data_51620 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51620 _Entry.Title ; NMR assignment of NTD (44 - 180) of Nucleocapsid Protein of SARS-CoV-2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-09-09 _Entry.Accession_date 2022-09-09 _Entry.Last_release_date 2022-09-09 _Entry.Original_release_date 2022-09-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; NMR assignment of NTD (44 - 180) of Nucleocapsid Protein of SARS-CoV-2 in 25 mM potassium phosphate, 150 mM potassium chloride at pH 6.5 and 298 K ; _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 Marco Schiavina . . . . 51620 2 Giuseppe Tagliaferro . . . . 51620 3 Letizia Pontoriero . . . . 51620 4 Roberta Pierattelli . . . . 51620 5 'Isabella Caterina' Felli . . . . 51620 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'CERM, University of Florence' . 51620 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51620 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 423 51620 '15N chemical shifts' 145 51620 '1H chemical shifts' 134 51620 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 1 . . 2022-10-14 . original BMRB . 51620 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 34511 'The N-terminal RNA-binding domain of the SARS-CoV-2 nucleocapsid phosphoprotein' 51620 BMRB 50618 'IDR2-domain (176-248) of Nucleocapsid Protein of SARS-CoV 2 in the 1-248 construct' 51620 BMRB 50619 'IDR1-domain (1-47) of Nucleocapsid Protein of SARS-CoV 2 in the 1-248 construct' 51620 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51620 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36139141 _Citation.DOI 10.3390/biom12091302 _Citation.Full_citation . _Citation.Title ; The Role of Disordered Regions in Orchestrating the Properties of Multidomain Proteins: The SARS-CoV-2 Nucleocapsid Protein and Its Interaction with Enoxaparin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biomolecules _Citation.Journal_name_full Biomolecules _Citation.Journal_volume 12 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2218-273X _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 1302 _Citation.Page_last 1302 _Citation.Year 2022 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Marco Schiavina . . . . 51620 1 2 Letizia Pontoriero . . . . 51620 1 3 Giuseppe Tagliaferro . . . . 51620 1 4 Roberta Pierattelli . . . . 51620 1 5 'Isabella Caterina' Felli . . . . 51620 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Covid-19 51620 1 IDP 51620 1 NMR 51620 1 SARS-CoV-2 51620 1 enoxaparin 51620 1 'viral proteins' 51620 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51620 _Assembly.ID 1 _Assembly.Name 'NTD (44-180) of N protein from SARS-CoV-2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 14850 _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 NTD 1 $entity_1 . . yes native no no . . . 