data_26672 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26672 _Entry.Title ; Backbone 1H, 13C (C, CA, CB), and 15N Chemical Shift Assignments for the low complexity prion-like domain of Fused in Sarcoma (FUS 1-163) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-09-23 _Entry.Accession_date 2015-09-23 _Entry.Last_release_date 2015-10-09 _Entry.Original_release_date 2015-10-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Kathleen Burke . A. . . 26672 2 Nicolas Fawzi . L. . . 26672 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26672 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 408 26672 '15N chemical shifts' 145 26672 '1H chemical shifts' 145 26672 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 . . 2016-07-08 2015-09-23 update BMRB 'update entry citation' 26672 1 . . 2015-10-09 2015-09-23 original author 'original release' 26672 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 26672 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26455390 _Citation.Full_citation . _Citation.Title ; Residue-by-Residue View of In Vitro FUS Granules that Bind the C-Terminal Domain of RNA Polymerase II ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Cell' _Citation.Journal_name_full . _Citation.Journal_volume 60 _Citation.Journal_issue 2 _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 231 _Citation.Page_last 241 _Citation.Year 2015 _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 Kathleen Burke . A. . . 26672 1 2 Abigail Janke . M. . . 26672 1 3 Christy Rhine . L. . . 26672 1 4 Nicolas Fawzi . L. . . 26672 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID FUS 26672 1 NMR 26672 1 'RNA binding protein' 26672 1 'RNA polymerase II' 26672 1 TLS 26672 1 droplet 26672 1 granule 26672 1 'intrisically disordered protein' 26672 1 'low complexity' 26672 1 'phase separation' 26672 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26672 _Assembly.ID 1 _Assembly.Name 'FUS LC monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'FUS LC monomer' 1 $Fused_in_Sarcoma_Low_Complesity_Domain A . yes 'intrinsically disordered' no no . . . 26672 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'RNA splicing' 26672 1 'nuclear puncta formation' 26672 1 'stress granule formation' 26672 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Fused_in_Sarcoma_Low_Complesity_Domain _Entity.Sf_category entity _Entity.Sf_framecode Fused_in_Sarcoma_Low_Complesity_Domain _Entity.Entry_ID 26672 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Fused_in_Sarcoma_Low_Complesity_Domain _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 ; MASNDYTQQATQSYGAYPTQ PGQGYSQQSSQPYGQQSYSG YSQSTDTSGYGQSSYSSYGQ SQNTGYGTQSTPQGYGSTGG YGSSQSSQSSYGQQSSYPGY GQQPAPSSTSGSYGSSSQSS SYGQPQSGSYSQQPSYGGQQ QSYGQQQSYNPPQGYGQQNQ YNS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'This is the N-terminal low complexity domain of FUS known as SYGQ-rich, QGSY-rich, or prion-like domain' _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 163 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'low complexity domain of FUS known as SYGQ-rich, QGSY-rich, or prion-like domain' _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_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P35637 . FUS_HUMAN . . . . . . . . . . . . . . 26672 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'protein interaction domain' 26672 1 'transcriptional activation domain' 26672 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 . 26672 1 2 . ALA . 26672 1 3 . SER . 26672 1 4 . ASN . 26672 1 5 . ASP . 26672 1 6 . TYR . 26672 1 7 . THR . 26672 1 8 . GLN . 26672 1 9 . GLN . 26672 1 10 . ALA . 26672 1 11 . THR . 26672 1 12 . GLN . 26672 1 13 . SER . 26672 1 14 . TYR . 26672 1 15 . GLY . 26672 1 16 . ALA . 26672 1 17 . TYR . 26672 1 18 . PRO . 26672 1 19 . THR . 26672 1 20 . GLN . 26672 1 21 . PRO . 26672 1 22 . GLY . 26672 1 23 . GLN . 26672 1 24 . GLY . 26672 1 25 . TYR . 26672 1 26 . SER . 26672 1 27 . GLN . 26672 1 28 . GLN . 26672 1 29 . SER . 26672 1 30 . SER . 26672 1 31 . GLN . 26672 1 32 . PRO . 26672 1 33 . TYR . 26672 1 34 . GLY . 26672 1 35 . GLN . 26672 1 36 . GLN . 26672 1 37 . SER . 26672 1 38 . TYR . 26672 1 39 . SER . 26672 1 40 . GLY . 26672 1 41 . TYR . 26672 1 42 . SER . 26672 1 43 . GLN . 26672 1 44 . SER . 26672 1 45 . THR . 26672 1 46 . ASP . 26672 1 47 . THR . 26672 1 48 . SER . 26672 1 49 . GLY . 26672 1 50 . TYR . 26672 1 51 . GLY . 26672 1 52 . GLN . 26672 1 53 . SER . 26672 1 54 . SER . 26672 1 55 . TYR . 26672 1 56 . SER . 26672 1 57 . SER . 26672 1 58 . TYR . 26672 1 59 . GLY . 26672 1 60 . GLN . 26672 1 61 . SER . 26672 1 62 . GLN . 26672 1 63 . ASN . 26672 1 64 . THR . 26672 1 65 . GLY . 26672 1 66 . TYR . 26672 1 67 . GLY . 26672 1 68 . THR . 26672 1 69 . GLN . 26672 1 70 . SER . 26672 1 71 . THR . 26672 1 72 . PRO . 26672 1 73 . GLN . 26672 1 74 . GLY . 26672 1 75 . TYR . 26672 1 76 . GLY . 26672 1 77 . SER . 26672 1 78 . THR . 26672 1 79 . GLY . 26672 1 80 . GLY . 26672 1 81 . TYR . 26672 1 82 . GLY . 26672 1 83 . SER . 26672 1 84 . SER . 26672 1 85 . GLN . 26672 1 86 . SER . 26672 1 87 . SER . 26672 1 88 . GLN . 26672 1 89 . SER . 26672 1 90 . SER . 26672 1 91 . TYR . 26672 1 92 . GLY . 26672 1 93 . GLN . 26672 1 94 . GLN . 26672 1 95 . SER . 26672 1 96 . SER . 26672 1 97 . TYR . 26672 1 98 . PRO . 26672 1 99 . GLY . 26672 1 100 . TYR . 26672 1 101 . GLY . 26672 1 102 . GLN . 26672 1 103 . GLN . 26672 1 104 . PRO . 26672 1 105 . ALA . 26672 1 106 . PRO . 26672 1 107 . SER . 26672 1 108 . SER . 26672 1 109 . THR . 26672 1 110 . SER . 26672 1 111 . GLY . 26672 1 112 . SER . 26672 1 113 . TYR . 26672 1 114 . GLY . 26672 1 115 . SER . 26672 1 116 . SER . 26672 1 117 . SER . 26672 1 118 . GLN . 26672 1 119 . SER . 26672 1 120 . SER . 26672 1 121 . SER . 26672 1 122 . TYR . 26672 1 123 . GLY . 26672 1 124 . GLN . 26672 1 125 . PRO . 26672 1 126 . GLN . 26672 1 127 . SER . 26672 1 128 . GLY . 26672 1 129 . SER . 26672 1 130 . TYR . 26672 1 131 . SER . 26672 1 132 . GLN . 26672 1 133 . GLN . 26672 1 134 . PRO . 26672 1 135 . SER . 26672 1 136 . TYR . 26672 1 137 . GLY . 26672 1 138 . GLY . 26672 1 139 . GLN . 26672 1 140 . GLN . 26672 1 141 . GLN . 26672 1 142 . SER . 26672 1 143 . TYR . 26672 1 144 . GLY . 26672 1 145 . GLN . 26672 1 146 . GLN . 26672 1 147 . GLN . 26672 1 148 . SER . 26672 1 149 . TYR . 26672 1 150 . ASN . 26672 1 151 . PRO . 26672 1 152 . PRO . 26672 1 153 . GLN . 26672 1 154 . GLY . 26672 1 155 . TYR . 26672 1 156 . GLY . 26672 1 157 . GLN . 26672 1 158 . GLN . 26672 1 159 . ASN . 26672 1 160 . GLN . 26672 1 161 . TYR . 26672 1 162 . ASN . 26672 1 163 . SER . 26672 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 26672 1 . ALA 2 2 26672 1 . SER 3 3 26672 1 . ASN 4 4 26672 1 . ASP 5 5 26672 1 . TYR 6 6 26672 1 . THR 7 7 26672 1 . GLN 8 8 26672 1 . GLN 9 9 26672 1 . ALA 10 10 26672 1 . THR 11 11 26672 1 . GLN 12 12 26672 1 . SER 13 13 26672 1 . TYR 14 14 26672 1 . GLY 15 15 26672 1 . ALA 16 16 26672 1 . TYR 17 17 26672 1 . PRO 18 18 26672 1 . THR 19 19 26672 1 . GLN 20 20 26672 1 . PRO 21 21 26672 1 . GLY 22 22 26672 1 . GLN 23 23 26672 1 . GLY 24 24 26672 1 . TYR 25 25 26672 1 . SER 26 26 26672 1 . GLN 27 27 26672 1 . GLN 28 28 26672 1 . SER 29 29 26672 1 . SER 30 30 26672 1 . GLN 31 31 26672 1 . PRO 32 32 26672 1 . TYR 33 33 26672 1 . GLY 34 34 26672 1 . GLN 35 35 26672 1 . GLN 36 36 26672 1 . SER 37 37 26672 1 . TYR 38 38 26672 1 . SER 39 39 26672 1 . GLY 40 40 26672 1 . TYR 41 41 26672 1 . SER 42 42 26672 1 . GLN 43 43 26672 1 . SER 44 44 26672 1 . THR 45 45 26672 1 . ASP 46 46 26672 1 . THR 47 47 26672 1 . SER 48 48 26672 1 . GLY 49 49 26672 1 . TYR 50 50 26672 1 . GLY 51 51 26672 1 . GLN 52 52 26672 1 . SER 53 53 26672 1 . SER 54 54 26672 1 . TYR 55 55 26672 1 . SER 56 56 26672 1 . SER 57 57 26672 1 . TYR 58 58 26672 1 . GLY 59 59 26672 1 . GLN 60 60 26672 1 . SER 61 61 26672 1 . GLN 62 62 26672 1 . ASN 63 63 26672 1 . THR 64 