0.071 . 1 . . . . . 58 T C . 28035 1 84 . 1 . 1 58 58 THR CA C 13 61.036 0.090 . 1 . . . . . 58 T CA . 28035 1 85 . 1 . 1 58 58 THR CB C 13 69.769 0.074 . 1 . . . . . 58 T CB . 28035 1 86 . 1 . 1 58 58 THR CG2 C 13 21.783 0.034 . 1 . . . . . 58 T CG2 . 28035 1 87 . 1 . 1 58 58 THR N N 15 108.351 0.121 . 1 . . . . . 58 T N . 28035 1 88 . 1 . 1 59 59 GLU C C 13 176.170 0.092 . 1 . . . . . 59 E C . 28035 1 89 . 1 . 1 59 59 GLU CA C 13 56.380 0.062 . 1 . . . . . 59 E CA . 28035 1 90 . 1 . 1 59 59 GLU CB C 13 29.928 0.061 . 1 . . . . . 59 E CB . 28035 1 91 . 1 . 1 59 59 GLU CG C 13 35.969 0.050 . 1 . . . . . 59 E CG . 28035 1 92 . 1 . 1 59 59 GLU CD C 13 184.488 0.007 . 1 . . . . . 59 E CD . 28035 1 93 . 1 . 1 59 59 GLU N N 15 124.682 0.121 . 1 . . . . . 59 E N . 28035 1 94 . 1 . 1 60 60 LEU C C 13 178.583 0.055 . 1 . . . . . 60 L C . 28035 1 95 . 1 . 1 60 60 LEU CA C 13 55.372 0.074 . 1 . . . . . 60 L CA . 28035 1 96 . 1 . 1 60 60 LEU CB C 13 40.462 0.049 . 1 . . . . . 60 L CB . 28035 1 97 . 1 . 1 60 60 LEU CG C 13 26.964 0.045 . 1 . . . . . 60 L CG . 28035 1 98 . 1 . 1 60 60 LEU CD1 C 13 21.589 0.091 . 2 . . . . . 60 L CD1 . 28035 1 99 . 1 . 1 60 60 LEU CD2 C 13 26.185 0.010 . 2 . . . . . 60 L CD2 . 28035 1 100 . 1 . 1 60 60 LEU N N 15 121.914 0.107 . 1 . . . . . 60 L N . 28035 1 101 . 1 . 1 61 61 LEU C C 13 178.471 0.103 . 1 . . . . . 61 L C . 28035 1 102 . 1 . 1 61 61 LEU CA C 13 56.021 0.071 . 1 . . . . . 61 L CA . 28035 1 103 . 1 . 1 61 61 LEU CB C 13 42.823 0.072 . 1 . . . . . 61 L CB . 28035 1 104 . 1 . 1 61 61 LEU CG C 13 26.512 0.099 . 1 . . . . . 61 L CG . 28035 1 105 . 1 . 1 61 61 LEU CD2 C 13 24.086 0.205 . 2 . . . . . 61 L CD2 . 28035 1 106 . 1 . 1 61 61 LEU N N 15 129.470 0.101 . 1 . . . . . 61 L N . 28035 1 107 . 1 . 1 62 62 ILE C C 13 177.566 0.085 . 1 . . . . . 62 I C . 28035 1 108 . 1 . 1 62 62 ILE CA C 13 61.211 0.054 . 1 . . . . . 62 I CA . 28035 1 109 . 1 . 1 62 62 ILE CB C 13 37.765 0.074 . 1 . . . . . 62 I CB . 28035 1 110 . 1 . 1 62 62 ILE CG1 C 13 28.970 0.049 . 1 . . . . . 62 I CG1 . 28035 1 111 . 1 . 1 62 62 ILE CG2 C 13 18.129 0.041 . 1 . . . . . 62 I CG2 . 28035 1 112 . 1 . 1 62 62 ILE CD1 C 13 13.636 0.034 . 1 . . . . . 62 I CD1 . 28035 1 113 . 1 . 1 62 62 ILE N N 15 124.331 0.122 . 1 . . . . . 62 I N . 28035 1 114 . 1 . 1 63 63 ARG C C 13 176.812 0.078 . 1 . . . . . 63 R C . 28035 1 115 . 1 . 1 63 63 ARG CA C 13 57.869 0.124 . 1 . . . . . 63 R CA . 28035 1 116 . 1 . 1 63 63 ARG CB C 13 29.141 0.045 . 1 . . . . . 63 R CB . 28035 1 117 . 1 . 1 63 63 ARG CG C 13 27.083 0.203 . 1 . . . . . 63 R CG . 28035 1 118 . 1 . 1 63 63 ARG CD C 13 43.455 0.000 . 1 . . . . . 63 R CD . 28035 1 119 . 1 . 1 63 63 ARG N N 15 126.793 0.151 . 1 . . . . . 63 R N . 28035 1 120 . 1 . 1 64 64 LYS C C 13 180.669 0.045 . 1 . . . . . 64 K C . 28035 1 121 . 1 . 1 64 64 LYS CA C 13 61.486 0.072 . 1 . . . . . 64 K CA . 28035 1 122 . 1 . 1 64 64 LYS CB C 13 32.257 0.082 . 1 . . . . . 64 K CB . 28035 1 123 . 1 . 1 64 64 LYS CG C 13 25.858 0.086 . 1 . . . . . 64 K CG . 28035 1 124 . 1 . 1 64 64 LYS CD C 13 29.624 0.066 . 1 . . . . . 64 K CD . 28035 1 125 . 1 . 1 64 64 LYS N N 15 124.470 0.124 . 1 . . . . . 64 K N . 28035 1 126 . 1 . 1 65 65 LEU C C 13 176.635 0.063 . 1 . . . . . 65 L C . 28035 1 127 . 1 . 1 65 65 LEU CA C 13 59.782 0.046 . 1 . . . . . 65 L CA . 28035 1 128 . 1 . 1 65 65 LEU CB C 13 39.529 0.029 . 1 . . . . . 65 L CB . 28035 1 129 . 1 . 1 65 65 LEU CG C 13 27.503 0.030 . 1 . . . . . 65 L CG . 28035 1 130 . 1 . 1 65 65 LEU CD2 C 13 24.313 0.000 . 2 . . . . . 65 L CD2 . 28035 1 131 . 1 . 1 65 65 LEU N N 15 122.612 0.084 . 1 . . . . . 65 L N . 28035 1 132 . 1 . 1 66 66 PRO C C 13 179.329 0.137 . 1 . . . . . 66 P C . 28035 1 133 . 1 . 1 66 66 PRO CA C 13 65.877 0.064 . 1 . . . . . 66 P CA . 28035 1 134 . 1 . 1 66 66 PRO CB C 13 31.368 0.080 . 