51620 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51620 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GLPNNTASWFTALTQHGKED LKFPRGQGVPINTNSSPDDQ IGYYRRATRRIRGGDGKMKD LSPRWYFYYLGTGPEAGLPY GANKDGIIWVATEGALNTPK DHIGTRNPANNAAIVLQLPQ GTTLPKGFYAEGSRGGS ; _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 137 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment NTD _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14850 _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 P0DTC9 . Nucleoprotein . . . . . . . . . . . . . . 51620 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 44 GLY . 51620 1 2 45 LEU . 51620 1 3 46 PRO . 51620 1 4 47 ASN . 51620 1 5 48 ASN . 51620 1 6 49 THR . 51620 1 7 50 ALA . 51620 1 8 51 SER . 51620 1 9 52 TRP . 51620 1 10 53 PHE . 51620 1 11 54 THR . 51620 1 12 55 ALA . 51620 1 13 56 LEU . 51620 1 14 57 THR . 51620 1 15 58 GLN . 51620 1 16 59 HIS . 51620 1 17 60 GLY . 51620 1 18 61 LYS . 51620 1 19 62 GLU . 51620 1 20 63 ASP . 51620 1 21 64 LEU . 51620 1 22 65 LYS . 51620 1 23 66 PHE . 51620 1 24 67 PRO . 51620 1 25 68 ARG . 51620 1 26 69 GLY . 51620 1 27 70 GLN . 51620 1 28 71 GLY . 51620 1 29 72 VAL . 51620 1 30 73 PRO . 51620 1 31 74 ILE . 51620 1 32 75 ASN . 51620 1 33 76 THR . 51620 1 34 77 ASN . 51620 1 35 78 SER . 51620 1 36 79 SER . 51620 1 37 80 PRO . 51620 1 38 81 ASP . 51620 1 39 82 ASP . 51620 1 40 83 GLN . 51620 1 41 84 ILE . 51620 1 42 85 GLY . 51620 1 43 86 TYR . 51620 1 44 87 TYR . 51620 1 45 88 ARG . 51620 1 46 89 ARG . 51620 1 47 90 ALA . 51620 1 48 91 THR . 51620 1 49 92 ARG . 51620 1 50 93 ARG . 51620 1 51 94 ILE . 51620 1 52 95 ARG . 51620 1 53 96 GLY . 51620 1 54 97 GLY . 51620 1 55 98 ASP . 51620 1 56 99 GLY . 51620 1 57 100 LYS . 51620 1 58 101 MET . 51620 1 59 102 LYS . 51620 1 60 103 ASP . 51620 1 61 104 LEU . 51620 1 62 105 SER . 51620 1 63 106 PRO . 51620 1 64 107 ARG . 51620 1 65 108 TRP . 51620 1 66 109 TYR . 51620 1 67 110 PHE . 51620 1 68 111 TYR . 51620 1 69 112 TYR . 51620 1 70 113 LEU . 51620 1 71 114 GLY . 51620 1 72 115 THR . 51620 1 73 116 GLY . 51620 1 74 117 PRO . 51620 1 75 118 GLU . 51620 1 76 119 ALA . 51620 1 77 120 GLY . 51620 1 78 121 LEU . 51620 1 79 122 PRO . 51620 1 80 123 TYR . 51620 1 81 124 GLY . 51620 1 82 125 ALA . 51620 1 83 126 ASN . 51620 1 84 127 LYS . 51620 1 85 128 ASP . 51620 1 86 129 GLY . 51620 1 87 130 ILE . 51620 1 88 131 ILE . 51620 1 89 132 TRP . 51620 1 90 133 VAL . 51620 1 91 134 ALA . 51620 1 92 135 THR . 51620 1 93 136 GLU . 51620 1 94 137 GLY . 51620 1 95 138 ALA . 51620 1 96 139 LEU . 51620 1 97 140 ASN . 51620 1 98 141 THR . 51620 1 99 142 PRO . 51620 1 100 143 LYS . 51620 1 101 144 ASP . 51620 1 102 145 HIS . 51620 1 103 146 ILE . 51620 1 104 147 GLY . 51620 1 105 148 THR . 51620 1 106 149 ARG . 51620 1 107 150 ASN . 51620 1 108 151 PRO . 51620 1 109 152 ALA . 51620 1 110 153 ASN . 