64 26672 1 . GLY 65 65 26672 1 . TYR 66 66 26672 1 . GLY 67 67 26672 1 . THR 68 68 26672 1 . GLN 69 69 26672 1 . SER 70 70 26672 1 . THR 71 71 26672 1 . PRO 72 72 26672 1 . GLN 73 73 26672 1 . GLY 74 74 26672 1 . TYR 75 75 26672 1 . GLY 76 76 26672 1 . SER 77 77 26672 1 . THR 78 78 26672 1 . GLY 79 79 26672 1 . GLY 80 80 26672 1 . TYR 81 81 26672 1 . GLY 82 82 26672 1 . SER 83 83 26672 1 . SER 84 84 26672 1 . GLN 85 85 26672 1 . SER 86 86 26672 1 . SER 87 87 26672 1 . GLN 88 88 26672 1 . SER 89 89 26672 1 . SER 90 90 26672 1 . TYR 91 91 26672 1 . GLY 92 92 26672 1 . GLN 93 93 26672 1 . GLN 94 94 26672 1 . SER 95 95 26672 1 . SER 96 96 26672 1 . TYR 97 97 26672 1 . PRO 98 98 26672 1 . GLY 99 99 26672 1 . TYR 100 100 26672 1 . GLY 101 101 26672 1 . GLN 102 102 26672 1 . GLN 103 103 26672 1 . PRO 104 104 26672 1 . ALA 105 105 26672 1 . PRO 106 106 26672 1 . SER 107 107 26672 1 . SER 108 108 26672 1 . THR 109 109 26672 1 . SER 110 110 26672 1 . GLY 111 111 26672 1 . SER 112 112 26672 1 . TYR 113 113 26672 1 . GLY 114 114 26672 1 . SER 115 115 26672 1 . SER 116 116 26672 1 . SER 117 117 26672 1 . GLN 118 118 26672 1 . SER 119 119 26672 1 . SER 120 120 26672 1 . SER 121 121 26672 1 . TYR 122 122 26672 1 . GLY 123 123 26672 1 . GLN 124 124 26672 1 . PRO 125 125 26672 1 . GLN 126 126 26672 1 . SER 127 127 26672 1 . GLY 128 128 26672 1 . SER 129 129 26672 1 . TYR 130 130 26672 1 . SER 131 131 26672 1 . GLN 132 132 26672 1 . GLN 133 133 26672 1 . PRO 134 134 26672 1 . SER 135 135 26672 1 . TYR 136 136 26672 1 . GLY 137 137 26672 1 . GLY 138 138 26672 1 . GLN 139 139 26672 1 . GLN 140 140 26672 1 . GLN 141 141 26672 1 . SER 142 142 26672 1 . TYR 143 143 26672 1 . GLY 144 144 26672 1 . GLN 145 145 26672 1 . GLN 146 146 26672 1 . GLN 147 147 26672 1 . SER 148 148 26672 1 . TYR 149 149 26672 1 . ASN 150 150 26672 1 . PRO 151 151 26672 1 . PRO 152 152 26672 1 . GLN 153 153 26672 1 . GLY 154 154 26672 1 . TYR 155 155 26672 1 . GLY 156 156 26672 1 . GLN 157 157 26672 1 . GLN 158 158 26672 1 . ASN 159 159 26672 1 . GLN 160 160 26672 1 . TYR 161 161 26672 1 . ASN 162 162 26672 1 . SER 163 163 26672 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 26672 _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 $Fused_in_Sarcoma_Low_Complesity_Domain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26672 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 26672 _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 $Fused_in_Sarcoma_Low_Complesity_Domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . 'BL21 Star DE3' . . . . pET21 . . . 26672 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26672 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; Sample was made by diluting high pH solubilized FUS 1-163 (~5mM peptide in 20 mM CAPS pH 11.0) into 20 mM MES pH 5 for a final sample pH of 5.5 ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Fused in Sarcoma Low Complesity Domain' '[U-99% 13C; U-99% 15N]' . . 1 $Fused_in_Sarcoma_Low_Complesity_Domain . . 50 . . uM . . . . 26672 1 2 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 26672 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26672 1 4 MES 'natural abundance' . . . . . . 20 . . mM . . . . 26672 1 5 CAPS 'natural abundance' . . . . . . 0.2 . . mM . . . . 26672 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 26672 _Sample_condition_list.ID 1 _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 1 mM 26672 1 pH 5.5 . pH 26672 1 pressure 1 . atm 26672 1 temperature 298 . K 26672 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26672 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26672 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26672 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26672 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26672 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26672 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 26672 _Software.ID 3 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 26672 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26672 3 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 26672 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III HD' _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 26672 _NMR_spectrometer_list.ID 1 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 III HD' . 850 . . . 26672 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 26672 _Experiment_list.ID 1 _Experiment_list.Details 'The resonance assignment was done on U-[15N/13C] samples in 90% H20 10% D20.' 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 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26672 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26672 1 3 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26672 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26672 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26672 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26672 1 7 '3D (H)N(CA)NNH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26672 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 26672 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details '1H reference to water' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26672 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26672 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26672 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 26672 _Assigned_chem_shift_list.ID 1 _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 1H-15N HSQC' . . . 26672 1 2 '3D HNCO' . . . 26672 1 3 '3D HN(CA)CO' . . . 26672 1 4 '3D CBCA(CO)NH' . . . 26672 1 5 '3D HNCACB' . . . 26672 1 6 '3D HNCA' . . . 26672 1 7 '3D (H)N(CA)NNH' . . . 26672 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $CARA . . 26672 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 SER H H 1 8.689 0.020 . 1 . . . . 3 SER H . 26672 1 2 . 1 1 3 3 SER C C 13 174.389 0.3 . 1 . . . . 3 SER C . 26672 1 3 . 1 1 3 3 SER CA C 13 58.269 0.3 . 1 . . . . 3 SER CA . 26672 1 4 . 1 1 3 3 SER CB C 13 63.624 0.3 . 1 . . . . 3 SER CB . 26672 1 5 . 1 1 3 3 SER N N 15 115.579 0.3 . 1 . . . . 3 SER N . 26672 1 6 . 1 1 4 4 ASN H H 1 8.507 0.020 . 1 . . . . 4 ASN H . 26672 1 7 . 1 1 4 4 ASN C C 13 174.622 0.3 . 1 . . . . 4 ASN C . 26672 1 8 . 1 1 4 4 ASN CA C 13 53.109 0.3 . 1 . . . . 4 ASN CA . 26672 1 9 . 1 1 4 4 ASN CB C 13 38.788 0.3 . 1 . . . . 4 ASN CB . 26672 1 10 . 1 1 4 4 ASN N N 15 120.135 0.3 . 1 . . . . 4 ASN N . 26672 1 11 . 1 1 7 7 THR H H 1 8.018 0.020 . 1 . . . . 7 THR H . 26672 1 12 . 1 1 7 7 THR C C 13 174.725 0.3 . 1 . . . . 7 THR C . 26672 1 13 . 1 1 7 7 THR CA C 13 62.552 0.3 . 1 . . . . 7 THR CA . 26672 1 14 . 1 1 7 7 THR CB C 13 69.650 0.3 . 1 . . . . 7 THR CB . 26672 1 15 . 1 1 7 7 THR N N 15 115.329 0.3 . 1 . . . . 7 THR N . 26672 1 16 . 1 1 8 8 GLN H H 1 8.174 0.020 . 1 . . . . 8 GLN H . 26672 1 17 . 1 1 8 8 GLN C C 13 176.008 0.3 . 1 . . . . 8 GLN C . 26672 1 18 . 1 1 8 8 GLN CA C 13 55.966 0.3 . 1 . . . . 8 GLN CA . 26672 1 19 . 1 1 8 8 GLN CB C 13 28.999 0.3 . 1 . . . . 8 GLN CB . 26672 1 20 . 1 1 8 8 GLN N N 15 122.014 0.3 . 1 . . . . 8 GLN N . 26672 1 21 . 1 1 9 9 GLN H H 1 8.257 0.020 . 1 . . . . 9 GLN H . 26672 1 22 . 1 1 9 9 GLN C C 13 175.941 0.3 . 1 . . . . 9 GLN C . 26672 1 23 . 1 1 9 9 GLN CA C 13 55.933 0.3 . 1 . . . . 9 GLN CA . 26672 1 24 . 1 1 9 9 GLN CB C 13 29.227 0.3 . 1 . . . . 9 GLN CB . 26672 1 25 . 1 1 9 9 GLN N N 15 121.139 0.3 . 1 . . . . 9 GLN N . 26672 1 26 . 1 1 10 10 ALA H H 1 8.332 0.020 . 1 . . . . 10 ALA H . 26672 1 27 . 1 1 10 10 ALA C C 13 178.033 0.3 . 1 . . . . 10 ALA C . 26672 1 28 . 1 1 10 10 ALA CA C 13 52.747 0.3 . 1 . . . . 10 ALA CA . 26672 1 29 . 1 1 10 10 ALA CB C 13 19.051 0.3 . 1 . . . . 10 ALA CB . 26672 1 30 . 1 1 10 10 ALA N N 15 124.973 0.3 . 1 . . . . 10 ALA N . 26672 1 31 . 1 1 11 11 THR H H 1 8.054 0.020 . 1 . . . . 11 THR H . 26672 1 32 . 1 1 11 11 THR C C 13 174.595 0.3 . 1 . . . . 11 THR C . 