1 . . . . . 66 P CB . 28035 1 135 . 1 . 1 66 66 PRO CG C 13 28.493 0.066 . 1 . . . . . 66 P CG . 28035 1 136 . 1 . 1 66 66 PRO CD C 13 48.893 0.059 . 1 . . . . . 66 P CD . 28035 1 137 . 1 . 1 66 66 PRO N N 15 132.709 0.126 . 1 . . . . . 66 P N . 28035 1 138 . 1 . 1 67 67 PHE C C 13 176.104 0.093 . 1 . . . . . 67 F C . 28035 1 139 . 1 . 1 67 67 PHE CA C 13 63.074 0.091 . 1 . . . . . 67 F CA . 28035 1 140 . 1 . 1 67 67 PHE CB C 13 38.780 0.126 . 1 . . . . . 67 F CB . 28035 1 141 . 1 . 1 67 67 PHE CD1 C 13 131.556 0.000 . 3 . . . . . 67 F CD1 . 28035 1 142 . 1 . 1 67 67 PHE CE1 C 13 131.043 0.000 . 3 . . . . . 67 F CE1 . 28035 1 143 . 1 . 1 67 67 PHE N N 15 118.002 0.132 . 1 . . . . . 67 F N . 28035 1 144 . 1 . 1 68 68 GLN C C 13 178.184 0.047 . 1 . . . . . 68 Q C . 28035 1 145 . 1 . 1 68 68 GLN CA C 13 59.780 0.050 . 1 . . . . . 68 Q CA . 28035 1 146 . 1 . 1 68 68 GLN CB C 13 28.155 0.052 . 1 . . . . . 68 Q CB . 28035 1 147 . 1 . 1 68 68 GLN CG C 13 31.129 0.000 . 1 . . . . . 68 Q CG . 28035 1 148 . 1 . 1 68 68 GLN CD C 13 179.821 0.000 . 1 . . . . . 68 Q CD . 28035 1 149 . 1 . 1 68 68 GLN N N 15 119.407 0.098 . 1 . . . . . 68 Q N . 28035 1 150 . 1 . 1 69 69 ARG C C 13 178.551 0.260 . 1 . . . . . 69 R C . 28035 1 151 . 1 . 1 69 69 ARG CA C 13 60.448 0.075 . 1 . . . . . 69 R CA . 28035 1 152 . 1 . 1 69 69 ARG CB C 13 31.019 0.068 . 1 . . . . . 69 R CB . 28035 1 153 . 1 . 1 69 69 ARG CG C 13 27.253 0.000 . 1 . . . . . 69 R CG . 28035 1 154 . 1 . 1 69 69 ARG CD C 13 43.367 0.000 . 1 . . . . . 69 R CD . 28035 1 155 . 1 . 1 69 69 ARG N N 15 116.934 0.131 . 1 . . . . . 69 R N . 28035 1 156 . 1 . 1 70 70 LEU C C 13 177.374 0.091 . 1 . . . . . 70 L C . 28035 1 157 . 1 . 1 70 70 LEU CA C 13 57.717 0.088 . 1 . . . . . 70 L CA . 28035 1 158 . 1 . 1 70 70 LEU CB C 13 41.318 0.104 . 1 . . . . . 70 L CB . 28035 1 159 . 1 . 1 70 70 LEU CG C 13 27.073 0.201 . 1 . . . . . 70 L CG . 28035 1 160 . 1 . 1 70 70 LEU CD1 C 13 22.825 0.056 . 2 . . . . . 70 L CD1 . 28035 1 161 . 1 . 1 70 70 LEU N N 15 119.827 0.110 . 1 . . . . . 70 L N . 28035 1 162 . 1 . 1 71 71 VAL C C 13 177.181 0.079 . 1 . . . . . 71 V C . 28035 1 163 . 1 . 1 71 71 VAL CA C 13 66.621 0.066 . 1 . . . . . 71 V CA . 28035 1 164 . 1 . 1 71 71 VAL CB C 13 31.485 0.087 . 1 . . . . . 71 V CB . 28035 1 165 . 1 . 1 71 71 VAL CG1 C 13 21.523 0.061 . 2 . . . . . 71 V CG1 . 28035 1 166 . 1 . 1 71 71 VAL CG2 C 13 24.761 0.037 . 2 . . . . . 71 V CG2 . 28035 1 167 . 1 . 1 71 71 VAL N N 15 118.065 0.132 . 1 . . . . . 71 V N . 28035 1 168 . 1 . 1 72 72 ARG C C 13 178.899 0.137 . 1 . . . . . 72 R C . 28035 1 169 . 1 . 1 72 72 ARG CA C 13 59.464 0.111 . 1 . . . . . 72 R CA . 28035 1 170 . 1 . 1 72 72 ARG CB C 13 30.078 0.041 . 1 . . . . . 72 R CB . 28035 1 171 . 1 . 1 72 72 ARG CG C 13 28.867 0.086 . 1 . . . . . 72 R CG . 28035 1 172 . 1 . 1 72 72 ARG CD C 13 43.743 0.039 . 1 . . . . . 72 R CD . 28035 1 173 . 1 . 1 72 72 ARG N N 15 116.348 0.115 . 1 . . . . . 72 R N . 28035 1 174 . 1 . 1 73 73 GLU C C 13 178.936 0.066 . 1 . . . . . 73 E C . 28035 1 175 . 1 . 1 73 73 GLU CA C 13 59.267 0.083 . 1 . . . . . 73 E CA . 28035 1 176 . 1 . 1 73 73 GLU CB C 13 30.227 0.104 . 1 . . . . . 73 E CB . 28035 1 177 . 1 . 1 73 73 GLU N N 15 121.689 0.125 . 1 . . . . . 73 E N . 28035 1 178 . 1 . 1 74 74 ILE C C 13 178.515 0.085 . 1 . . . . . 74 I C . 28035 1 179 . 1 . 1 74 74 ILE CA C 13 64.521 0.056 . 1 . . . . . 74 I CA . 28035 1 180 . 1 . 1 74 74 ILE CB C 13 38.099 0.065 . 1 . . . . . 74 I CB . 28035 1 181 . 1 . 1 74 74 ILE CG1 C 13 29.086 0.012 . 1 . . . . . 74 I CG1 . 28035 1 182 . 1 . 1 74 74 ILE CG2 C 13 18.263 0.053 . 1 . . . . . 74 I CG2 . 28035 1 183 . 1 . 1 74 74 ILE CD1 C 13 15.102 0.014 . 1 . . . . . 74 I CD1 . 28035 1 184 . 1 . 1 74 74 ILE N N 15 120.691 0.107 . 1 . . . . . 74 I N . 28035 1 185 . 