51620 1 111 154 ASN . 51620 1 112 155 ALA . 51620 1 113 156 ALA . 51620 1 114 157 ILE . 51620 1 115 158 VAL . 51620 1 116 159 LEU . 51620 1 117 160 GLN . 51620 1 118 161 LEU . 51620 1 119 162 PRO . 51620 1 120 163 GLN . 51620 1 121 164 GLY . 51620 1 122 165 THR . 51620 1 123 166 THR . 51620 1 124 167 LEU . 51620 1 125 168 PRO . 51620 1 126 169 LYS . 51620 1 127 170 GLY . 51620 1 128 171 PHE . 51620 1 129 172 TYR . 51620 1 130 173 ALA . 51620 1 131 174 GLU . 51620 1 132 175 GLY . 51620 1 133 176 SER . 51620 1 134 177 ARG . 51620 1 135 178 GLY . 51620 1 136 179 GLY . 51620 1 137 180 SER . 51620 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 51620 1 . LEU 2 2 51620 1 . PRO 3 3 51620 1 . ASN 4 4 51620 1 . ASN 5 5 51620 1 . THR 6 6 51620 1 . ALA 7 7 51620 1 . SER 8 8 51620 1 . TRP 9 9 51620 1 . PHE 10 10 51620 1 . THR 11 11 51620 1 . ALA 12 12 51620 1 . LEU 13 13 51620 1 . THR 14 14 51620 1 . GLN 15 15 51620 1 . HIS 16 16 51620 1 . GLY 17 17 51620 1 . LYS 18 18 51620 1 . GLU 19 19 51620 1 . ASP 20 20 51620 1 . LEU 21 21 51620 1 . LYS 22 22 51620 1 . PHE 23 23 51620 1 . PRO 24 24 51620 1 . ARG 25 25 51620 1 . GLY 26 26 51620 1 . GLN 27 27 51620 1 . GLY 28 28 51620 1 . VAL 29 29 51620 1 . PRO 30 30 51620 1 . ILE 31 31 51620 1 . ASN 32 32 51620 1 . THR 33 33 51620 1 . ASN 34 34 51620 1 . SER 35 35 51620 1 . SER 36 36 51620 1 . PRO 37 37 51620 1 . ASP 38 38 51620 1 . ASP 39 39 51620 1 . GLN 40 40 51620 1 . ILE 41 41 51620 1 . GLY 42 42 51620 1 . TYR 43 43 51620 1 . TYR 44 44 51620 1 . ARG 45 45 51620 1 . ARG 46 46 51620 1 . ALA 47 47 51620 1 . THR 48 48 51620 1 . ARG 49 49 51620 1 . ARG 50 50 51620 1 . ILE 51 51 51620 1 . ARG 52 52 51620 1 . GLY 53 53 51620 1 . GLY 54 54 51620 1 . ASP 55 55 51620 1 . GLY 56 56 51620 1 . LYS 57 57 51620 1 . MET 58 58 51620 1 . LYS 59 59 51620 1 . ASP 60 60 51620 1 . LEU 61 61 51620 1 . SER 62 62 51620 1 . PRO 63 63 51620 1 . ARG 64 64 51620 1 . TRP 65 65 51620 1 . TYR 66 66 51620 1 . PHE 67 67 51620 1 . TYR 68 68 51620 1 . TYR 69 69 51620 1 . LEU 70 70 51620 1 . GLY 71 71 51620 1 . THR 72 72 51620 1 . GLY 73 73 51620 1 . PRO 74 74 51620 1 . GLU 75 75 51620 1 . ALA 76 76 51620 1 . GLY 77 77 51620 1 . LEU 78 78 51620 1 . PRO 79 79 51620 1 . TYR 80 80 51620 1 . GLY 81 81 51620 1 . ALA 82 82 51620 1 . ASN 83 83 51620 1 . LYS 84 84 51620 1 . ASP 85 85 51620 1 . GLY 86 86 51620 1 . ILE 87 87 51620 1 . ILE 88 88 51620 1 . TRP 89 89 51620 1 . VAL 90 90 51620 1 . ALA 91 91 51620 1 . THR 92 92 51620 1 . GLU 93 93 51620 1 . GLY 94 94 51620 1 . ALA 95 95 51620 1 . LEU 96 96 51620 1 . ASN 97 97 51620 1 . THR 98 98 51620 1 . PRO 99 99 51620 1 . LYS 100 100 51620 1 . ASP 101 101 51620 1 . HIS 102 102 51620 1 . ILE 103 103 51620 1 . GLY 104 104 51620 1 . THR 105 105 51620 1 . ARG 106 106 51620 1 . ASN 107 107 51620 1 . PRO 108 108 51620 1 . ALA 109 109 51620 1 . ASN 110 110 51620 1 . ASN 111 111 51620 1 . ALA 112 112 51620 1 . ALA 113 113 51620 1 . ILE 114 114 51620 1 . VAL 115 115 51620 1 . LEU 116 116 51620 1 . GLN 117 117 51620 1 . LEU 118 118 51620 1 . PRO 119 119 51620 1 . GLN 120 120 51620 1 . GLY 121 121 51620 1 . THR 122 122 51620 1 . THR 123 123 51620 1 . LEU 124 124 51620 1 . PRO 125 125 51620 1 . LYS 126 126 51620 1 . GLY 127 127 51620 1 . PHE 128 128 51620 1 . TYR 129 129 51620 1 . ALA 130 130 51620 1 . GLU 131 131 51620 1 . GLY 132 132 51620 1 . SER 133 133 51620 1 . ARG 134 134 51620 1 . GLY 135 135 51620 1 . GLY 136 136 51620 1 . SER 137 137 51620 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51620 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 2697049 organism . 'SARS coronavirus 2' SARS-CoV-2 . . Viruses . Betacoronavirus HCoV-SARS SARS-CoV-2 . . . . . . . . . . ORF9a . 51620 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51620 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . plasmid . . pET28a(+) . . . 51620 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51620 _Sample.ID 1 _Sample.Name 'NTD (44-180) of N protein from SARS-CoV-2' _Sample.Type solution _Sample.Sub_type . _Sample.Details ; N terminal domain from SARS-CoV-2 nucleocapsid protein (44-180 construct, NTD). 450 uM in 25 mM KPi, 150 mM KCl, 0.03% NaN3 pH 6.5 T= 298K ; _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'NTD (44-180) of N protein from SARS-CoV-2' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 450 . . uM . . . . 51620 1 2 KPi 'natural abundance' . . . . . . 25 . . mM . . . . 51620 1 3 KCl 'natural abundance' . . . . . . 150 . . mM . . . . 51620 1 4 NaN3 'natural abundance' . . . . . . 0.03 . . % . . . . 51620 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 51620 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'NTD (44-180) of N protein from SARS-CoV-2' _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' 170 . mM 51620 1 pH 6.5 . pH 51620 1 pressure 1 . atm 51620 1 temperature 298 . K 51620 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51620 _Software.ID 1 _Software.Type . _Software.Name XEASY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51620 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51620 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 950 _NMR_spectrometer.Details ; Bruker AVANCE III spectrometer operating at 950.20 MHz 1H, 238.93 MHz 13C and 96.28 15N MHz frequencies equipped with a cryogenically cooled probehead optimized for 1H-direct detection (TCI). ; _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51620 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51620 1 2 '2D 13C CACO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51620 1 3 '2D 13C CBCACO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51620 1 4 '2D 13C CON' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51620 1 