26672 1 33 . 1 1 11 11 THR CA C 13 61.987 0.3 . 1 . . . . 11 THR CA . 26672 1 34 . 1 1 11 11 THR CB C 13 69.693 0.3 . 1 . . . . 11 THR CB . 26672 1 35 . 1 1 11 11 THR N N 15 113.027 0.3 . 1 . . . . 11 THR N . 26672 1 36 . 1 1 12 12 GLN H H 1 8.276 0.020 . 1 . . . . 12 GLN H . 26672 1 37 . 1 1 12 12 GLN C C 13 175.697 0.3 . 1 . . . . 12 GLN C . 26672 1 38 . 1 1 12 12 GLN CA C 13 55.746 0.3 . 1 . . . . 12 GLN CA . 26672 1 39 . 1 1 12 12 GLN CB C 13 29.388 0.3 . 1 . . . . 12 GLN CB . 26672 1 40 . 1 1 12 12 GLN N N 15 122.313 0.3 . 1 . . . . 12 GLN N . 26672 1 41 . 1 1 13 13 SER H H 1 8.234 0.020 . 1 . . . . 13 SER H . 26672 1 42 . 1 1 13 13 SER C C 13 174.115 0.3 . 1 . . . . 13 SER C . 26672 1 43 . 1 1 13 13 SER CA C 13 58.099 0.3 . 1 . . . . 13 SER CA . 26672 1 44 . 1 1 13 13 SER CB C 13 63.752 0.3 . 1 . . . . 13 SER CB . 26672 1 45 . 1 1 13 13 SER N N 15 116.819 0.3 . 1 . . . . 13 SER N . 26672 1 46 . 1 1 14 14 TYR H H 1 8.185 0.020 . 1 . . . . 14 TYR H . 26672 1 47 . 1 1 14 14 TYR C C 13 176.270 0.3 . 1 . . . . 14 TYR C . 26672 1 48 . 1 1 14 14 TYR CA C 13 57.940 0.3 . 1 . . . . 14 TYR CA . 26672 1 49 . 1 1 14 14 TYR CB C 13 38.620 0.3 . 1 . . . . 14 TYR CB . 26672 1 50 . 1 1 14 14 TYR N N 15 122.124 0.3 . 1 . . . . 14 TYR N . 26672 1 51 . 1 1 15 15 GLY H H 1 8.198 0.020 . 1 . . . . 15 GLY H . 26672 1 52 . 1 1 15 15 GLY C C 13 173.344 0.3 . 1 . . . . 15 GLY C . 26672 1 53 . 1 1 15 15 GLY CA C 13 45.115 0.3 . 1 . . . . 15 GLY CA . 26672 1 54 . 1 1 15 15 GLY N N 15 110.388 0.3 . 1 . . . . 15 GLY N . 26672 1 55 . 1 1 16 16 ALA H H 1 7.923 0.020 . 1 . . . . 16 ALA H . 26672 1 56 . 1 1 16 16 ALA C C 13 176.896 0.3 . 1 . . . . 16 ALA C . 26672 1 57 . 1 1 16 16 ALA CA C 13 52.147 0.3 . 1 . . . . 16 ALA CA . 26672 1 58 . 1 1 16 16 ALA CB C 13 19.265 0.3 . 1 . . . . 16 ALA CB . 26672 1 59 . 1 1 16 16 ALA N N 15 123.280 0.3 . 1 . . . . 16 ALA N . 26672 1 60 . 1 1 17 17 TYR H H 1 8.046 0.020 . 1 . . . . 17 TYR H . 26672 1 61 . 1 1 17 17 TYR C C 13 174.036 0.3 . 1 . . . . 17 TYR C . 26672 1 62 . 1 1 17 17 TYR CA C 13 55.579 0.3 . 1 . . . . 17 TYR CA . 26672 1 63 . 1 1 17 17 TYR CB C 13 38.127 0.3 . 1 . . . . 17 TYR CB . 26672 1 64 . 1 1 17 17 TYR N N 15 120.124 0.3 . 1 . . . . 17 TYR N . 26672 1 65 . 1 1 19 19 THR H H 1 8.122 0.020 . 1 . . . . 19 THR H . 26672 1 66 . 1 1 19 19 THR C C 13 174.391 0.3 . 1 . . . . 19 THR C . 26672 1 67 . 1 1 19 19 THR CA C 13 61.770 0.3 . 1 . . . . 19 THR CA . 26672 1 68 . 1 1 19 19 THR CB C 13 69.824 0.3 . 1 . . . . 19 THR CB . 26672 1 69 . 1 1 19 19 THR N N 15 114.184 0.3 . 1 . . . . 19 THR N . 26672 1 70 . 1 1 20 20 GLN H H 1 8.282 0.020 . 1 . . . . 20 GLN H . 26672 1 71 . 1 1 20 20 GLN C C 13 173.893 0.3 . 1 . . . . 20 GLN C . 26672 1 72 . 1 1 20 20 GLN CA C 13 53.454 0.3 . 1 . . . . 20 GLN CA . 26672 1 73 . 1 1 20 20 GLN CB C 13 28.860 0.3 . 1 . . . . 20 GLN CB . 26672 1 74 . 1 1 20 20 GLN N N 15 123.237 0.3 . 1 . . . . 20 GLN N . 26672 1 75 . 1 1 22 22 GLY H H 1 8.478 0.020 . 1 . . . . 22 GLY H . 26672 1 76 . 1 1 22 22 GLY C C 13 174.216 0.3 . 1 . . . . 22 GLY C . 26672 1 77 . 1 1 22 22 GLY CA C 13 45.209 0.3 . 1 . . . . 22 GLY CA . 26672 1 78 . 1 1 22 22 GLY N N 15 109.487 0.3 . 1 . . . . 22 GLY N . 26672 1 79 . 1 1 23 23 GLN H H 1 8.141 0.020 . 1 . . . . 23 GLN H . 26672 1 80 . 1 1 23 23 GLN C C 13 176.399 0.3 . 1 . . . . 23 GLN C . 26672 1 81 . 1 1 23 23 GLN CA C 13 55.791 0.3 . 1 . . . . 23 GLN CA . 26672 1 82 . 1 1 23 23 GLN CB C 13 29.391 0.3 . 1 . . . . 23 GLN CB . 26672 1 83 . 1 1 23 23 GLN N N 15 119.430 0.3 . 1 . . . . 23 GLN N . 26672 1 84 . 1 1 24 24 GLY H H 1 8.411 0.020 . 1 . . . . 24 GLY H . 26672 1 85 . 1 1 24 24 GLY C C 13 173.808 0.3 . 1 . . . . 24 GLY C . 26672 1 86 . 1 1 24 24 GLY CA C 13 45.147 0.3 . 1 . . . . 24 GLY CA . 26672 1 87 . 1 1 24 24 GLY N N 15 109.768 0.3 . 1 . . . . 24 GLY N . 26672 1 88 . 1 1 25 25 TYR H H 1 8.031 0.020 . 1 . . . . 25 TYR H . 26672 1 89 . 1 1 25 25 TYR C C 13 175.946 0.3 . 1 . . . . 25 TYR C . 26672 1 90 . 1 1 25 25 TYR CA C 13 58.064 0.3 . 1 . . . . 25 TYR CA . 26672 1 91 . 1 1 25 25 TYR CB C 13 38.461 0.3 . 1 . . . . 25 TYR CB . 26672 1 92 . 1 1 25 25 TYR N N 15 120.046 0.3 . 1 . . . . 25 TYR N . 26672 1 93 . 1 1 26 26 SER H H 1 8.209 0.020 . 1 . . . . 26 SER H . 26672 1 94 . 1 1 26 26 SER C C 13 174.320 0.3 . 1 . . . . 26 SER C . 26672 1 95 . 1 1 26 26 SER CA C 13 58.066 0.3 . 1 . . . . 26 SER CA . 26672 1 96 . 1 1 26 26 SER CB C 13 63.868 0.3 . 1 . . . . 26 SER CB . 26672 1 97 . 1 1 26 26 SER N N 15 117.611 0.3 . 1 . . . . 26 SER N . 26672 1 98 . 1 1 27 27 GLN H H 1 8.348 0.020 . 1 . . . . 27 GLN H . 26672 1 99 . 1 1 27 27 GLN C C 13 175.999 0.3 . 1 . . . . 27 GLN C . 26672 1 100 . 1 1 27 27 GLN CA C 13 56.049 0.3 . 1 . . . . 27 GLN CA . 26672 1 101 . 1 1 27 27 GLN CB C 13 29.190 0.3 . 1 . . . . 27 GLN CB . 26672 1 102 . 1 1 27 27 GLN N N 15 122.226 0.3 . 1 . . . . 27 GLN N . 26672 1 103 . 1 1 28 28 GLN H H 1 8.356 0.020 . 1 . . . . 28 GLN H . 26672 1 104 . 1 1 28 28 GLN C C 13 176.061 0.3 . 1 . . . . 28 GLN C . 26672 1 105 . 1 1 28 28 GLN CA C 13 56.094 0.3 . 1 . . . . 28 GLN CA . 26672 1 106 . 1 1 28 28 GLN CB C 13 29.244 0.3 . 1 . . . . 28 GLN CB . 26672 1 107 . 1 1 28 28 GLN N N 15 121.087 0.3 . 1 . . . . 28 GLN N . 26672 1 108 . 1 1 29 29 SER H H 1 8.305 0.020 . 1 . . . . 29 SER H . 26672 1 109 . 1 1 29 29 SER C C 13 174.480 0.3 . 1 . . . . 29 SER C . 26672 1 110 . 1 1 29 29 SER CA C 13 58.282 0.3 . 1 . . . . 29 SER CA . 26672 1 111 . 1 1 29 29 SER CB C 13 63.763 0.3 . 1 . . . . 29 SER CB . 26672 1 112 . 1 1 29 29 SER N N 15 116.663 0.3 . 1 . . . . 29 SER N . 26672 1 113 . 1 1 30 30 SER H H 1 8.289 0.020 . 1 . . . . 30 SER H . 26672 1 114 . 1 1 30 30 SER C C 13 174.035 0.3 . 1 . . . . 30 SER C . 26672 1 115 . 1 1 30 30 SER CA C 13 58.293 0.3 . 1 . . . . 30 SER CA . 26672 1 116 . 1 1 30 30 SER CB C 13 63.709 0.3 . 1 . . . . 30 SER CB . 26672 1 117 . 1 1 30 30 SER N N 15 117.463 0.3 . 1 . . . . 30 SER N . 26672 1 118 . 1 1 31 31 GLN H H 1 8.218 0.020 . 1 . . . . 31 GLN H . 26672 1 119 . 1 1 31 31 GLN C C 13 174.017 0.3 . 1 . . . . 31 GLN C . 26672 1 120 . 1 1 31 31 GLN CA C 13 53.565 0.3 . 1 . . . . 31 GLN CA . 26672 1 121 . 1 1 31 31 GLN CB C 13 28.869 0.3 . 1 . . . . 31 GLN CB . 26672 1 122 . 1 1 31 31 GLN N N 15 122.337 0.3 . 1 . . . . 31 GLN N . 26672 1 123 . 1 1 33 33 TYR H H 1 8.151 0.020 . 1 . . . . 33 TYR H . 26672 1 124 . 1 1 33 33 TYR C C 13 176.496 0.3 . 1 . . . . 33 TYR C . 26672 1 125 . 1 1 33 33 TYR CA C 13 57.901 0.3 . 1 . . . . 33 TYR CA . 26672 1 126 . 1 1 33 33 TYR CB C 13 38.461 0.3 . 1 . . . . 33 TYR CB . 26672 1 127 . 1 1 33 33 TYR N N 15 120.020 0.3 . 1 . . . . 33 TYR N . 26672 1 128 . 1 1 34 34 GLY H H 1 8.191 0.020 . 1 . . . . 34 GLY H . 26672 1 129 . 1 1 34 34 GLY C C 13 174.027 0.3 . 1 . . . . 34 GLY C . 26672 1 130 . 1 1 34 34 GLY CA C 13 45.188 0.3 . 1 . . . . 34 GLY CA . 26672 1 131 . 1 1 34 34 GLY N N 15 110.624 0.3 . 1 . . . . 34 GLY N . 26672 1 132 . 1 1 35 35 GLN H H 1 8.128 0.020 . 1 . . . . 35 GLN H . 26672 1 133 . 1 1 35 35 GLN C C 13 175.993 0.3 . 1 . . . . 35 GLN C . 26672 1 134 . 1 1 35 35 GLN CA C 13 55.855 0.3 . 1 . . . . 35 GLN CA . 26672 1 135 . 1 1 35 35 GLN CB C 13 29.330 0.3 . 1 . . . . 35 GLN CB . 26672 1 136 . 1 1 35 35 GLN N N 15 119.697 0.3 . 1 . . . . 35 GLN N . 26672 1 137 . 1 1 36 36 GLN H H 1 8.418 0.020 . 1 . . . . 36 GLN H . 26672 1 138 . 1 1 36 36 GLN C C 13 175.802 0.3 . 1 . . . . 36 GLN C . 26672 1 139 . 1 1 36 36 GLN CA C 13 55.869 0.3 . 1 . . . . 36 GLN CA . 26672 1 140 . 1 1 36 36 GLN CB C 13 29.296 0.3 . 1 . . . . 36 GLN CB . 26672 1 141 . 1 1 36 36 GLN N N 15 121.347 0.3 . 1 . . . . 36 GLN N . 26672 1 142 . 1 1 37 37 SER H H 1 8.247 0.020 . 1 . . . . 37 SER H . 26672 1 143 . 1 1 37 37 SER C C 13 174.121 0.3 . 1 . . . . 37 SER C . 26672 1 144 . 1 1 37 37 SER CA C 13 58.076 0.3 . 1 . . . . 37 SER CA . 26672 1 145 . 1 1 37 37 SER CB C 13 63.752 0.3 . 1 . . . . 37 SER CB . 26672 1 146 . 1 1 37 37 SER N N 15 116.571 0.3 . 