1 . 1 75 75 ALA C C 13 178.942 0.086 . 1 . . . . . 75 A C . 28035 1 186 . 1 . 1 75 75 ALA CA C 13 55.431 0.073 . 1 . . . . . 75 A CA . 28035 1 187 . 1 . 1 75 75 ALA CB C 13 18.989 0.029 . 1 . . . . . 75 A CB . 28035 1 188 . 1 . 1 75 75 ALA N N 15 119.174 0.139 . 1 . . . . . 75 A N . 28035 1 189 . 1 . 1 76 76 GLN C C 13 176.898 0.058 . 1 . . . . . 76 Q C . 28035 1 190 . 1 . 1 76 76 GLN CA C 13 57.685 0.090 . 1 . . . . . 76 Q CA . 28035 1 191 . 1 . 1 76 76 GLN CB C 13 28.252 0.065 . 1 . . . . . 76 Q CB . 28035 1 192 . 1 . 1 76 76 GLN CG C 13 34.222 0.037 . 1 . . . . . 76 Q CG . 28035 1 193 . 1 . 1 76 76 GLN N N 15 115.345 0.203 . 1 . . . . . 76 Q N . 28035 1 194 . 1 . 1 77 77 ASP C C 13 176.762 0.093 . 1 . . . . . 77 D C . 28035 1 195 . 1 . 1 77 77 ASP CA C 13 55.933 0.068 . 1 . . . . . 77 D CA . 28035 1 196 . 1 . 1 77 77 ASP CB C 13 40.195 0.067 . 1 . . . . . 77 D CB . 28035 1 197 . 1 . 1 77 77 ASP CG C 13 179.857 0.038 . 1 . . . . . 77 D CG . 28035 1 198 . 1 . 1 77 77 ASP N N 15 117.225 0.150 . 1 . . . . . 77 D N . 28035 1 199 . 1 . 1 78 78 PHE CA C 13 58.242 0.001 . 1 . . . . . 78 F CA . 28035 1 200 . 1 . 1 78 78 PHE CB C 13 40.031 0.013 . 1 . . . . . 78 F CB . 28035 1 201 . 1 . 1 78 78 PHE N N 15 118.021 0.131 . 1 . . . . . 78 F N . 28035 1 202 . 1 . 1 80 80 THR CA C 13 62.844 0.060 . 1 . . . . . 80 T CA . 28035 1 203 . 1 . 1 80 80 THR CB C 13 69.999 0.109 . 1 . . . . . 80 T CB . 28035 1 204 . 1 . 1 80 80 THR CG2 C 13 22.314 0.032 . 1 . . . . . 80 T CG2 . 28035 1 205 . 1 . 1 80 80 THR N N 15 117.614 0.000 . 1 . . . . . 80 T N . 28035 1 206 . 1 . 1 81 81 ASP C C 13 178.154 0.022 . 1 . . . . . 81 D C . 28035 1 207 . 1 . 1 81 81 ASP CA C 13 55.497 0.000 . 1 . . . . . 81 D CA . 28035 1 208 . 1 . 1 82 82 LEU C C 13 175.040 0.128 . 1 . . . . . 82 L C . 28035 1 209 . 1 . 1 82 82 LEU CA C 13 54.515 0.173 . 1 . . . . . 82 L CA . 28035 1 210 . 1 . 1 82 82 LEU CB C 13 43.264 0.000 . 1 . . . . . 82 L CB . 28035 1 211 . 1 . 1 82 82 LEU CG C 13 28.333 0.044 . 1 . . . . . 82 L CG . 28035 1 212 . 1 . 1 82 82 LEU CD1 C 13 27.867 0.122 . 2 . . . . . 82 L CD1 . 28035 1 213 . 1 . 1 82 82 LEU N N 15 121.232 0.085 . 1 . . . . . 82 L N . 28035 1 214 . 1 . 1 83 83 ARG C C 13 174.750 0.106 . 1 . . . . . 83 R C . 28035 1 215 . 1 . 1 83 83 ARG CA C 13 54.465 0.136 . 1 . . . . . 83 R CA . 28035 1 216 . 1 . 1 83 83 ARG CB C 13 33.090 0.136 . 1 . . . . . 83 R CB . 28035 1 217 . 1 . 1 83 83 ARG CG C 13 28.977 0.000 . 1 . . . . . 83 R CG . 28035 1 218 . 1 . 1 83 83 ARG N N 15 121.388 0.192 . 1 . . . . . 83 R N . 28035 1 219 . 1 . 1 84 84 PHE C C 13 176.276 0.076 . 1 . . . . . 84 F C . 28035 1 220 . 1 . 1 84 84 PHE CA C 13 57.070 0.039 . 1 . . . . . 84 F CA . 28035 1 221 . 1 . 1 84 84 PHE CB C 13 42.695 0.073 . 1 . . . . . 84 F CB . 28035 1 222 . 1 . 1 84 84 PHE CD1 C 13 132.007 0.000 . 3 . . . . . 84 F CD1 . 28035 1 223 . 1 . 1 84 84 PHE CD2 C 13 131.211 0.000 . 3 . . . . . 84 F CD2 . 28035 1 224 . 1 . 1 84 84 PHE CE1 C 13 130.464 0.000 . 3 . . . . . 84 F CE1 . 28035 1 225 . 1 . 1 84 84 PHE CE2 C 13 129.931 0.000 . 3 . . . . . 84 F CE2 . 28035 1 226 . 1 . 1 84 84 PHE N N 15 119.501 0.129 . 1 . . . . . 84 F N . 28035 1 227 . 1 . 1 85 85 GLN C C 13 179.273 0.081 . 1 . . . . . 85 Q C . 28035 1 228 . 1 . 1 85 85 GLN CA C 13 56.628 0.057 . 1 . . . . . 85 Q CA . 28035 1 229 . 1 . 1 85 85 GLN CB C 13 29.679 0.053 . 1 . . . . . 85 Q CB . 28035 1 230 . 1 . 1 85 85 GLN CG C 13 35.002 0.031 . 1 . . . . . 85 Q CG . 28035 1 231 . 1 . 1 85 85 GLN CD C 13 179.756 0.056 . 1 . . . . . 85 Q CD . 28035 1 232 . 1 . 1 85 85 GLN N N 15 120.064 0.143 . 1 . . . . . 85 Q N . 28035 1 233 . 1 . 1 85 85 GLN NE2 N 15 112.974 0.066 . 1 . . . . . 85 Q NE2 . 28035 1 234 . 1 . 1 86 86 SER C C 13 178.921 0.027 . 1 . . . . . 86 S C . 28035 1 235 . 1 . 1 86 86 SER CA C 13 62.279 0.084 . 1 . . . . . 