5 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'Experiment centered on the Arginine side chain spectral region in the indirect dimension (15N centered at 80 ppm)' 51620 1 6 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51620 1 7 '3D 13C (H)CBCACON' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51620 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51620 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'DSS chemical shift reference' _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 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 51620 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51620 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51620 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51620 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'NTD (44-180) of N protein from SARS-CoV-2' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51620 1 2 '2D 13C CACO' . . . 51620 1 3 '2D 13C CBCACO' . . . 51620 1 4 '2D 13C CON' . . . 51620 1 5 '2D 1H-15N HSQC' . . . 51620 1 6 '3D HNCO' . . . 51620 1 7 '3D 13C (H)CBCACON' . . . 51620 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51620 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 1 1 GLY C C 13 173.631 . . . . . . . . 44 G C . 51620 1 2 . 1 . 1 1 1 GLY CA C 13 45.174 . . . . . . . . 44 G CA . 51620 1 3 . 1 . 1 2 2 LEU H H 1 8.146 . . . . . . . . 45 L HN . 51620 1 4 . 1 . 1 2 2 LEU C C 13 175.554 . . . . . . . . 45 L C . 51620 1 5 . 1 . 1 2 2 LEU CA C 13 53.303 . . . . . . . . 45 L CA . 51620 1 6 . 1 . 1 2 2 LEU CB C 13 41.453 . . . . . . . . 45 L CB . 51620 1 7 . 1 . 1 2 2 LEU N N 15 122.747 . . . . . . . . 45 L N . 51620 1 8 . 1 . 1 3 3 PRO C C 13 176.568 . . . . . . . . 46 P C . 51620 1 9 . 1 . 1 3 3 PRO CA C 13 63.109 . . . . . . . . 46 P CA . 51620 1 10 . 1 . 1 3 3 PRO CB C 13 31.848 . . . . . . . . 46 P CB . 51620 1 11 . 1 . 1 3 3 PRO N N 15 135.889 . . . . . . . . 46 P N . 51620 1 12 . 1 . 1 4 4 ASN H H 1 8.447 . . . . . . . . 47 N HN . 51620 1 13 . 1 . 1 4 4 ASN C C 13 175.017 . . . . . . . . 47 N C . 51620 1 14 . 1 . 1 4 4 ASN CA C 13 53.139 . . . . . . . . 47 N CA . 51620 1 15 . 1 . 1 4 4 ASN CB C 13 38.74 . . . . . . . . 47 N CB . 51620 1 16 . 1 . 1 4 4 ASN CG C 13 177.025 . . . . . . . . 47 N CG . 51620 1 17 . 1 . 1 4 4 ASN N N 15 118.277 . . . . . . . . 47 N N . 51620 1 18 . 1 . 1 5 5 ASN H H 1 8.304 . . . . . . . . 48 N HN . 51620 1 19 . 1 . 1 5 5 ASN C C 13 175.077 . . . . . . . . 48 N C . 51620 1 20 . 1 . 1 5 5 ASN CA C 13 52.962 . . . . . . . . 48 N CA . 51620 1 21 . 1 . 1 5 5 ASN CB C 13 38.264 . . . . . . . . 48 N CB . 51620 1 22 . 1 . 1 5 5 ASN CG C 13 177.306 . . . . . . . . 48 N CG . 51620 1 23 . 1 . 1 5 5 ASN N N 15 119.283 . . . . . . . . 48 N N . 51620 1 24 . 1 . 1 6 6 THR H H 1 7.822 . . . . . . . . 49 T HN . 51620 1 25 . 1 . 1 6 6 THR C C 13 173.807 . . . . . . . . 