1 . . . . 37 SER N . 26672 1 147 . 1 1 38 38 TYR H H 1 8.213 0.020 . 1 . . . . 38 TYR H . 26672 1 148 . 1 1 38 38 TYR C C 13 175.848 0.3 . 1 . . . . 38 TYR C . 26672 1 149 . 1 1 38 38 TYR CA C 13 57.862 0.3 . 1 . . . . 38 TYR CA . 26672 1 150 . 1 1 38 38 TYR CB C 13 38.696 0.3 . 1 . . . . 38 TYR CB . 26672 1 151 . 1 1 38 38 TYR N N 15 122.239 0.3 . 1 . . . . 38 TYR N . 26672 1 152 . 1 1 39 39 SER H H 1 8.241 0.020 . 1 . . . . 39 SER H . 26672 1 153 . 1 1 39 39 SER C C 13 174.666 0.3 . 1 . . . . 39 SER C . 26672 1 154 . 1 1 39 39 SER CA C 13 58.353 0.3 . 1 . . . . 39 SER CA . 26672 1 155 . 1 1 39 39 SER CB C 13 63.715 0.3 . 1 . . . . 39 SER CB . 26672 1 156 . 1 1 39 39 SER N N 15 117.862 0.3 . 1 . . . . 39 SER N . 26672 1 157 . 1 1 40 40 GLY H H 1 7.795 0.020 . 1 . . . . 40 GLY H . 26672 1 158 . 1 1 40 40 GLY C C 13 173.621 0.3 . 1 . . . . 40 GLY C . 26672 1 159 . 1 1 40 40 GLY CA C 13 45.147 0.3 . 1 . . . . 40 GLY CA . 26672 1 160 . 1 1 40 40 GLY N N 15 110.096 0.3 . 1 . . . . 40 GLY N . 26672 1 161 . 1 1 41 41 TYR H H 1 7.953 0.020 . 1 . . . . 41 TYR H . 26672 1 162 . 1 1 41 41 TYR C C 13 175.840 0.3 . 1 . . . . 41 TYR C . 26672 1 163 . 1 1 41 41 TYR CA C 13 57.901 0.3 . 1 . . . . 41 TYR CA . 26672 1 164 . 1 1 41 41 TYR CB C 13 38.788 0.3 . 1 . . . . 41 TYR CB . 26672 1 165 . 1 1 41 41 TYR N N 15 119.944 0.3 . 1 . . . . 41 TYR N . 26672 1 166 . 1 1 42 42 SER H H 1 8.170 0.020 . 1 . . . . 42 SER H . 26672 1 167 . 1 1 42 42 SER C C 13 174.080 0.3 . 1 . . . . 42 SER C . 26672 1 168 . 1 1 42 42 SER CA C 13 58.042 0.3 . 1 . . . . 42 SER CA . 26672 1 169 . 1 1 42 42 SER CB C 13 63.844 0.3 . 1 . . . . 42 SER CB . 26672 1 170 . 1 1 42 42 SER N N 15 117.845 0.3 . 1 . . . . 42 SER N . 26672 1 171 . 1 1 43 43 GLN H H 1 8.331 0.020 . 1 . . . . 43 GLN H . 26672 1 172 . 1 1 43 43 GLN C C 13 175.963 0.3 . 1 . . . . 43 GLN C . 26672 1 173 . 1 1 43 43 GLN CA C 13 55.868 0.3 . 1 . . . . 43 GLN CA . 26672 1 174 . 1 1 43 43 GLN CB C 13 29.411 0.3 . 1 . . . . 43 GLN CB . 26672 1 175 . 1 1 43 43 GLN N N 15 122.287 0.3 . 1 . . . . 43 GLN N . 26672 1 176 . 1 1 44 44 SER H H 1 8.337 0.020 . 1 . . . . 44 SER H . 26672 1 177 . 1 1 44 44 SER C C 13 174.844 0.3 . 1 . . . . 44 SER C . 26672 1 178 . 1 1 44 44 SER CA C 13 58.316 0.3 . 1 . . . . 44 SER CA . 26672 1 179 . 1 1 44 44 SER CB C 13 63.706 0.3 . 1 . . . . 44 SER CB . 26672 1 180 . 1 1 44 44 SER N N 15 116.764 0.3 . 1 . . . . 44 SER N . 26672 1 181 . 1 1 45 45 THR H H 1 8.161 0.020 . 1 . . . . 45 THR H . 26672 1 182 . 1 1 45 45 THR C C 13 174.312 0.3 . 1 . . . . 45 THR C . 26672 1 183 . 1 1 45 45 THR CA C 13 61.962 0.3 . 1 . . . . 45 THR CA . 26672 1 184 . 1 1 45 45 THR CB C 13 69.609 0.3 . 1 . . . . 45 THR CB . 26672 1 185 . 1 1 45 45 THR N N 15 115.289 0.3 . 1 . . . . 45 THR N . 26672 1 186 . 1 1 46 46 ASP H H 1 8.303 0.020 . 1 . . . . 46 ASP H . 26672 1 187 . 1 1 46 46 ASP C C 13 176.781 0.3 . 1 . . . . 46 ASP C . 26672 1 188 . 1 1 46 46 ASP CA C 13 54.328 0.3 . 1 . . . . 46 ASP CA . 26672 1 189 . 1 1 46 46 ASP CB C 13 41.048 0.3 . 1 . . . . 46 ASP CB . 26672 1 190 . 1 1 46 46 ASP N N 15 122.651 0.3 . 1 . . . . 46 ASP N . 26672 1 191 . 1 1 47 47 THR H H 1 8.207 0.020 . 1 . . . . 47 THR H . 26672 1 192 . 1 1 47 47 THR C C 13 175.190 0.3 . 1 . . . . 47 THR C . 26672 1 193 . 1 1 47 47 THR CA C 13 61.755 0.3 . 1 . . . . 47 THR CA . 26672 1 194 . 1 1 47 47 THR CB C 13 69.201 0.3 . 1 . . . . 47 THR CB . 26672 1 195 . 1 1 47 47 THR N N 15 114.521 0.3 . 1 . . . . 47 THR N . 26672 1 196 . 1 1 48 48 SER H H 1 8.355 0.020 . 1 . . . . 48 SER H . 26672 1 197 . 1 1 48 48 SER C C 13 175.146 0.3 . 1 . . . . 48 SER C . 26672 1 198 . 1 1 48 48 SER CA C 13 59.346 0.3 . 1 . . . . 48 SER CA . 26672 1 199 . 1 1 48 48 SER CB C 13 63.713 0.3 . 1 . . . . 48 SER CB . 26672 1 200 . 1 1 48 48 SER N N 15 118.182 0.3 . 1 . . . . 48 SER N . 26672 1 201 . 1 1 49 49 GLY H H 1 8.303 0.020 . 1 . . . . 49 GLY H . 26672 1 202 . 1 1 49 49 GLY C C 13 174.109 0.3 . 1 . . . . 49 GLY C . 26672 1 203 . 1 1 49 49 GLY CA C 13 45.271 0.3 . 1 . . . . 49 GLY CA . 26672 1 204 . 1 1 49 49 GLY N N 15 110.344 0.3 . 1 . . . . 49 GLY N . 26672 1 205 . 1 1 50 50 TYR H H 1 8.032 0.020 . 1 . . . . 50 TYR H . 26672 1 206 . 1 1 50 50 TYR C C 13 176.656 0.3 . 1 . . . . 50 TYR C . 26672 1 207 . 1 1 50 50 TYR CA C 13 58.112 0.3 . 1 . . . . 50 TYR CA . 26672 1 208 . 1 1 50 50 TYR CB C 13 38.460 0.3 . 1 . . . . 50 TYR CB . 26672 1 209 . 1 1 50 50 TYR N N 15 120.135 0.3 . 1 . . . . 50 TYR N . 26672 1 210 . 1 1 51 51 GLY H H 1 8.348 0.020 . 1 . . . . 51 GLY H . 26672 1 211 . 1 1 51 51 GLY C C 13 174.133 0.3 . 1 . . . . 51 GLY C . 26672 1 212 . 1 1 51 51 GLY CA C 13 45.295 0.3 . 1 . . . . 51 GLY CA . 26672 1 213 . 1 1 51 51 GLY N N 15 110.641 0.3 . 1 . . . . 51 GLY N . 26672 1 214 . 1 1 52 52 GLN H H 1 8.129 0.020 . 1 . . . . 52 GLN H . 26672 1 215 . 1 1 52 52 GLN C C 13 176.194 0.3 . 1 . . . . 52 GLN C . 26672 1 216 . 1 1 52 52 GLN CA C 13 55.835 0.3 . 1 . . . . 52 GLN CA . 26672 1 217 . 1 1 52 52 GLN CB C 13 29.261 0.3 . 1 . . . . 52 GLN CB . 26672 1 218 . 1 1 52 52 GLN N N 15 119.724 0.3 . 1 . . . . 52 GLN N . 26672 1 219 . 1 1 53 53 SER H H 1 8.377 0.020 . 1 . . . . 53 SER H . 26672 1 220 . 1 1 53 53 SER C C 13 174.595 0.3 . 1 . . . . 53 SER C . 26672 1 221 . 1 1 53 53 SER CA C 13 58.476 0.3 . 1 . . . . 53 SER CA . 26672 1 222 . 1 1 53 53 SER CB C 13 63.740 0.3 . 1 . . . . 53 SER CB . 26672 1 223 . 1 1 53 53 SER N N 15 116.683 0.3 . 1 . . . . 53 SER N . 26672 1 224 . 1 1 54 54 SER H H 1 8.258 0.020 . 1 . . . . 54 SER H . 26672 1 225 . 1 1 54 54 SER C C 13 174.187 0.3 . 1 . . . . 54 SER C . 26672 1 226 . 1 1 54 54 SER CA C 13 58.453 0.3 . 1 . . . . 54 SER CA . 26672 1 227 . 1 1 54 54 SER CB C 13 63.667 0.3 . 1 . . . . 54 SER CB . 26672 1 228 . 1 1 54 54 SER N N 15 117.379 0.3 . 1 . . . . 54 SER N . 26672 1 229 . 1 1 55 55 TYR H H 1 8.104 0.020 . 1 . . . . 55 TYR H . 26672 1 230 . 1 1 55 55 TYR C C 13 175.857 0.3 . 1 . . . . 55 TYR C . 26672 1 231 . 1 1 55 55 TYR CA C 13 58.125 0.3 . 1 . . . . 55 TYR CA . 26672 1 232 . 1 1 55 55 TYR CB C 13 38.518 0.3 . 1 . . . . 55 TYR CB . 26672 1 233 . 1 1 55 55 TYR N N 15 121.723 0.3 . 1 . . . . 55 TYR N . 26672 1 234 . 1 1 56 56 SER H H 1 8.078 0.020 . 1 . . . . 56 SER H . 26672 1 235 . 1 1 56 56 SER C C 13 174.382 0.3 . 1 . . . . 56 SER C . 26672 1 236 . 1 1 56 56 SER CA C 13 58.114 0.3 . 1 . . . . 56 SER CA . 26672 1 237 . 1 1 56 56 SER CB C 13 63.889 0.3 . 1 . . . . 56 SER CB . 26672 1 238 . 1 1 56 56 SER N N 15 116.988 0.3 . 1 . . . . 56 SER N . 26672 1 239 . 1 1 57 57 SER H H 1 8.179 0.020 . 1 . . . . 57 SER H . 26672 1 240 . 1 1 57 57 SER C C 13 174.320 0.3 . 1 . . . . 57 SER C . 26672 1 241 . 1 1 57 57 SER CA C 13 58.278 0.3 . 1 . . . . 57 SER CA . 26672 1 242 . 1 1 57 57 SER CB C 13 63.726 0.3 . 1 . . . . 57 SER CB . 26672 1 243 . 1 1 57 57 SER N N 15 117.688 0.3 . 1 . . . . 57 SER N . 26672 1 244 . 1 1 58 58 TYR H H 1 8.093 0.020 . 1 . . . . 58 TYR H . 26672 1 245 . 1 1 58 58 TYR C C 13 176.496 0.3 . 1 . . . . 58 TYR C . 26672 1 246 . 1 1 58 58 TYR CA C 13 58.185 0.3 . 1 . . . . 58 TYR CA . 26672 1 247 . 1 1 58 58 TYR CB C 13 38.503 0.3 . 1 . . . . 58 TYR CB . 26672 1 248 . 1 1 58 58 TYR N N 15 121.834 0.3 . 1 . . . . 58 TYR N . 26672 1 249 . 1 1 59 59 GLY H H 1 8.230 0.020 . 1 . . . . 59 GLY H . 26672 1 250 . 1 1 59 59 GLY C C 13 174.144 0.3 . 1 . . . . 59 GLY C . 26672 1 251 . 1 1 59 59 GLY CA C 13 45.292 0.3 . 1 . . . . 59 GLY CA . 26672 1 252 . 1 1 59 59 GLY N N 15 110.439 0.3 . 1 . . . . 59 GLY N . 26672 1 253 . 1 1 60 60 GLN H H 1 8.095 0.020 . 1 . . . . 60 GLN H . 26672 1 254 . 1 1 60 60 GLN C C 13 176.221 0.3 . 1 . . . . 60 GLN C . 26672 1 255 . 1 1 60 60 GLN CA C 13 55.791 0.3 . 1 . . . . 60 GLN CA . 26672 1 256 . 1 1 60 60 GLN CB C 13 29.348 0.3 . 1 . . . . 60 GLN CB . 26672 1 257 . 1 1 60 60 GLN N N 15 119.592 0.3 . 1 . . . . 60 GLN N . 26672 1 258 . 1 1 61 61 SER H H 1 8.343 0.020 . 1 . . . . 61 SER H . 26672 1 259 . 1 1 61 61 SER C C 13 174.542 0.3 . 