86 S CA . 28035 1 236 . 1 . 1 86 86 SER CB C 13 62.715 0.000 . 1 . . . . . 86 S CB . 28035 1 237 . 1 . 1 86 86 SER N N 15 124.039 0.099 . 1 . . . . . 86 S N . 28035 1 238 . 1 . 1 87 87 SER C C 13 176.249 0.073 . 1 . . . . . 87 S C . 28035 1 239 . 1 . 1 87 87 SER CA C 13 60.904 0.066 . 1 . . . . . 87 S CA . 28035 1 240 . 1 . 1 87 87 SER CB C 13 62.876 0.041 . 1 . . . . . 87 S CB . 28035 1 241 . 1 . 1 87 87 SER N N 15 115.264 0.153 . 1 . . . . . 87 S N . 28035 1 242 . 1 . 1 88 88 ALA C C 13 179.163 0.074 . 1 . . . . . 88 A C . 28035 1 243 . 1 . 1 88 88 ALA CA C 13 55.527 0.083 . 1 . . . . . 88 A CA . 28035 1 244 . 1 . 1 88 88 ALA CB C 13 18.948 0.054 . 1 . . . . . 88 A CB . 28035 1 245 . 1 . 1 88 88 ALA N N 15 123.375 0.167 . 1 . . . . . 88 A N . 28035 1 246 . 1 . 1 89 89 VAL C C 13 178.101 0.108 . 1 . . . . . 89 V C . 28035 1 247 . 1 . 1 89 89 VAL CA C 13 67.024 0.073 . 1 . . . . . 89 V CA . 28035 1 248 . 1 . 1 89 89 VAL CB C 13 31.550 0.065 . 1 . . . . . 89 V CB . 28035 1 249 . 1 . 1 89 89 VAL CG1 C 13 22.309 0.044 . 2 . . . . . 89 V CG1 . 28035 1 250 . 1 . 1 89 89 VAL CG2 C 13 22.962 0.040 . 2 . . . . . 89 V CG2 . 28035 1 251 . 1 . 1 89 89 VAL N N 15 116.317 0.069 . 1 . . . . . 89 V N . 28035 1 252 . 1 . 1 90 90 MET C C 13 177.908 0.039 . 1 . . . . . 90 M C . 28035 1 253 . 1 . 1 90 90 MET CA C 13 57.664 0.057 . 1 . . . . . 90 M CA . 28035 1 254 . 1 . 1 90 90 MET CB C 13 31.920 0.058 . 1 . . . . . 90 M CB . 28035 1 255 . 1 . 1 90 90 MET N N 15 117.851 0.083 . 1 . . . . . 90 M N . 28035 1 256 . 1 . 1 91 91 ALA C C 13 179.304 0.095 . 1 . . . . . 91 A C . 28035 1 257 . 1 . 1 91 91 ALA CA C 13 55.248 0.064 . 1 . . . . . 91 A CA . 28035 1 258 . 1 . 1 91 91 ALA CB C 13 17.118 0.031 . 1 . . . . . 91 A CB . 28035 1 259 . 1 . 1 91 91 ALA N N 15 122.758 0.104 . 1 . . . . . 91 A N . 28035 1 260 . 1 . 1 92 92 LEU C C 13 178.617 0.069 . 1 . . . . . 92 L C . 28035 1 261 . 1 . 1 92 92 LEU CA C 13 58.042 0.094 . 1 . . . . . 92 L CA . 28035 1 262 . 1 . 1 92 92 LEU CB C 13 42.222 0.110 . 1 . . . . . 92 L CB . 28035 1 263 . 1 . 1 92 92 LEU CG C 13 27.031 0.000 . 1 . . . . . 92 L CG . 28035 1 264 . 1 . 1 92 92 LEU CD1 C 13 26.611 0.082 . 2 . . . . . 92 L CD1 . 28035 1 265 . 1 . 1 92 92 LEU CD2 C 13 25.517 0.102 . 2 . . . . . 92 L CD2 . 28035 1 266 . 1 . 1 92 92 LEU N N 15 115.980 0.168 . 1 . . . . . 92 L N . 28035 1 267 . 1 . 1 93 93 GLN C C 13 178.951 0.101 . 1 . . . . . 93 Q C . 28035 1 268 . 1 . 1 93 93 GLN CA C 13 61.108 0.082 . 1 . . . . . 93 Q CA . 28035 1 269 . 1 . 1 93 93 GLN CB C 13 26.805 0.050 . 1 . . . . . 93 Q CB . 28035 1 270 . 1 . 1 93 93 GLN CG C 13 34.112 0.113 . 1 . . . . . 93 Q CG . 28035 1 271 . 1 . 1 93 93 GLN CD C 13 175.205 0.105 . 1 . . . . . 93 Q CD . 28035 1 272 . 1 . 1 93 93 GLN N N 15 122.924 0.093 . 1 . . . . . 93 Q N . 28035 1 273 . 1 . 1 93 93 GLN NE2 N 15 110.792 0.135 . 1 . . . . . 93 Q NE2 . 28035 1 274 . 1 . 1 94 94 GLU C C 13 180.855 0.116 . 1 . . . . . 94 E C . 28035 1 275 . 1 . 1 94 94 GLU CA C 13 59.772 0.039 . 1 . . . . . 94 E CA . 28035 1 276 . 1 . 1 94 94 GLU CB C 13 29.113 0.053 . 1 . . . . . 94 E CB . 28035 1 277 . 1 . 1 94 94 GLU CG C 13 36.200 0.102 . 1 . . . . . 94 E CG . 28035 1 278 . 1 . 1 94 94 GLU N N 15 118.662 0.121 . 1 . . . . . 94 E N . 28035 1 279 . 1 . 1 95 95 ALA C C 13 180.775 0.074 . 1 . . . . . 95 A C . 28035 1 280 . 1 . 1 95 95 ALA CA C 13 55.527 0.100 . 1 . . . . . 95 A CA . 28035 1 281 . 1 . 1 95 95 ALA CB C 13 20.574 0.043 . 1 . . . . . 95 A CB . 28035 1 282 . 1 . 1 95 95 ALA N N 15 120.190 0.093 . 1 . . . . . 95 A N . 28035 1 283 . 1 . 1 96 96 CYS C C 13 176.654 0.107 . 1 . . . . . 96 C C . 28035 1 284 . 1 . 1 96 96 CYS CA C 13 63.222 0.052 . 1 . . . . . 96 C CA . 28035 1 285 . 1 . 1 96 96 CYS CB C 13 27.865 0.051 . 1 . . . . . 96 C CB . 28035 1 286 . 1 . 1 96 96 CYS N N 15 118.273 0.083 . 