49 T C . 51620 1 26 . 1 . 1 6 6 THR CA C 13 60.808 . . . . . . . . 49 T CA . 51620 1 27 . 1 . 1 6 6 THR CB C 13 70.363 . . . . . . . . 49 T CB . 51620 1 28 . 1 . 1 6 6 THR N N 15 110.574 . . . . . . . . 49 T N . 51620 1 29 . 1 . 1 7 7 ALA H H 1 8.454 . . . . . . . . 50 A HN . 51620 1 30 . 1 . 1 7 7 ALA C C 13 176.292 . . . . . . . . 50 A C . 51620 1 31 . 1 . 1 7 7 ALA CA C 13 51.434 . . . . . . . . 50 A CA . 51620 1 32 . 1 . 1 7 7 ALA CB C 13 20.577 . . . . . . . . 50 A CB . 51620 1 33 . 1 . 1 7 7 ALA N N 15 126.546 . . . . . . . . 50 A N . 51620 1 34 . 1 . 1 8 8 SER H H 1 8.225 . . . . . . . . 51 S HN . 51620 1 35 . 1 . 1 8 8 SER C C 13 176.615 . . . . . . . . 51 S C . 51620 1 36 . 1 . 1 8 8 SER CA C 13 57.678 . . . . . . . . 51 S CA . 51620 1 37 . 1 . 1 8 8 SER CB C 13 63.339 . . . . . . . . 51 S CB . 51620 1 38 . 1 . 1 8 8 SER N N 15 113.573 . . . . . . . . 51 S N . 51620 1 39 . 1 . 1 9 9 TRP H H 1 10.118 . . . . . . . . 52 W HN . 51620 1 40 . 1 . 1 9 9 TRP C C 13 173.944 . . . . . . . . 52 W C . 51620 1 41 . 1 . 1 9 9 TRP CA C 13 61.192 . . . . . . . . 52 W CA . 51620 1 42 . 1 . 1 9 9 TRP CB C 13 29.906 . . . . . . . . 52 W CB . 51620 1 43 . 1 . 1 9 9 TRP N N 15 127.584 . . . . . . . . 52 W N . 51620 1 44 . 1 . 1 10 10 PHE H H 1 8.208 . . . . . . . . 53 F HN . 51620 1 45 . 1 . 1 10 10 PHE C C 13 177.857 . . . . . . . . 53 F C . 51620 1 46 . 1 . 1 10 10 PHE CA C 13 55.56 . . . . . . . . 53 F CA . 51620 1 47 . 1 . 1 10 10 PHE CB C 13 43.544 . . . . . . . . 53 F CB . 51620 1 48 . 1 . 1 10 10 PHE N N 15 113.757 . . . . . . . . 53 F N . 51620 1 49 . 1 . 1 11 11 THR H H 1 8.162 . . . . . . . . 54 T HN . 51620 1 50 . 1 . 1 11 11 THR C C 13 173.167 . . . . . . . . 54 T C . 51620 1 51 . 1 . 1 11 11 THR CA C 13 62.177 . . . . . . . . 54 T CA . 51620 1 52 . 1 . 1 11 11 THR CB C 13 70.067 . . . . . . . . 54 T CB . 51620 1 53 . 1 . 1 11 11 THR N N 15 111.683 . . . . . . . . 54 T N . 51620 1 54 . 1 . 1 12 12 ALA H H 1 8.257 . . . . . . . . 55 A HN . 51620 1 55 . 1 . 1 12 12 ALA C C 13 178.844 . . . . . . . . 55 A C . 51620 1 56 . 1 . 1 12 12 ALA CA C 13 51.746 . . . . . . . . 55 A CA . 51620 1 57 . 1 . 1 12 12 ALA CB C 13 20.268 . . . . . . . . 55 A CB . 51620 1 58 . 1 . 1 12 12 ALA N N 15 118.293 . . . . . . . . 55 A N . 51620 1 59 . 1 . 1 13 13 LEU H H 1 8.621 . . . . . . . . 56 L HN . 51620 1 60 . 1 . 1 13 13 LEU C C 13 176.781 . . . . . . . . 56 L C . 51620 1 61 . 1 . 1 13 13 LEU CA C 13 53.764 . . . . . . . . 56 L CA . 51620 1 62 . 1 . 1 13 13 LEU CB C 13 44.291 . . . . . . . . 56 L CB . 51620 1 63 . 1 . 1 13 13 LEU N N 15 117.58 . . . . . . . . 56 L N . 51620 1 64 . 1 . 1 14 14 THR H H 1 9.322 . . . . . . . . 57 T HN . 51620 1 65 . 1 . 1 14 14 THR C C 13 172.485 . . . . . . . . 57 T C . 51620 1 66 . 1 . 1 14 14 THR CA C 13 62.658 . . . . . . . . 57 T CA . 51620 1 67 . 1 . 