1 . . . . 61 SER C . 26672 1 260 . 1 1 61 61 SER CA C 13 58.465 0.3 . 1 . . . . 61 SER CA . 26672 1 261 . 1 1 61 61 SER CB C 13 63.752 0.3 . 1 . . . . 61 SER CB . 26672 1 262 . 1 1 61 61 SER N N 15 116.678 0.3 . 1 . . . . 61 SER N . 26672 1 263 . 1 1 62 62 GLN H H 1 8.395 0.020 . 1 . . . . 62 GLN H . 26672 1 264 . 1 1 62 62 GLN C C 13 175.688 0.3 . 1 . . . . 62 GLN C . 26672 1 265 . 1 1 62 62 GLN CA C 13 55.896 0.3 . 1 . . . . 62 GLN CA . 26672 1 266 . 1 1 62 62 GLN CB C 13 29.247 0.3 . 1 . . . . 62 GLN CB . 26672 1 267 . 1 1 62 62 GLN N N 15 121.573 0.3 . 1 . . . . 62 GLN N . 26672 1 268 . 1 1 63 63 ASN H H 1 8.423 0.020 . 1 . . . . 63 ASN H . 26672 1 269 . 1 1 63 63 ASN C C 13 175.421 0.3 . 1 . . . . 63 ASN C . 26672 1 270 . 1 1 63 63 ASN CA C 13 53.255 0.3 . 1 . . . . 63 ASN CA . 26672 1 271 . 1 1 63 63 ASN CB C 13 38.685 0.3 . 1 . . . . 63 ASN CB . 26672 1 272 . 1 1 63 63 ASN N N 15 119.566 0.3 . 1 . . . . 63 ASN N . 26672 1 273 . 1 1 64 64 THR H H 1 8.110 0.020 . 1 . . . . 64 THR H . 26672 1 274 . 1 1 64 64 THR C C 13 175.048 0.3 . 1 . . . . 64 THR C . 26672 1 275 . 1 1 64 64 THR CA C 13 61.944 0.3 . 1 . . . . 64 THR CA . 26672 1 276 . 1 1 64 64 THR CB C 13 69.606 0.3 . 1 . . . . 64 THR CB . 26672 1 277 . 1 1 64 64 THR N N 15 113.726 0.3 . 1 . . . . 64 THR N . 26672 1 278 . 1 1 65 65 GLY H H 1 8.313 0.020 . 1 . . . . 65 GLY H . 26672 1 279 . 1 1 65 65 GLY C C 13 173.905 0.3 . 1 . . . . 65 GLY C . 26672 1 280 . 1 1 65 65 GLY CA C 13 45.157 0.3 . 1 . . . . 65 GLY CA . 26672 1 281 . 1 1 65 65 GLY N N 15 110.502 0.3 . 1 . . . . 65 GLY N . 26672 1 282 . 1 1 67 67 GLY H H 1 8.336 0.020 . 1 . . . . 67 GLY H . 26672 1 283 . 1 1 67 67 GLY C C 13 174.389 0.3 . 1 . . . . 67 GLY C . 26672 1 284 . 1 1 67 67 GLY CA C 13 45.299 0.3 . 1 . . . . 67 GLY CA . 26672 1 285 . 1 1 67 67 GLY N N 15 110.734 0.3 . 1 . . . . 67 GLY N . 26672 1 286 . 1 1 68 68 THR H H 1 8.036 0.020 . 1 . . . . 68 THR H . 26672 1 287 . 1 1 68 68 THR C C 13 174.746 0.3 . 1 . . . . 68 THR C . 26672 1 288 . 1 1 68 68 THR CA C 13 61.915 0.3 . 1 . . . . 68 THR CA . 26672 1 289 . 1 1 68 68 THR CB C 13 69.751 0.3 . 1 . . . . 68 THR CB . 26672 1 290 . 1 1 68 68 THR N N 15 113.440 0.3 . 1 . . . . 68 THR N . 26672 1 291 . 1 1 69 69 GLN H H 1 8.435 0.020 . 1 . . . . 69 GLN H . 26672 1 292 . 1 1 69 69 GLN C C 13 175.857 0.3 . 1 . . . . 69 GLN C . 26672 1 293 . 1 1 69 69 GLN CA C 13 55.720 0.3 . 1 . . . . 69 GLN CA . 26672 1 294 . 1 1 69 69 GLN CB C 13 29.379 0.3 . 1 . . . . 69 GLN CB . 26672 1 295 . 1 1 69 69 GLN N N 15 122.325 0.3 . 1 . . . . 69 GLN N . 26672 1 296 . 1 1 70 70 SER H H 1 8.338 0.020 . 1 . . . . 70 SER H . 26672 1 297 . 1 1 70 70 SER C C 13 174.213 0.3 . 1 . . . . 70 SER C . 26672 1 298 . 1 1 70 70 SER CA C 13 58.259 0.3 . 1 . . . . 70 SER CA . 26672 1 299 . 1 1 70 70 SER CB C 13 63.752 0.3 . 1 . . . . 70 SER CB . 26672 1 300 . 1 1 70 70 SER N N 15 117.080 0.3 . 1 . . . . 70 SER N . 26672 1 301 . 1 1 71 71 THR H H 1 8.129 0.020 . 1 . . . . 71 THR H . 26672 1 302 . 1 1 71 71 THR C C 13 172.889 0.3 . 1 . . . . 71 THR C . 26672 1 303 . 1 1 71 71 THR CA C 13 59.601 0.3 . 1 . . . . 71 THR CA . 26672 1 304 . 1 1 71 71 THR CB C 13 69.627 0.3 . 1 . . . . 71 THR CB . 26672 1 305 . 1 1 71 71 THR N N 15 117.557 0.3 . 1 . . . . 71 THR N . 26672 1 306 . 1 1 73 73 GLN H H 1 8.418 0.020 . 1 . . . . 73 GLN H . 26672 1 307 . 1 1 73 73 GLN C C 13 176.443 0.3 . 1 . . . . 73 GLN C . 26672 1 308 . 1 1 73 73 GLN CA C 13 55.995 0.3 . 1 . . . . 73 GLN CA . 26672 1 309 . 1 1 73 73 GLN CB C 13 29.313 0.3 . 1 . . . . 73 GLN CB . 26672 1 310 . 1 1 73 73 GLN N N 15 120.365 0.3 . 1 . . . . 73 GLN N . 26672 1 311 . 1 1 74 74 GLY H H 1 8.305 0.020 . 1 . . . . 74 GLY H . 26672 1 312 . 1 1 74 74 GLY C C 13 173.879 0.3 . 1 . . . . 74 GLY C . 26672 1 313 . 1 1 74 74 GLY CA C 13 45.033 0.3 . 1 . . . . 74 GLY CA . 26672 1 314 . 1 1 74 74 GLY N N 15 109.858 0.3 . 1 . . . . 74 GLY N . 26672 1 315 . 1 1 75 75 TYR H H 1 8.072 0.020 . 1 . . . . 75 TYR H . 26672 1 316 . 1 1 75 75 TYR C C 13 176.496 0.3 . 1 . . . . 75 TYR C . 26672 1 317 . 1 1 75 75 TYR CA C 13 58.112 0.3 . 1 . . . . 75 TYR CA . 26672 1 318 . 1 1 75 75 TYR CB C 13 38.690 0.3 . 1 . . . . 75 TYR CB . 26672 1 319 . 1 1 75 75 TYR N N 15 120.115 0.3 . 1 . . . . 75 TYR N . 26672 1 320 . 1 1 76 76 GLY H H 1 8.357 0.020 . 1 . . . . 76 GLY H . 26672 1 321 . 1 1 76 76 GLY C C 13 174.227 0.3 . 1 . . . . 76 GLY C . 26672 1 322 . 1 1 76 76 GLY CA C 13 45.198 0.3 . 1 . . . . 76 GLY CA . 26672 1 323 . 1 1 76 76 GLY N N 15 110.872 0.3 . 1 . . . . 76 GLY N . 26672 1 324 . 1 1 77 77 SER H H 1 8.190 0.020 . 1 . . . . 77 SER H . 26672 1 325 . 1 1 77 77 SER C C 13 175.133 0.3 . 1 . . . . 77 SER C . 26672 1 326 . 1 1 77 77 SER CA C 13 58.385 0.3 . 1 . . . . 77 SER CA . 26672 1 327 . 1 1 77 77 SER CB C 13 63.852 0.3 . 1 . . . . 77 SER CB . 26672 1 328 . 1 1 77 77 SER N N 15 115.581 0.3 . 1 . . . . 77 SER N . 26672 1 329 . 1 1 78 78 THR H H 1 8.220 0.020 . 1 . . . . 78 THR H . 26672 1 330 . 1 1 78 78 THR C C 13 175.208 0.3 . 1 . . . . 78 THR C . 26672 1 331 . 1 1 78 78 THR CA C 13 61.973 0.3 . 1 . . . . 78 THR CA . 26672 1 332 . 1 1 78 78 THR CB C 13 69.635 0.3 . 1 . . . . 78 THR CB . 26672 1 333 . 1 1 78 78 THR N N 15 114.817 0.3 . 1 . . . . 78 THR N . 26672 1 334 . 1 1 79 79 GLY H H 1 8.311 0.020 . 1 . . . . 79 GLY H . 26672 1 335 . 1 1 79 79 GLY C C 13 174.419 0.3 . 1 . . . . 79 GLY C . 26672 1 336 . 1 1 79 79 GLY CA C 13 45.333 0.3 . 1 . . . . 79 GLY CA . 26672 1 337 . 1 1 79 79 GLY N N 15 110.687 0.3 . 1 . . . . 79 GLY N . 26672 1 338 . 1 1 80 80 GLY H H 1 8.141 0.020 . 1 . . . . 80 GLY H . 26672 1 339 . 1 1 80 80 GLY C C 13 173.959 0.3 . 1 . . . . 80 GLY C . 26672 1 340 . 1 1 80 80 GLY CA C 13 44.991 0.3 . 1 . . . . 80 GLY CA . 26672 1 341 . 1 1 80 80 GLY N N 15 108.314 0.3 . 1 . . . . 80 GLY N . 26672 1 342 . 1 1 81 81 TYR H H 1 8.122 0.020 . 1 . . . . 81 TYR H . 26672 1 343 . 1 1 81 81 TYR C C 13 176.212 0.3 . 1 . . . . 81 TYR C . 26672 1 344 . 1 1 81 81 TYR CA C 13 58.153 0.3 . 1 . . . . 81 TYR CA . 26672 1 345 . 1 1 81 81 TYR CB C 13 38.611 0.3 . 1 . . . . 81 TYR CB . 26672 1 346 . 1 1 81 81 TYR N N 15 120.168 0.3 . 1 . . . . 81 TYR N . 26672 1 347 . 1 1 82 82 GLY H H 1 8.359 0.020 . 1 . . . . 82 GLY H . 26672 1 348 . 1 1 82 82 GLY C C 13 174.231 0.3 . 1 . . . . 82 GLY C . 26672 1 349 . 1 1 82 82 GLY CA C 13 45.240 0.3 . 1 . . . . 82 GLY CA . 26672 1 350 . 1 1 82 82 GLY N N 15 110.974 0.3 . 1 . . . . 82 GLY N . 26672 1 351 . 1 1 83 83 SER H H 1 8.142 0.020 . 1 . . . . 83 SER H . 26672 1 352 . 1 1 83 83 SER C C 13 174.871 0.3 . 1 . . . . 83 SER C . 26672 1 353 . 1 1 83 83 SER CA C 13 58.298 0.3 . 1 . . . . 83 SER CA . 26672 1 354 . 1 1 83 83 SER CB C 13 63.910 0.3 . 1 . . . . 83 SER CB . 26672 1 355 . 1 1 83 83 SER N N 15 115.499 0.3 . 1 . . . . 83 SER N . 26672 1 356 . 1 1 84 84 SER H H 1 8.406 0.020 . 1 . . . . 84 SER H . 26672 1 357 . 1 1 84 84 SER C C 13 174.720 0.3 . 1 . . . . 84 SER C . 26672 1 358 . 1 1 84 84 SER CA C 13 58.455 0.3 . 1 . . . . 84 SER CA . 26672 1 359 . 1 1 84 84 SER CB C 13 63.717 0.3 . 1 . . . . 84 SER CB . 26672 1 360 . 1 1 84 84 SER N N 15 117.628 0.3 . 1 . . . . 84 SER N . 26672 1 361 . 1 1 85 85 GLN H H 1 8.371 0.020 . 1 . . . . 85 GLN H . 26672 1 362 . 1 1 85 85 GLN C C 13 176.168 0.3 . 1 . . . . 85 GLN C . 26672 1 363 . 1 1 85 85 GLN CA C 13 56.020 0.3 . 1 . . . . 85 GLN CA . 26672 1 364 . 1 1 85 85 GLN CB C 13 29.230 0.3 . 1 . . . . 85 GLN CB . 26672 1 365 . 1 1 85 85 GLN N N 15 121.841 0.3 . 1 . . . . 85 GLN N . 26672 1 366 . 1 1 86 86 SER H H 1 8.285 0.020 . 1 . . . . 86 SER H . 26672 1 367 . 1 1 86 86 SER C C 13 174.763 0.3 . 1 . . . . 86 SER C . 26672 1 368 . 1 1 86 86 SER CA C 13 58.408 0.3 . 1 . . . . 86 SER CA . 26672 1 369 . 1 1 86 86 SER CB C 13 63.752 0.3 . 1 . . . . 86 SER CB . 26672 1 370 . 1 1 86 86 SER N N 15 116.460 0.3 . 1 . . . . 86 SER N . 26672 1 371 . 1 1 87 87 SER H H 1 8.319 0.020 . 1 . . . . 87 SER H . 26672 1 372 . 1 1 87 87 SER C C 13 174.631 0.3 . 