1 . . . . . 96 C N . 28035 1 287 . 1 . 1 97 97 GLU C C 13 177.984 0.065 . 1 . . . . . 97 E C . 28035 1 288 . 1 . 1 97 97 GLU CA C 13 62.708 0.138 . 1 . . . . . 97 E CA . 28035 1 289 . 1 . 1 97 97 GLU CB C 13 28.135 0.078 . 1 . . . . . 97 E CB . 28035 1 290 . 1 . 1 97 97 GLU CD C 13 180.712 0.049 . 1 . . . . . 97 E CD . 28035 1 291 . 1 . 1 97 97 GLU N N 15 119.610 0.156 . 1 . . . . . 97 E N . 28035 1 292 . 1 . 1 98 98 ALA C C 13 181.783 0.067 . 1 . . . . . 98 A C . 28035 1 293 . 1 . 1 98 98 ALA CA C 13 55.349 0.058 . 1 . . . . . 98 A CA . 28035 1 294 . 1 . 1 98 98 ALA CB C 13 19.056 0.041 . 1 . . . . . 98 A CB . 28035 1 295 . 1 . 1 98 98 ALA N N 15 119.399 0.147 . 1 . . . . . 98 A N . 28035 1 296 . 1 . 1 99 99 TYR C C 13 178.350 0.107 . 1 . . . . . 99 Y C . 28035 1 297 . 1 . 1 99 99 TYR CA C 13 60.105 0.081 . 1 . . . . . 99 Y CA . 28035 1 298 . 1 . 1 99 99 TYR CB C 13 37.707 0.091 . 1 . . . . . 99 Y CB . 28035 1 299 . 1 . 1 99 99 TYR N N 15 119.784 0.199 . 1 . . . . . 99 Y N . 28035 1 300 . 1 . 1 100 100 LEU C C 13 178.054 0.133 . 1 . . . . . 100 L C . 28035 1 301 . 1 . 1 100 100 LEU CA C 13 57.494 0.090 . 1 . . . . . 100 L CA . 28035 1 302 . 1 . 1 100 100 LEU CB C 13 42.008 0.086 . 1 . . . . . 100 L CB . 28035 1 303 . 1 . 1 100 100 LEU CG C 13 27.023 0.056 . 1 . . . . . 100 L CG . 28035 1 304 . 1 . 1 100 100 LEU CD1 C 13 23.613 0.000 . 2 . . . . . 100 L CD1 . 28035 1 305 . 1 . 1 100 100 LEU CD2 C 13 24.914 0.000 . 2 . . . . . 100 L CD2 . 28035 1 306 . 1 . 1 100 100 LEU N N 15 120.208 0.108 . 1 . . . . . 100 L N . 28035 1 307 . 1 . 1 101 101 VAL C C 13 178.564 0.067 . 1 . . . . . 101 V C . 28035 1 308 . 1 . 1 101 101 VAL CA C 13 68.149 0.046 . 1 . . . . . 101 V CA . 28035 1 309 . 1 . 1 101 101 VAL CB C 13 31.913 0.062 . 1 . . . . . 101 V CB . 28035 1 310 . 1 . 1 101 101 VAL CG1 C 13 24.152 0.079 . 2 . . . . . 101 V CG1 . 28035 1 311 . 1 . 1 101 101 VAL CG2 C 13 21.863 0.054 . 2 . . . . . 101 V CG2 . 28035 1 312 . 1 . 1 101 101 VAL N N 15 120.230 0.093 . 1 . . . . . 101 V N . 28035 1 313 . 1 . 1 102 102 GLY C C 13 176.260 0.048 . 1 . . . . . 102 G C . 28035 1 314 . 1 . 1 102 102 GLY CA C 13 47.124 0.038 . 1 . . . . . 102 G CA . 28035 1 315 . 1 . 1 102 102 GLY N N 15 104.763 0.082 . 1 . . . . . 102 G N . 28035 1 316 . 1 . 1 103 103 LEU C C 13 181.253 0.049 . 1 . . . . . 103 L C . 28035 1 317 . 1 . 1 103 103 LEU CA C 13 57.378 0.058 . 1 . . . . . 103 L CA . 28035 1 318 . 1 . 1 103 103 LEU CB C 13 40.987 0.120 . 1 . . . . . 103 L CB . 28035 1 319 . 1 . 1 103 103 LEU CG C 13 26.905 0.114 . 1 . . . . . 103 L CG . 28035 1 320 . 1 . 1 103 103 LEU CD1 C 13 22.439 0.091 . 2 . . . . . 103 L CD1 . 28035 1 321 . 1 . 1 103 103 LEU N N 15 123.120 0.080 . 1 . . . . . 103 L N . 28035 1 322 . 1 . 1 104 104 PHE C C 13 177.768 0.078 . 1 . . . . . 104 F C . 28035 1 323 . 1 . 1 104 104 PHE CA C 13 62.524 0.075 . 1 . . . . . 104 F CA . 28035 1 324 . 1 . 1 104 104 PHE CB C 13 37.566 0.101 . 1 . . . . . 104 F CB . 28035 1 325 . 1 . 1 104 104 PHE CG C 13 138.402 0.000 . 1 . . . . . 104 F CG . 28035 1 326 . 1 . 1 104 104 PHE N N 15 124.012 0.149 . 1 . . . . . 104 F N . 28035 1 327 . 1 . 1 105 105 GLU C C 13 179.779 0.095 . 1 . . . . . 105 E C . 28035 1 328 . 1 . 1 105 105 GLU CA C 13 59.868 0.045 . 1 . . . . . 105 E CA . 28035 1 329 . 1 . 1 105 105 GLU CB C 13 29.635 0.143 . 1 . . . . . 105 E CB . 28035 1 330 . 1 . 1 105 105 GLU CG C 13 36.242 0.004 . 1 . . . . . 105 E CG . 28035 1 331 . 1 . 1 105 105 GLU CD C 13 183.577 0.077 . 1 . . . . . 105 E CD . 28035 1 332 . 1 . 1 105 105 GLU N N 15 122.212 0.117 . 1 . . . . . 105 E N . 28035 1 333 . 1 . 1 106 106 ASP C C 13 178.568 0.132 . 1 . . . . . 106 D C . 28035 1 334 . 1 . 1 106 106 ASP CA C 13 57.817 0.078 . 1 . . . . . 106 D CA . 28035 1 335 . 1 . 1 106 106 ASP CB C 13 41.337 0.081 . 1 . . . . . 106 D CB . 