1 . . . . 87 SER C . 26672 1 373 . 1 1 87 87 SER CA C 13 58.496 0.3 . 1 . . . . 87 SER CA . 26672 1 374 . 1 1 87 87 SER CB C 13 63.653 0.3 . 1 . . . . 87 SER CB . 26672 1 375 . 1 1 87 87 SER N N 15 117.490 0.3 . 1 . . . . 87 SER N . 26672 1 376 . 1 1 88 88 GLN H H 1 8.326 0.020 . 1 . . . . 88 GLN H . 26672 1 377 . 1 1 88 88 GLN C C 13 176.114 0.3 . 1 . . . . 88 GLN C . 26672 1 378 . 1 1 88 88 GLN CA C 13 55.943 0.3 . 1 . . . . 88 GLN CA . 26672 1 379 . 1 1 88 88 GLN CB C 13 29.230 0.3 . 1 . . . . 88 GLN CB . 26672 1 380 . 1 1 88 88 GLN N N 15 121.762 0.3 . 1 . . . . 88 GLN N . 26672 1 381 . 1 1 89 89 SER H H 1 8.269 0.020 . 1 . . . . 89 SER H . 26672 1 382 . 1 1 89 89 SER C C 13 174.599 0.3 . 1 . . . . 89 SER C . 26672 1 383 . 1 1 89 89 SER CA C 13 58.408 0.3 . 1 . . . . 89 SER CA . 26672 1 384 . 1 1 89 89 SER CB C 13 63.740 0.3 . 1 . . . . 89 SER CB . 26672 1 385 . 1 1 89 89 SER N N 15 116.492 0.3 . 1 . . . . 89 SER N . 26672 1 386 . 1 1 90 90 SER H H 1 8.225 0.020 . 1 . . . . 90 SER H . 26672 1 387 . 1 1 90 90 SER C C 13 174.249 0.3 . 1 . . . . 90 SER C . 26672 1 388 . 1 1 90 90 SER CA C 13 58.326 0.3 . 1 . . . . 90 SER CA . 26672 1 389 . 1 1 90 90 SER CB C 13 63.681 0.3 . 1 . . . . 90 SER CB . 26672 1 390 . 1 1 90 90 SER N N 15 117.486 0.3 . 1 . . . . 90 SER N . 26672 1 391 . 1 1 91 91 TYR H H 1 8.127 0.020 . 1 . . . . 91 TYR H . 26672 1 392 . 1 1 91 91 TYR C C 13 176.452 0.3 . 1 . . . . 91 TYR C . 26672 1 393 . 1 1 91 91 TYR CA C 13 58.250 0.3 . 1 . . . . 91 TYR CA . 26672 1 394 . 1 1 91 91 TYR CB C 13 38.472 0.3 . 1 . . . . 91 TYR CB . 26672 1 395 . 1 1 91 91 TYR N N 15 121.840 0.3 . 1 . . . . 91 TYR N . 26672 1 396 . 1 1 92 92 GLY H H 1 8.232 0.020 . 1 . . . . 92 GLY H . 26672 1 397 . 1 1 92 92 GLY C C 13 174.156 0.3 . 1 . . . . 92 GLY C . 26672 1 398 . 1 1 92 92 GLY CA C 13 45.292 0.3 . 1 . . . . 92 GLY CA . 26672 1 399 . 1 1 92 92 GLY N N 15 110.337 0.3 . 1 . . . . 92 GLY N . 26672 1 400 . 1 1 93 93 GLN H H 1 8.125 0.020 . 1 . . . . 93 GLN H . 26672 1 401 . 1 1 93 93 GLN C C 13 176.194 0.3 . 1 . . . . 93 GLN C . 26672 1 402 . 1 1 93 93 GLN CA C 13 55.835 0.3 . 1 . . . . 93 GLN CA . 26672 1 403 . 1 1 93 93 GLN CB C 13 29.304 0.3 . 1 . . . . 93 GLN CB . 26672 1 404 . 1 1 93 93 GLN N N 15 119.588 0.3 . 1 . . . . 93 GLN N . 26672 1 405 . 1 1 95 95 SER H H 1 8.296 0.020 . 1 . . . . 95 SER H . 26672 1 406 . 1 1 95 95 SER C C 13 174.258 0.3 . 1 . . . . 95 SER C . 26672 1 407 . 1 1 95 95 SER CA C 13 58.339 0.3 . 1 . . . . 95 SER CA . 26672 1 408 . 1 1 95 95 SER CB C 13 63.763 0.3 . 1 . . . . 95 SER CB . 26672 1 409 . 1 1 95 95 SER N N 15 116.528 0.3 . 1 . . . . 95 SER N . 26672 1 410 . 1 1 96 96 SER H H 1 8.139 0.020 . 1 . . . . 96 SER H . 26672 1 411 . 1 1 96 96 SER C C 13 173.467 0.3 . 1 . . . . 96 SER C . 26672 1 412 . 1 1 96 96 SER CA C 13 58.130 0.3 . 1 . . . . 96 SER CA . 26672 1 413 . 1 1 96 96 SER CB C 13 63.739 0.3 . 1 . . . . 96 SER CB . 26672 1 414 . 1 1 96 96 SER N N 15 117.041 0.3 . 1 . . . . 96 SER N . 26672 1 415 . 1 1 97 97 TYR H H 1 8.074 0.020 . 1 . . . . 97 TYR H . 26672 1 416 . 1 1 97 97 TYR C C 13 174.098 0.3 . 1 . . . . 97 TYR C . 26672 1 417 . 1 1 97 97 TYR CA C 13 55.488 0.3 . 1 . . . . 97 TYR CA . 26672 1 418 . 1 1 97 97 TYR CB C 13 38.066 0.3 . 1 . . . . 97 TYR CB . 26672 1 419 . 1 1 97 97 TYR N N 15 122.728 0.3 . 1 . . . . 97 TYR N . 26672 1 420 . 1 1 99 99 GLY H H 1 7.895 0.020 . 1 . . . . 99 GLY H . 26672 1 421 . 1 1 99 99 GLY C C 13 173.879 0.3 . 1 . . . . 99 GLY C . 26672 1 422 . 1 1 99 99 GLY CA C 13 45.095 0.3 . 1 . . . . 99 GLY CA . 26672 1 423 . 1 1 99 99 GLY N N 15 108.590 0.3 . 1 . . . . 99 GLY N . 26672 1 424 . 1 1 100 100 TYR H H 1 7.911 0.020 . 1 . . . . 100 TYR H . 26672 1 425 . 1 1 100 100 TYR C C 13 176.441 0.3 . 1 . . . . 100 TYR C . 26672 1 426 . 1 1 100 100 TYR CA C 13 58.173 0.3 . 1 . . . . 100 TYR CA . 26672 1 427 . 1 1 100 100 TYR CB C 13 38.625 0.3 . 1 . . . . 100 TYR CB . 26672 1 428 . 1 1 100 100 TYR N N 15 120.029 0.3 . 1 . . . . 100 TYR N . 26672 1 429 . 1 1 101 101 GLY H H 1 8.336 0.020 . 1 . . . . 101 GLY H . 26672 1 430 . 1 1 101 101 GLY C C 13 173.911 0.3 . 1 . . . . 101 GLY C . 26672 1 431 . 1 1 101 101 GLY CA C 13 45.157 0.3 . 1 . . . . 101 GLY CA . 26672 1 432 . 1 1 101 101 GLY N N 15 111.084 0.3 . 1 . . . . 101 GLY N . 26672 1 433 . 1 1 102 102 GLN H H 1 8.078 0.020 . 1 . . . . 102 GLN H . 26672 1 434 . 1 1 102 102 GLN C C 13 175.732 0.3 . 1 . . . . 102 GLN C . 26672 1 435 . 1 1 102 102 GLN CA C 13 55.576 0.3 . 1 . . . . 102 GLN CA . 26672 1 436 . 1 1 102 102 GLN CB C 13 29.391 0.3 . 1 . . . . 102 GLN CB . 26672 1 437 . 1 1 102 102 GLN N N 15 119.520 0.3 . 1 . . . . 102 GLN N . 26672 1 438 . 1 1 103 103 GLN H H 1 8.405 0.020 . 1 . . . . 103 GLN H . 26672 1 439 . 1 1 103 103 GLN C C 13 173.805 0.3 . 1 . . . . 103 GLN C . 26672 1 440 . 1 1 103 103 GLN CA C 13 53.577 0.3 . 1 . . . . 103 GLN CA . 26672 1 441 . 1 1 103 103 GLN CB C 13 28.727 0.3 . 1 . . . . 103 GLN CB . 26672 1 442 . 1 1 103 103 GLN N N 15 122.713 0.3 . 1 . . . . 103 GLN N . 26672 1 443 . 1 1 105 105 ALA H H 1 8.358 0.020 . 1 . . . . 105 ALA H . 26672 1 444 . 1 1 105 105 ALA C C 13 175.697 0.3 . 1 . . . . 105 ALA C . 26672 1 445 . 1 1 105 105 ALA CA C 13 50.289 0.3 . 1 . . . . 105 ALA CA . 26672 1 446 . 1 1 105 105 ALA CB C 13 17.884 0.3 . 1 . . . . 105 ALA CB . 26672 1 447 . 1 1 105 105 ALA N N 15 125.577 0.3 . 1 . . . . 105 ALA N . 26672 1 448 . 1 1 107 107 SER H H 1 8.380 0.020 . 1 . . . . 107 SER H . 26672 1 449 . 1 1 107 107 SER C C 13 174.835 0.3 . 1 . . . . 107 SER C . 26672 1 450 . 1 1 107 107 SER CA C 13 58.202 0.3 . 1 . . . . 107 SER CA . 26672 1 451 . 1 1 107 107 SER CB C 13 63.738 0.3 . 1 . . . . 107 SER CB . 26672 1 452 . 1 1 107 107 SER N N 15 115.703 0.3 . 1 . . . . 107 SER N . 26672 1 453 . 1 1 108 108 SER H H 1 8.389 0.020 . 1 . . . . 108 SER H . 26672 1 454 . 1 1 108 108 SER C C 13 174.968 0.3 . 1 . . . . 108 SER C . 26672 1 455 . 1 1 108 108 SER CA C 13 58.433 0.3 . 1 . . . . 108 SER CA . 26672 1 456 . 1 1 108 108 SER CB C 13 63.792 0.3 . 1 . . . . 108 SER CB . 26672 1 457 . 1 1 108 108 SER N N 15 117.544 0.3 . 1 . . . . 108 SER N . 26672 1 458 . 1 1 109 109 THR H H 1 8.195 0.020 . 1 . . . . 109 THR H . 26672 1 459 . 1 1 109 109 THR C C 13 174.824 0.3 . 1 . . . . 109 THR C . 26672 1 460 . 1 1 109 109 THR CA C 13 61.813 0.3 . 1 . . . . 109 THR CA . 26672 1 461 . 1 1 109 109 THR CB C 13 69.606 0.3 . 1 . . . . 109 THR CB . 26672 1 462 . 1 1 109 109 THR N N 15 114.889 0.3 . 1 . . . . 109 THR N . 26672 1 463 . 1 1 110 110 SER H H 1 8.238 0.020 . 1 . . . . 110 SER H . 26672 1 464 . 1 1 110 110 SER C C 13 174.986 0.3 . 1 . . . . 110 SER C . 26672 1 465 . 1 1 110 110 SER CA C 13 58.578 0.3 . 1 . . . . 110 SER CA . 26672 1 466 . 1 1 110 110 SER CB C 13 63.726 0.3 . 1 . . . . 110 SER CB . 26672 1 467 . 1 1 110 110 SER N N 15 117.745 0.3 . 1 . . . . 110 SER N . 26672 1 468 . 1 1 111 111 GLY H H 1 8.342 0.020 . 1 . . . . 111 GLY H . 26672 1 469 . 1 1 111 111 GLY C C 13 174.104 0.3 . 1 . . . . 111 GLY C . 26672 1 470 . 1 1 111 111 GLY CA C 13 45.323 0.3 . 1 . . . . 111 GLY CA . 26672 1 471 . 1 1 111 111 GLY N N 15 110.712 0.3 . 1 . . . . 111 GLY N . 26672 1 472 . 1 1 112 112 SER H H 1 8.094 0.020 . 1 . . . . 112 SER H . 26672 1 473 . 1 1 112 112 SER C C 13 174.311 0.3 . 1 . . . . 112 SER C . 26672 1 474 . 1 1 112 112 SER CA C 13 58.124 0.3 . 1 . . . . 112 SER CA . 26672 1 475 . 1 1 112 112 SER CB C 13 63.735 0.3 . 1 . . . . 112 SER CB . 26672 1 476 . 1 1 112 112 SER N N 15 115.426 0.3 . 1 . . . . 112 SER N . 26672 1 477 . 1 1 113 113 TYR H H 1 8.249 0.020 . 1 . . . . 113 TYR H . 26672 1 478 . 1 1 113 113 TYR C C 13 176.425 0.3 . 1 . . . . 113 TYR C . 26672 1 479 . 1 1 113 113 TYR CA C 13 58.088 0.3 . 1 . . . . 113 TYR CA . 26672 1 480 . 1 1 113 113 TYR CB C 13 38.552 0.3 . 1 . . . . 113 TYR CB . 26672 1 481 . 1 1 113 113 TYR N N 15 122.264 0.3 . 1 . . . . 113 TYR N . 26672 1 482 . 1 1 114 114 GLY H H 1 8.279 0.020 . 1 . . . . 114 GLY H . 26672 1 483 . 1 1 114 114 GLY C C 13 174.209 0.3 . 1 . . . . 114 GLY C . 26672 1 484 . 1 1 114 114 GLY CA C 13 45.188 0.3 . 1 . . . . 114 GLY CA . 26672 1 485 . 1 1 114 114 GLY N N 15 110.645 0.3 . 1 . . . . 114 GLY N . 26672 1 486 . 1 1 115 115 SER H H 1 8.172 0.020 . 1 . . . . 115 SER H . 26672 1 487 . 1 1 115 115 SER C C 13 174.871 0.3 . 1 . . . . 115 SER C . 26672 1 488 . 1 1 115 115 SER CA C 13 58.327 0.3 . 1 . . . . 115 SER CA . 26672 1 489 . 1 1 115 115 SER CB C 13 63.881 0.3 . 1 . . . . 115 SER CB . 26672 1 490 . 1 1 115 115 SER N N 15 115.582 0.3 . 1 . . . . 115 SER N . 26672 1 491 . 1 1 116 116 SER H H 1 8.418 0.020 . 1 . . . . 116 SER H . 26672 1 492 . 1 1 116 116 SER C C 13 174.755 0.3 . 1 . . . . 116 SER C . 26672 1 493 . 1 1 116 116 SER CA C 13 58.455 0.3 . 1 . . . . 116 SER CA . 26672 1 494 . 1 1 116 116 SER CB C 13 63.761 0.3 . 1 . . . . 116 SER CB . 26672 1 495 . 1 1 116 116 SER N N 15 117.692 0.3 . 1 . . . . 116 SER N . 26672 1 496 . 1 1 117 117 SER H H 1 8.322 0.020 . 1 . . . . 117 SER H . 26672 1 497 . 1 1 117 117 SER C C 13 174.604 0.3 . 1 . . . . 117 SER C . 26672 1 498 . 1 1 117 117 SER CA C 13 58.425 0.3 . 1 . . . . 117 SER CA . 26672 1 499 . 1 1 117 117 SER CB C 13 63.731 0.3 . 1 . . . . 117 SER CB . 26672 1 500 . 1 1 117 117 SER N N 15 117.710 0.3 . 1 . . . . 117 SER N . 26672 1 501 . 1 1 118 118 GLN H H 1 8.317 0.020 . 1 . . . . 118 GLN H . 26672 1 502 . 1 1 118 118 GLN C C 13 176.097 0.3 . 1 . . . . 118 GLN C . 26672 1 503 . 1 1 118 118 GLN CA C 13 55.943 0.3 . 1 . . . . 118 GLN CA . 26672 1 504 . 1 1 118 118 GLN CB C 13 29.230 0.3 . 1 . . . . 118 GLN CB . 26672 1 505 . 1 1 118 118 GLN N N 15 121.864 0.3 . 1 . . . . 118 GLN N . 26672 1 506 . 1 1 119 119 SER H H 1 8.290 0.020 . 1 . . . . 119 SER H . 26672 1 507 . 1 1 119 119 SER C C 13 174.728 0.3 . 1 . . . . 119 SER C . 26672 1 508 . 1 1 119 119 SER CA C 13 58.339 0.3 . 1 . . . . 119 SER CA . 26672 1 509 . 1 1 119 119 SER CB C 13 63.740 0.3 . 1 . . . . 119 SER CB . 26672 1 510 . 1 1 119 119 SER N N 15 116.605 0.3 . 1 . . . . 119 SER N . 26672 1 511 . 1 1 120 120 SER H H 1 8.319 0.020 . 1 . . . . 120 SER H . 26672 1 512 . 1 1 120 120 SER C C 13 174.613 0.3 . 1 . . . . 120 SER C . 26672 1 513 . 1 1 120 120 SER CA C 13 58.492 0.3 . 1 . . . . 120 SER CA . 26672 1 514 . 1 1 120 120 SER CB C 13 63.705 0.3 . 1 . . . . 120 SER CB . 26672 1 515 . 1 1 120 120 SER N N 15 117.604 0.3 . 1 . . . . 120 SER N . 26672 1 516 . 1 1 121 121 SER H H 1 8.233 0.020 . 1 . . . . 121 SER H . 26672 1 517 . 1 1 121 121 SER C C 13 174.169 0.3 . 1 . . . . 121 SER C . 26672 1 518 . 1 1 121 121 SER CA C 13 58.297 0.3 . 1 . . . . 121 SER CA . 26672 1 519 . 1 1 121 121 SER CB C 13 63.667 0.3 . 1 . . . . 121 SER CB . 26672 1 520 . 1 1 121 121 SER N N 15 117.350 0.3 . 1 . . . . 121 SER N . 26672 1 521 . 1 1 122 122 TYR H H 1 8.075 0.020 . 1 . . . . 122 TYR H . 26672 1 522 . 1 1 122 122 TYR C C 13 176.292 0.3 . 1 . . . . 122 TYR C . 26672 1 523 . 1 1 122 122 TYR CA C 13 58.190 0.3 . 1 . . . . 122 TYR CA . 26672 1 524 . 1 1 122 122 TYR CB C 13 38.606 0.3 . 1 . . . . 122 TYR CB . 26672 1 525 . 1 1 122 122 TYR N N 15 121.931 0.3 . 1 . . . . 122 TYR N . 26672 1 526 . 1 1 123 123 GLY H H 1 8.212 0.020 . 1 . . . . 123 GLY H . 26672 1 527 . 1 1 123 123 GLY C C 13 173.620 0.3 . 1 . . . . 123 GLY C . 26672 1 528 . 1 1 123 123 GLY CA C 13 45.012 0.3 . 1 . . . . 123 GLY CA . 26672 1 529 . 1 1 123 123 GLY N N 15 110.638 0.3 . 1 . . . . 123 GLY N . 26672 1 530 . 1 1 124 124 GLN H H 1 8.056 0.020 . 1 . . . . 124 GLN H . 26672 1 531 . 1 1 124 124 GLN C C 13 174.133 0.3 . 1 . . . . 124 GLN C . 26672 1 532 . 1 1 124 124 GLN CA C 13 53.544 0.3 . 1 . . . . 124 GLN CA . 26672 1 533 . 1 1 124 124 GLN CB C 13 28.660 0.3 . 1 . . . . 124 GLN CB . 26672 1 534 . 1 1 124 124 GLN N N 15 120.462 0.3 . 1 . . . . 124 GLN N . 26672 1 535 . 1 1 126 126 GLN H H 1 8.544 0.020 . 1 . . . . 126 GLN H . 26672 1 536 . 1 1 126 126 GLN C C 13 176.150 0.3 . 1 . . . . 126 GLN C . 26672 1 537 . 1 1 126 126 GLN CA C 13 55.777 0.3 . 1 . . . . 126 GLN CA . 26672 1 538 . 1 1 126 126 GLN CB C 13 29.313 0.3 . 1 . . . . 126 GLN CB . 26672 1 539 . 1 1 126 126 GLN N N 15 120.695 0.3 . 1 . . . . 126 GLN N . 26672 1 540 . 1 1 127 127 SER H H 1 8.358 0.020 . 1 . . . . 127 SER H . 26672 1 541 . 1 1 127 127 SER C C 13 175.013 0.3 . 1 . . . . 127 SER C . 26672 1 542 . 1 1 127 127 SER CA C 13 58.362 0.3 . 1 . . . . 127 SER CA . 26672 1 543 . 1 1 127 127 SER CB C 13 63.775 0.3 . 1 . . . . 127 SER CB . 26672 1 544 . 1 1 127 127 SER N N 15 116.845 0.3 . 1 . . . . 127 SER N . 26672 1 545 . 1 1 128 128 GLY H H 1 8.407 0.020 . 1 . . . . 128 GLY H . 26672 1 546 . 1 1 128 128 GLY C C 13 174.080 0.3 . 1 . . . . 128 GLY C . 26672 1 547 . 1 1 128 128 GLY CA C 13 45.323 0.3 . 1 . . . . 128 GLY CA . 26672 1 548 . 1 1 128 128 GLY N N 15 110.744 0.3 . 1 . . . . 128 GLY N . 26672 1 549 . 1 1 129 129 SER H H 1 8.115 0.020 . 1 . . . . 129 SER H . 26672 1 550 . 1 1 129 129 SER C C 13 174.261 0.3 . 1 . . . . 129 SER C . 26672 1 551 . 1 1 129 129 SER CA C 13 58.211 0.3 . 1 . . . . 129 SER CA . 26672 1 552 . 1 1 129 129 SER CB C 13 63.735 0.3 . 1 . . . . 129 SER CB . 26672 1 553 . 1 1 129 129 SER N N 15 115.366 0.3 . 1 . . . . 129 SER N . 26672 1 554 . 1 1 131 131 SER H H 1 8.110 0.020 . 1 . . . . 131 SER H . 26672 1 555 . 1 1 131 131 SER C C 13 174.080 0.3 . 1 . . . . 131 SER C . 26672 1 556 . 1 1 131 131 SER CA C 13 58.081 0.3 . 1 . . . . 131 SER CA . 26672 1 557 . 1 1 131 131 SER CB C 13 63.741 0.3 . 1 . . . . 131 SER CB . 26672 1 558 . 1 1 131 131 SER N N 15 117.091 0.3 . 1 . . . . 131 SER N . 26672 1 559 . 1 1 132 132 GLN H H 1 8.236 0.020 . 1 . . . . 132 GLN H . 26672 1 560 . 1 1 132 132 GLN C C 13 175.590 0.3 . 1 . . . . 132 GLN C . 26672 1 561 . 1 1 132 132 GLN CA C 13 55.559 0.3 . 1 . . . . 132 GLN CA . 26672 1 562 . 1 1 132 132 GLN CB C 13 29.307 0.3 . 1 . . . . 132 GLN CB . 26672 1 563 . 1 1 132 132 GLN N N 15 121.868 0.3 . 1 . . . . 132 GLN N . 26672 1 564 . 1 1 133 133 GLN H H 1 8.310 0.020 . 1 . . . . 133 GLN H . 26672 1 565 . 1 1 133 133 GLN C C 13 173.982 0.3 . 1 . . . . 133 GLN C . 26672 1 566 . 1 1 133 133 GLN CA C 13 53.667 0.3 . 1 . . . . 133 GLN CA . 26672 1 567 . 1 1 133 133 GLN CB C 13 28.742 0.3 . 1 . . . . 133 GLN CB . 26672 1 568 . 1 1 133 133 GLN N N 15 122.487 0.3 . 1 . . . . 133 GLN N . 26672 1 569 . 1 1 135 135 SER H H 1 8.279 0.020 . 1 . . . . 135 SER H . 26672 1 570 . 1 1 135 135 SER C C 13 174.275 0.3 . 1 . . . . 135 SER C . 26672 1 571 . 1 1 135 135 SER CA C 13 58.037 0.3 . 1 . . . . 135 SER CA . 26672 1 572 . 1 1 135 135 SER CB C 13 63.735 0.3 . 1 . . . . 135 SER CB . 26672 1 573 . 1 1 135 135 SER N N 15 115.524 0.3 . 1 . . . . 135 SER N . 26672 1 574 . 1 1 136 136 TYR H H 1 8.180 0.020 . 1 . . . . 136 TYR H . 26672 1 575 . 1 1 136 136 TYR C C 13 176.319 0.3 . 1 . . . . 136 TYR C . 26672 1 576 . 1 1 136 136 TYR CA C 13 57.919 0.3 . 1 . . . . 136 TYR CA . 26672 1 577 . 1 1 136 136 TYR CB C 13 38.611 0.3 . 1 . . . . 136 TYR CB . 26672 1 578 . 1 1 136 136 TYR N N 15 122.063 0.3 . 1 . . . . 136 TYR N . 26672 1 579 . 1 1 137 137 GLY H H 1 8.330 0.020 . 1 . . . . 137 GLY H . 26672 1 580 . 1 1 137 137 GLY C C 13 174.643 0.3 . 1 . . . . 137 GLY C . 26672 1 581 . 1 1 137 137 GLY CA C 13 45.292 0.3 . 1 . . . . 137 GLY CA . 26672 1 582 . 1 1 137 137 GLY N N 15 110.805 0.3 . 1 . . . . 137 GLY N . 26672 1 583 . 1 1 138 138 GLY H H 1 7.937 0.020 . 1 . . . . 138 GLY H . 26672 1 584 . 1 1 138 138 GLY C C 13 174.145 0.3 . 1 . . . . 138 GLY C . 26672 1 585 . 1 1 138 138 GLY CA C 13 45.167 0.3 . 1 . . . . 138 GLY CA . 26672 1 586 . 1 1 138 138 GLY N N 15 108.240 0.3 . 1 . . . . 138 GLY N . 26672 1 587 . 1 1 139 139 GLN H H 1 8.261 0.020 . 1 . . . . 139 GLN H . 26672 1 588 . 1 1 139 139 GLN C C 13 176.159 0.3 . 1 . . . . 139 GLN C . 26672 1 589 . 1 1 139 139 GLN CA C 13 55.878 0.3 . 1 . . . . 139 GLN CA . 26672 1 590 . 1 1 139 139 GLN CB C 13 29.261 0.3 . 1 . . . . 139 GLN CB . 