28035 1 336 . 1 . 1 106 106 ASP N N 15 120.885 0.162 . 1 . . . . . 106 D N . 28035 1 337 . 1 . 1 107 107 THR C C 13 176.628 0.073 . 1 . . . . . 107 T C . 28035 1 338 . 1 . 1 107 107 THR CA C 13 67.958 0.068 . 1 . . . . . 107 T CA . 28035 1 339 . 1 . 1 107 107 THR CB C 13 68.079 0.050 . 1 . . . . . 107 T CB . 28035 1 340 . 1 . 1 107 107 THR CG2 C 13 22.893 0.025 . 1 . . . . . 107 T CG2 . 28035 1 341 . 1 . 1 107 107 THR N N 15 119.539 0.127 . 1 . . . . . 107 T N . 28035 1 342 . 1 . 1 108 108 ASN C C 13 177.890 0.085 . 1 . . . . . 108 N C . 28035 1 343 . 1 . 1 108 108 ASN CA C 13 55.526 0.080 . 1 . . . . . 108 N CA . 28035 1 344 . 1 . 1 108 108 ASN CB C 13 39.172 0.039 . 1 . . . . . 108 N CB . 28035 1 345 . 1 . 1 108 108 ASN CG C 13 173.229 0.056 . 1 . . . . . 108 N CG . 28035 1 346 . 1 . 1 108 108 ASN N N 15 122.104 0.135 . 1 . . . . . 108 N N . 28035 1 347 . 1 . 1 108 108 ASN ND2 N 15 109.485 0.118 . 1 . . . . . 108 N ND2 . 28035 1 348 . 1 . 1 109 109 LEU C C 13 181.088 0.067 . 1 . . . . . 109 L C . 28035 1 349 . 1 . 1 109 109 LEU CA C 13 58.145 0.071 . 1 . . . . . 109 L CA . 28035 1 350 . 1 . 1 109 109 LEU CB C 13 41.445 0.061 . 1 . . . . . 109 L CB . 28035 1 351 . 1 . 1 109 109 LEU CG C 13 26.133 0.103 . 1 . . . . . 109 L CG . 28035 1 352 . 1 . 1 109 109 LEU CD1 C 13 21.730 0.022 . 2 . . . . . 109 L CD1 . 28035 1 353 . 1 . 1 109 109 LEU CD2 C 13 22.093 0.063 . 2 . . . . . 109 L CD2 . 28035 1 354 . 1 . 1 109 109 LEU N N 15 114.978 0.105 . 1 . . . . . 109 L N . 28035 1 355 . 1 . 1 110 110 CYS C C 13 176.246 0.099 . 1 . . . . . 110 C C . 28035 1 356 . 1 . 1 110 110 CYS CA C 13 64.648 0.075 . 1 . . . . . 110 C CA . 28035 1 357 . 1 . 1 110 110 CYS CB C 13 26.651 0.057 . 1 . . . . . 110 C CB . 28035 1 358 . 1 . 1 110 110 CYS N N 15 119.004 0.120 . 1 . . . . . 110 C N . 28035 1 359 . 1 . 1 111 111 ALA C C 13 180.091 0.071 . 1 . . . . . 111 A C . 28035 1 360 . 1 . 1 111 111 ALA CA C 13 56.195 0.049 . 1 . . . . . 111 A CA . 28035 1 361 . 1 . 1 111 111 ALA CB C 13 18.617 0.049 . 1 . . . . . 111 A CB . 28035 1 362 . 1 . 1 111 111 ALA N N 15 125.913 0.091 . 1 . . . . . 111 A N . 28035 1 363 . 1 . 1 112 112 ILE C C 13 181.769 0.061 . 1 . . . . . 112 I C . 28035 1 364 . 1 . 1 112 112 ILE CA C 13 64.469 0.058 . 1 . . . . . 112 I CA . 28035 1 365 . 1 . 1 112 112 ILE CB C 13 39.223 0.082 . 1 . . . . . 112 I CB . 28035 1 366 . 1 . 1 112 112 ILE CG1 C 13 28.190 0.000 . 1 . . . . . 112 I CG1 . 28035 1 367 . 1 . 1 112 112 ILE CG2 C 13 17.499 0.050 . 1 . . . . . 112 I CG2 . 28035 1 368 . 1 . 1 112 112 ILE CD1 C 13 14.529 0.030 . 1 . . . . . 112 I CD1 . 28035 1 369 . 1 . 1 112 112 ILE N N 15 119.272 0.120 . 1 . . . . . 112 I N . 28035 1 370 . 1 . 1 113 113 HIS C C 13 175.973 0.093 . 1 . . . . . 113 H C . 28035 1 371 . 1 . 1 113 113 HIS CA C 13 59.906 0.048 . 1 . . . . . 113 H CA . 28035 1 372 . 1 . 1 113 113 HIS CB C 13 32.836 0.050 . 1 . . . . . 113 H CB . 28035 1 373 . 1 . 1 113 113 HIS CG C 13 130.569 0.007 . 1 . . . . . 113 H CG . 28035 1 374 . 1 . 1 113 113 HIS CD2 C 13 117.152 0.000 . 1 . . . . . 113 H CD2 . 28035 1 375 . 1 . 1 113 113 HIS CE1 C 13 137.779 0.045 . 1 . . . . . 113 H CE1 . 28035 1 376 . 1 . 1 113 113 HIS N N 15 124.086 0.073 . 1 . . . . . 113 H N . 28035 1 377 . 1 . 1 114 114 ALA C C 13 175.315 0.048 . 1 . . . . . 114 A C . 28035 1 378 . 1 . 1 114 114 ALA CA C 13 51.117 0.040 . 1 . . . . . 114 A CA . 28035 1 379 . 1 . 1 114 114 ALA CB C 13 19.129 0.050 . 1 . . . . . 114 A CB . 28035 1 380 . 1 . 1 114 114 ALA N N 15 118.057 0.083 . 1 . . . . . 114 A N . 28035 1 381 . 1 . 1 115 115 LYS C C 13 175.442 0.099 . 1 . . . . . 115 K C . 28035 1 382 . 1 . 1 115 115 LYS CA C 13 57.380 0.049 . 1 . . . . . 115 K CA . 28035 1 383 . 1 . 1 115 115 LYS CB C 13 28.745 0.060 . 1 . . . . . 115 K CB . 28035 1 384 . 1 . 1 115 115 LYS CG C 13 25.600 0.076 . 