26672 1 591 . 1 1 139 139 GLN N N 15 119.666 0.3 . 1 . . . . 139 GLN N . 26672 1 592 . 1 1 140 140 GLN H H 1 8.461 0.020 . 1 . . . . 140 GLN H . 26672 1 593 . 1 1 140 140 GLN C C 13 175.972 0.3 . 1 . . . . 140 GLN C . 26672 1 594 . 1 1 140 140 GLN CA C 13 56.016 0.3 . 1 . . . . 140 GLN CA . 26672 1 595 . 1 1 140 140 GLN CB C 13 29.207 0.3 . 1 . . . . 140 GLN CB . 26672 1 596 . 1 1 140 140 GLN N N 15 121.518 0.3 . 1 . . . . 140 GLN N . 26672 1 597 . 1 1 141 141 GLN H H 1 8.397 0.020 . 1 . . . . 141 GLN H . 26672 1 598 . 1 1 141 141 GLN C C 13 175.772 0.3 . 1 . . . . 141 GLN C . 26672 1 599 . 1 1 141 141 GLN CA C 13 55.896 0.3 . 1 . . . . 141 GLN CA . 26672 1 600 . 1 1 141 141 GLN CB C 13 29.305 0.3 . 1 . . . . 141 GLN CB . 26672 1 601 . 1 1 141 141 GLN N N 15 121.499 0.3 . 1 . . . . 141 GLN N . 26672 1 602 . 1 1 142 142 SER H H 1 8.252 0.020 . 1 . . . . 142 SER H . 26672 1 603 . 1 1 142 142 SER C C 13 174.142 0.3 . 1 . . . . 142 SER C . 26672 1 604 . 1 1 142 142 SER CA C 13 58.065 0.3 . 1 . . . . 142 SER CA . 26672 1 605 . 1 1 142 142 SER CB C 13 63.763 0.3 . 1 . . . . 142 SER CB . 26672 1 606 . 1 1 142 142 SER N N 15 116.662 0.3 . 1 . . . . 142 SER N . 26672 1 607 . 1 1 143 143 TYR H H 1 8.220 0.020 . 1 . . . . 143 TYR H . 26672 1 608 . 1 1 143 143 TYR C C 13 176.408 0.3 . 1 . . . . 143 TYR C . 26672 1 609 . 1 1 143 143 TYR CA C 13 58.013 0.3 . 1 . . . . 143 TYR CA . 26672 1 610 . 1 1 143 143 TYR CB C 13 38.645 0.3 . 1 . . . . 143 TYR CB . 26672 1 611 . 1 1 143 143 TYR N N 15 122.109 0.3 . 1 . . . . 143 TYR N . 26672 1 612 . 1 1 144 144 GLY H H 1 8.304 0.020 . 1 . . . . 144 GLY H . 26672 1 613 . 1 1 144 144 GLY C C 13 174.133 0.3 . 1 . . . . 144 GLY C . 26672 1 614 . 1 1 144 144 GLY CA C 13 45.271 0.3 . 1 . . . . 144 GLY CA . 26672 1 615 . 1 1 144 144 GLY N N 15 110.237 0.3 . 1 . . . . 144 GLY N . 26672 1 616 . 1 1 145 145 GLN H H 1 8.167 0.020 . 1 . . . . 145 GLN H . 26672 1 617 . 1 1 145 145 GLN C C 13 176.128 0.3 . 1 . . . . 145 GLN C . 26672 1 618 . 1 1 145 145 GLN CA C 13 55.835 0.3 . 1 . . . . 145 GLN CA . 26672 1 619 . 1 1 145 145 GLN CB C 13 29.304 0.3 . 1 . . . . 145 GLN CB . 26672 1 620 . 1 1 145 145 GLN N N 15 119.724 0.3 . 1 . . . . 145 GLN N . 26672 1 621 . 1 1 146 146 GLN H H 1 8.443 0.020 . 1 . . . . 146 GLN H . 26672 1 622 . 1 1 146 146 GLN C C 13 175.998 0.3 . 1 . . . . 146 GLN C . 26672 1 623 . 1 1 146 146 GLN CA C 13 55.945 0.3 . 1 . . . . 146 GLN CA . 26672 1 624 . 1 1 146 146 GLN CB C 13 29.209 0.3 . 1 . . . . 146 GLN CB . 26672 1 625 . 1 1 146 146 GLN N N 15 121.352 0.3 . 1 . . . . 146 GLN N . 26672 1 626 . 1 1 147 147 GLN H H 1 8.407 0.020 . 1 . . . . 147 GLN H . 26672 1 627 . 1 1 147 147 GLN C C 13 175.790 0.3 . 1 . . . . 147 GLN C . 26672 1 628 . 1 1 147 147 GLN CA C 13 55.880 0.3 . 1 . . . . 147 GLN CA . 26672 1 629 . 1 1 147 147 GLN CB C 13 29.326 0.3 . 1 . . . . 147 GLN CB . 26672 1 630 . 1 1 147 147 GLN N N 15 121.436 0.3 . 1 . . . . 147 GLN N . 26672 1 631 . 1 1 148 148 SER H H 1 8.261 0.020 . 1 . . . . 148 SER H . 26672 1 632 . 1 1 148 148 SER C C 13 173.725 0.3 . 1 . . . . 148 SER C . 26672 1 633 . 1 1 148 148 SER CA C 13 58.099 0.3 . 1 . . . . 148 SER CA . 26672 1 634 . 1 1 148 148 SER CB C 13 63.752 0.3 . 1 . . . . 148 SER CB . 26672 1 635 . 1 1 148 148 SER N N 15 116.739 0.3 . 1 . . . . 148 SER N . 26672 1 636 . 1 1 149 149 TYR H H 1 8.191 0.020 . 1 . . . . 149 TYR H . 26672 1 637 . 1 1 149 149 TYR C C 13 174.694 0.3 . 1 . . . . 149 TYR C . 26672 1 638 . 1 1 149 149 TYR CA C 13 57.607 0.3 . 1 . . . . 149 TYR CA . 26672 1 639 . 1 1 149 149 TYR CB C 13 38.964 0.3 . 1 . . . . 149 TYR CB . 26672 1 640 . 1 1 149 149 TYR N N 15 122.372 0.3 . 1 . . . . 149 TYR N . 26672 1 641 . 1 1 150 150 ASN H H 1 8.211 0.020 . 1 . . . . 150 ASN H . 26672 1 642 . 1 1 150 150 ASN C C 13 178.220 0.3 . 1 . . . . 150 ASN C . 26672 1 643 . 1 1 150 150 ASN CA C 13 50.689 0.3 . 1 . . . . 150 ASN CA . 26672 1 644 . 1 1 150 150 ASN CB C 13 39.142 0.3 . 1 . . . . 150 ASN CB . 26672 1 645 . 1 1 150 150 ASN N N 15 123.162 0.3 . 1 . . . . 150 ASN N . 26672 1 646 . 1 1 153 153 GLN H H 1 8.438 0.020 . 1 . . . . 153 GLN H . 26672 1 647 . 1 1 153 153 GLN C C 13 176.496 0.3 . 1 . . . . 153 GLN C . 26672 1 648 . 1 1 153 153 GLN CA C 13 55.943 0.3 . 1 . . . . 153 GLN CA . 26672 1 649 . 1 1 153 153 GLN CB C 13 29.240 0.3 . 1 . . . . 153 GLN CB . 26672 1 650 . 1 1 153 153 GLN N N 15 120.034 0.3 . 1 . . . . 153 GLN N . 26672 1 651 . 1 1 154 154 GLY H H 1 8.341 0.020 . 1 . . . . 154 GLY H . 26672 1 652 . 1 1 154 154 GLY C C 13 173.781 0.3 . 1 . . . . 154 GLY C . 26672 1 653 . 1 1 154 154 GLY CA C 13 45.033 0.3 . 1 . . . . 154 GLY CA . 26672 1 654 . 1 1 154 154 GLY N N 15 110.005 0.3 . 1 . . . . 154 GLY N . 26672 1 655 . 1 1 155 155 TYR H H 1 8.099 0.020 . 1 . . . . 155 TYR H . 26672 1 656 . 1 1 155 155 TYR C C 13 176.532 0.3 . 1 . . . . 155 TYR C . 26672 1 657 . 1 1 155 155 TYR CA C 13 58.173 0.3 . 1 . . . . 155 TYR CA . 26672 1 658 . 1 1 155 155 TYR CB C 13 38.679 0.3 . 1 . . . . 155 TYR CB . 26672 1 659 . 1 1 155 155 TYR N N 15 120.027 0.3 . 1 . . . . 155 TYR N . 26672 1 660 . 1 1 156 156 GLY H H 1 8.379 0.020 . 1 . . . . 156 GLY H . 26672 1 661 . 1 1 156 156 GLY C C 13 174.113 0.3 . 1 . . . . 156 GLY C . 26672 1 662 . 1 1 156 156 GLY CA C 13 45.198 0.3 . 1 . . . . 156 GLY CA . 26672 1 663 . 1 1 156 156 GLY N N 15 110.881 0.3 . 1 . . . . 156 GLY N . 26672 1 664 . 1 1 157 157 GLN H H 1 8.164 0.020 . 1 . . . . 157 GLN H . 26672 1 665 . 1 1 157 157 GLN C C 13 176.110 0.3 . 1 . . . . 157 GLN C . 26672 1 666 . 1 1 157 157 GLN CA C 13 55.835 0.3 . 1 . . . . 157 GLN CA . 26672 1 667 . 1 1 157 157 GLN CB C 13 29.261 0.3 . 1 . . . . 157 GLN CB . 26672 1 668 . 1 1 157 157 GLN N N 15 119.642 0.3 . 1 . . . . 157 GLN N . 26672 1 669 . 1 1 158 158 GLN H H 1 8.466 0.020 . 1 . . . . 158 GLN H . 26672 1 670 . 1 1 158 158 GLN C C 13 175.723 0.3 . 1 . . . . 158 GLN C . 26672 1 671 . 1 1 158 158 GLN CA C 13 55.928 0.3 . 1 . . . . 158 GLN CA . 26672 1 672 . 1 1 158 158 GLN CB C 13 29.198 0.3 . 1 . . . . 158 GLN CB . 26672 1 673 . 1 1 158 158 GLN N N 15 121.080 0.3 . 1 . . . . 158 GLN N . 26672 1 674 . 1 1 159 159 ASN H H 1 8.445 0.020 . 1 . . . . 159 ASN H . 26672 1 675 . 1 1 159 159 ASN C C 13 174.977 0.3 . 1 . . . . 159 ASN C . 26672 1 676 . 1 1 159 159 ASN CA C 13 53.230 0.3 . 1 . . . . 159 ASN CA . 26672 1 677 . 1 1 159 159 ASN CB C 13 38.710 0.3 . 1 . . . . 159 ASN CB . 26672 1 678 . 1 1 159 159 ASN N N 15 119.561 0.3 . 1 . . . . 159 ASN N . 26672 1 679 . 1 1 160 160 GLN H H 1 8.284 0.020 . 1 . . . . 160 GLN H . 26672 1 680 . 1 1 160 160 GLN C C 13 175.484 0.3 . 1 . . . . 160 GLN C . 26672 1 681 . 1 1 160 160 GLN CA C 13 55.940 0.3 . 1 . . . . 160 GLN CA . 26672 1 682 . 1 1 160 160 GLN CB C 13 29.204 0.3 . 1 . . . . 160 GLN CB . 26672 1 683 . 1 1 160 160 GLN N N 15 120.191 0.3 . 1 . . . . 160 GLN N . 26672 1 684 . 1 1 161 161 TYR H H 1 8.189 0.020 . 1 . . . . 161 TYR H . 26672 1 685 . 1 1 161 161 TYR C C 13 175.454 0.3 . 1 . . . . 161 TYR C . 26672 1 686 . 1 1 161 161 TYR CA C 13 57.628 0.3 . 1 . . . . 161 TYR CA . 26672 1 687 . 1 1 161 161 TYR CB C 13 38.516 0.3 . 1 . . . . 161 TYR CB . 26672 1 688 . 1 1 161 161 TYR N N 15 120.535 0.3 . 1 . . . . 161 TYR N . 26672 1 689 . 1 1 162 162 ASN H H 1 8.278 0.020 . 1 . . . . 162 ASN H . 26672 1 690 . 1 1 162 162 ASN C C 13 174.080 0.3 . 1 . . . . 162 ASN C . 26672 1 691 . 1 1 162 162 ASN CA C 13 53.109 0.3 . 1 . . . . 162 ASN CA . 26672 1 692 . 1 1 162 162 ASN CB C 13 39.224 0.3 . 1 . . . . 162 ASN CB . 26672 1 693 . 1 1 162 162 ASN N N 15 120.533 0.3 . 1 . . . . 162 ASN N . 26672 1 694 . 1 1 163 163 SER H H 1 7.842 0.020 . 1 . . . . 163 SER H . 26672 1 695 . 1 1 163 163 SER C C 13 178.529 0.3 . 1 . . . . 163 SER C . 26672 1 696 . 1 1 163 163 SER CA C 13 59.967 0.3 . 1 . . . . 163 SER CA . 26672 1 697 . 1 1 163 163 SER CB C 13 64.805 0.3 . 1 . . . . 163 SER CB . 26672 1 698 . 1 1 163 163 SER N N 15 121.384 0.3 . 1 . . . . 163 SER N . 26672 1 stop_ save_