1 . . . . . 115 K CG . 28035 1 385 . 1 . 1 115 115 LYS CD C 13 29.566 0.000 . 1 . . . . . 115 K CD . 28035 1 386 . 1 . 1 115 115 LYS N N 15 113.900 0.052 . 1 . . . . . 115 K N . 28035 1 387 . 1 . 1 116 116 ARG C C 13 175.590 0.066 . 1 . . . . . 116 R C . 28035 1 388 . 1 . 1 116 116 ARG CA C 13 55.210 0.088 . 1 . . . . . 116 R CA . 28035 1 389 . 1 . 1 116 116 ARG CB C 13 36.866 0.086 . 1 . . . . . 116 R CB . 28035 1 390 . 1 . 1 116 116 ARG CG C 13 32.430 0.095 . 1 . . . . . 116 R CG . 28035 1 391 . 1 . 1 116 116 ARG CD C 13 44.021 0.053 . 1 . . . . . 116 R CD . 28035 1 392 . 1 . 1 116 116 ARG N N 15 118.782 0.136 . 1 . . . . . 116 R N . 28035 1 393 . 1 . 1 117 117 VAL C C 13 174.101 0.075 . 1 . . . . . 117 V C . 28035 1 394 . 1 . 1 117 117 VAL CA C 13 60.766 0.068 . 1 . . . . . 117 V CA . 28035 1 395 . 1 . 1 117 117 VAL CB C 13 32.786 0.075 . 1 . . . . . 117 V CB . 28035 1 396 . 1 . 1 117 117 VAL CG1 C 13 18.728 0.042 . 2 . . . . . 117 V CG1 . 28035 1 397 . 1 . 1 117 117 VAL CG2 C 13 21.805 0.033 . 2 . . . . . 117 V CG2 . 28035 1 398 . 1 . 1 117 117 VAL N N 15 108.795 0.115 . 1 . . . . . 117 V N . 28035 1 399 . 1 . 1 118 118 THR C C 13 174.731 0.057 . 1 . . . . . 118 T C . 28035 1 400 . 1 . 1 118 118 THR CA C 13 61.092 0.050 . 1 . . . . . 118 T CA . 28035 1 401 . 1 . 1 118 118 THR CB C 13 69.854 0.064 . 1 . . . . . 118 T CB . 28035 1 402 . 1 . 1 118 118 THR CG2 C 13 20.180 0.046 . 1 . . . . . 118 T CG2 . 28035 1 403 . 1 . 1 118 118 THR N N 15 119.715 0.056 . 1 . . . . . 118 T N . 28035 1 404 . 1 . 1 119 119 ILE C C 13 175.564 0.073 . 1 . . . . . 119 I C . 28035 1 405 . 1 . 1 119 119 ILE CA C 13 60.994 0.056 . 1 . . . . . 119 I CA . 28035 1 406 . 1 . 1 119 119 ILE CB C 13 39.783 0.065 . 1 . . . . . 119 I CB . 28035 1 407 . 1 . 1 119 119 ILE CG1 C 13 24.643 0.101 . 1 . . . . . 119 I CG1 . 28035 1 408 . 1 . 1 119 119 ILE CG2 C 13 19.376 0.029 . 1 . . . . . 119 I CG2 . 28035 1 409 . 1 . 1 119 119 ILE CD1 C 13 16.472 0.052 . 1 . . . . . 119 I CD1 . 28035 1 410 . 1 . 1 119 119 ILE N N 15 117.785 0.088 . 1 . . . . . 119 I N . 28035 1 411 . 1 . 1 120 120 MET C C 13 175.942 0.082 . 1 . . . . . 120 M C . 28035 1 412 . 1 . 1 120 120 MET CA C 13 54.142 0.081 . 1 . . . . . 120 M CA . 28035 1 413 . 1 . 1 120 120 MET CB C 13 34.775 0.031 . 1 . . . . . 120 M CB . 28035 1 414 . 1 . 1 120 120 MET CG C 13 33.367 0.041 . 1 . . . . . 120 M CG . 28035 1 415 . 1 . 1 120 120 MET N N 15 122.832 0.124 . 1 . . . . . 120 M N . 28035 1 416 . 1 . 1 121 121 PRO C C 13 177.549 0.057 . 1 . . . . . 121 P C . 28035 1 417 . 1 . 1 121 121 PRO CA C 13 67.527 0.076 . 1 . . . . . 121 P CA . 28035 1 418 . 1 . 1 121 121 PRO CB C 13 31.273 0.066 . 1 . . . . . 121 P CB . 28035 1 419 . 1 . 1 121 121 PRO CG C 13 30.064 0.071 . 1 . . . . . 121 P CG . 28035 1 420 . 1 . 1 121 121 PRO CD C 13 49.999 0.064 . 1 . . . . . 121 P CD . 28035 1 421 . 1 . 1 121 121 PRO N N 15 136.695 0.055 . 1 . . . . . 121 P N . 28035 1 422 . 1 . 1 122 122 LYS C C 13 178.590 0.063 . 1 . . . . . 122 K C . 28035 1 423 . 1 . 1 122 122 LYS CA C 13 58.640 0.080 . 1 . . . . . 122 K CA . 28035 1 424 . 1 . 1 122 122 LYS CB C 13 31.244 0.044 . 1 . . . . . 122 K CB . 28035 1 425 . 1 . 1 122 122 LYS CG C 13 23.631 0.036 . 1 . . . . . 122 K CG . 28035 1 426 . 1 . 1 122 122 LYS CD C 13 29.561 0.025 . 1 . . . . . 122 K CD . 28035 1 427 . 1 . 1 122 122 LYS N N 15 112.446 0.061 . 1 . . . . . 122 K N . 28035 1 428 . 1 . 1 123 123 ASP C C 13 176.874 0.089 . 1 . . . . . 123 D C . 28035 1 429 . 1 . 1 123 123 ASP CA C 13 58.342 0.073 . 1 . . . . . 123 D CA . 28035 1 430 . 1 . 1 123 123 ASP CB C 13 43.175 0.083 . 1 . . . . . 123 D CB . 28035 1 431 . 1 . 1 123 123 ASP CG C 13 178.724 0.020 . 1 . . . . . 123 D CG . 28035 1 432 . 1 . 1 123 123 ASP N N 15 122.340 0.115 . 1 . . . . . 123 D N . 28035 1 433 . 1 . 1 124 124 ILE C C 13 178.305 0.093 . 1 . . . . . 124 I C . 28035 1 434 . 1 . 1 124 124 ILE CA C 13 64.418 0.043 . 1 . . . . . 124 I CA . 28035 1 435 . 1 . 1 124 124 ILE CB C 13 38.133 0.062 . 1 . . . . . 124 I CB . 28035 1 436 . 1 . 1 124 124 ILE CG1 C 13 28.991 0.039 . 1 . . . . . 124 I CG1 . 28035 1 437 . 1 . 1 124 124 ILE CG2 C 13 17.120 0.049 . 1 . . . . . 124 I CG2 . 28035 1 438 . 1 . 1 124 124 ILE CD1 C 13 13.835 0.056 . 1 . . . . . 124 I CD1 . 28035 1 439 . 1 . 1 124 124 ILE N N 15 119.493 0.161 . 1 . . . . . 124 I N . 28035 1 440 . 1 . 1 125 125 GLN C C 13 179.356 0.063 . 1 . . . . . 125 Q C . 28035 1 441 . 1 . 1 125 125 GLN CA C 13 58.373 0.049 . 1 . . . . . 125 Q CA . 28035 1 442 . 1 . 1 125 125 GLN CB C 13 27.370 0.082 . 1 . . . . . 125 Q CB . 28035 1 443 . 1 . 1 125 125 GLN CG C 13 33.206 0.063 . 1 . . . . . 125 Q CG . 28035 1 444 . 1 . 1 125 125 GLN CD C 13 179.944 0.056 . 1 . . . . . 125 Q CD . 28035 1 445 . 1 . 1 125 125 GLN N N 15 116.891 0.117 . 1 . . . . . 125 Q N . 28035 1 446 . 1 . 1 125 125 GLN NE2 N 15 111.321 0.064 . 1 . . . . . 125 Q NE2 . 28035 1 447 . 1 . 1 126 126 LEU C C 13 177.969 0.050 . 1 . . . . . 126 L C . 28035 1 448 . 1 . 1 126 126 LEU CA C 13 58.137 0.071 . 1 . . . . . 126 L CA . 28035 1 449 . 1 . 1 126 126 LEU CB C 13 40.510 0.098 . 1 . . . . . 126 L CB . 28035 1 450 . 1 . 1 126 126 LEU CG C 13 26.805 0.063 . 1 . . . . . 126 L CG . 28035 1 451 . 1 . 1 126 126 LEU CD1 C 13 23.632 0.015 . 2 . . . . . 126 L CD1 . 28035 1 452 . 1 . 1 126 126 LEU CD2 C 13 25.392 0.090 . 2 . . . . . 126 L CD2 . 28035 1 453 . 1 . 1 126 126 LEU N N 15 121.810 0.197 . 1 . . . . . 126 L N . 28035 1 454 . 1 . 1 127 127 ALA C C 13 180.104 0.050 . 1 . . . . . 127 A C . 28035 1 455 . 1 . 1 127 127 ALA CA C 13 55.908 0.066 . 1 . . . . . 127 A CA . 28035 1 456 . 1 . 1 127 127 ALA CB C 13 17.718 0.040 . 1 . . . . . 127 A CB . 28035 1 457 . 1 . 1 127 127 ALA N N 15 120.407 0.111 . 1 . . . . . 127 A N . 28035 1 458 . 1 . 1 128 128 ARG C C 13 177.887 0.051 . 1 . . . . . 128 R C . 28035 1 459 . 1 . 1 128 128 ARG CA C 13 61.406 0.106 . 1 . . . . . 128 R CA . 28035 1 460 . 1 . 1 128 128 ARG CB C 13 29.952 0.077 . 1 . . . . . 128 R CB . 28035 1 461 . 1 . 1 128 128 ARG CD C 13 43.936 0.045 . 1 . . . . . 128 R CD . 28035 1 462 . 1 . 1 128 128 ARG N N 15 114.141 0.084 . 1 . . . . . 128 R N . 28035 1 463 . 1 . 1 129 129 ARG C C 13 180.651 0.099 . 1 . . . . . 129 R C . 28035 1 464 . 1 . 1 129 129 ARG CA C 13 58.562 0.057 . 1 . . . . . 129 R CA . 28035 1 465 . 1 . 1 129 129 ARG CB C 13 29.493 0.071 . 1 . . . . . 129 R CB . 28035 1 466 . 1 . 1 129 129 ARG CG C 13 27.020 0.007 . 1 . . . . . 129 R CG . 28035 1 467 . 1 . 1 129 129 ARG CD C 13 41.152 0.000 . 1 . . . . . 129 R CD . 28035 1 468 . 1 . 1 129 129 ARG N N 15 120.942 0.121 . 1 . . . . . 129 R N . 28035 1 469 . 1 . 1 130 130 ILE C C 13 178.253 0.140 . 1 . . . . . 130 I C . 28035 1 470 . 1 . 1 130 130 ILE CA C 13 64.427 0.067 . 1 . . . . . 130 I CA . 28035 1 471 . 1 . 1 130 130 ILE CB C 13 36.871 0.028 . 1 . . . . . 130 I CB . 28035 1 472 . 1 . 1 130 130 ILE CG1 C 13 28.958 0.041 . 1 . . . . . 130 I CG1 . 28035 1 473 . 1 . 1 130 130 ILE CG2 C 13 19.682 0.026 . 1 . . . . . 130 I CG2 . 28035 1 474 . 1 . 1 130 130 ILE CD1 C 13 13.085 0.041 . 1 . . . . . 130 I CD1 . 28035 1 475 . 1 . 1 130 130 ILE N N 15 122.458 0.093 . 1 . . . . . 130 I N . 28035 1 476 . 1 . 1 131 131 ARG C C 13 177.361 0.040 . 1 . . . . . 131 R C . 28035 1 477 . 1 . 1 131 131 ARG CA C 13 58.455 0.082 . 1 . . . . . 131 R CA . 28035 1 478 . 1 . 1 131 131 ARG CB C 13 32.575 0.044 . 1 . . . . . 131 R CB . 28035 1 479 . 1 . 1 131 131 ARG N N 15 117.940 0.108 . 1 . . . . . 131 R N . 28035 1 480 . 1 . 1 132 132 GLY CA C 13 46.130 0.000 . 1 . . . . . 132 G CA . 28035 1 481 . 1 . 1 132 132 GLY N N 15 106.619 0.079 . 1 . . . . . 132 G N . 28035 1 stop_ save_