1 14 14 THR CB C 13 69.205 . . . . . . . . 57 T CB . 51620 1 68 . 1 . 1 14 14 THR N N 15 121.293 . . . . . . . . 57 T N . 51620 1 69 . 1 . 1 15 15 GLN H H 1 8.625 . . . . . . . . 58 Q HN . 51620 1 70 . 1 . 1 15 15 GLN C C 13 174.000 . . . . . . . . 58 Q C . 51620 1 71 . 1 . 1 15 15 GLN CA C 13 54.098 . . . . . . . . 58 Q CA . 51620 1 72 . 1 . 1 15 15 GLN CB C 13 30.103 . . . . . . . . 58 Q CB . 51620 1 73 . 1 . 1 15 15 GLN N N 15 126.71 . . . . . . . . 58 Q N . 51620 1 74 . 1 . 1 16 16 HIS H H 1 8.341 . . . . . . . . 59 H HN . 51620 1 75 . 1 . 1 16 16 HIS C C 13 176.2 . . . . . . . . 59 H C . 51620 1 76 . 1 . 1 16 16 HIS CA C 13 56.051 . . . . . . . . 59 H CA . 51620 1 77 . 1 . 1 16 16 HIS CB C 13 30.629 . . . . . . . . 59 H CB . 51620 1 78 . 1 . 1 16 16 HIS N N 15 123.914 . . . . . . . . 59 H N . 51620 1 79 . 1 . 1 17 17 GLY H H 1 7.729 . . . . . . . . 60 G HN . 51620 1 80 . 1 . 1 17 17 GLY C C 13 174.125 . . . . . . . . 60 G C . 51620 1 81 . 1 . 1 17 17 GLY CA C 13 44.309 . . . . . . . . 60 G CA . 51620 1 82 . 1 . 1 17 17 GLY N N 15 108.216 . . . . . . . . 60 G N . 51620 1 83 . 1 . 1 18 18 LYS H H 1 8.475 . . . . . . . . 61 K HN . 51620 1 84 . 1 . 1 18 18 LYS C C 13 177.112 . . . . . . . . 61 K C . 51620 1 85 . 1 . 1 18 18 LYS CA C 13 56.189 . . . . . . . . 61 K CA . 51620 1 86 . 1 . 1 18 18 LYS CB C 13 33.098 . . . . . . . . 61 K CB . 51620 1 87 . 1 . 1 18 18 LYS N N 15 117.4 . . . . . . . . 61 K N . 51620 1 88 . 1 . 1 19 19 GLU H H 1 7.964 . . . . . . . . 62 E HN . 51620 1 89 . 1 . 1 19 19 GLU C C 13 175.603 . . . . . . . . 62 E C . 51620 1 90 . 1 . 1 19 19 GLU CA C 13 56.207 . . . . . . . . 62 E CA . 51620 1 91 . 1 . 1 19 19 GLU CB C 13 30.478 . . . . . . . . 62 E CB . 51620 1 92 . 1 . 1 19 19 GLU CG C 13 36.314 . . . . . . . . 62 E CG . 51620 1 93 . 1 . 1 19 19 GLU CD C 13 183.928 . . . . . . . . 62 E CD . 51620 1 94 . 1 . 1 19 19 GLU N N 15 120.353 . . . . . . . . 62 E N . 51620 1 95 . 1 . 1 20 20 ASP H H 1 8.299 . . . . . . . . 63 D HN . 51620 1 96 . 1 . 1 20 20 ASP C C 13 175.488 . . . . . . . . 63 D C . 51620 1 97 . 1 . 1 20 20 ASP CA C 13 54.012 . . . . . . . . 63 D CA . 51620 1 98 . 1 . 1 20 20 ASP CB C 13 41.465 . . . . . . . . 63 D CB . 51620 1 99 . 1 . 1 20 20 ASP CG C 13 179.336 . . . . . . . . 63 D CG . 51620 1 100 . 1 . 1 20 20 ASP N N 15 119.674 . . . . . . . . 63 D N . 51620 1 101 . 1 . 1 21 21 LEU H H 1 5.593 . . . . . . . . 64 L HN . 51620 1 102 . 1 . 1 21 21 LEU C C 13 172.928 . . . . . . . . 64 L C . 51620 1 103 . 1 . 1 21 21 LEU CA C 13 54.596 . . . . . . . . 64 L CA . 51620 1 104 . 1 . 1 21 21 LEU CB C 13 39.369 . . . . . . . . 64 L CB . 51620 1 105 . 1 . 1 21 21 LEU N N 15 120.725 . . . . . . . . 64 L N . 51620 1 106 . 1 . 1 22 22 LYS H H 1 5.86 . . . . . . . . 65 K HN . 51620 1 107 . 1 . 1 22 22 LYS C C 13 173.65 . . . . . . . . 65 K C . 51620 1 108 . 1 . 1 22 22 LYS CA C 13 55.528 . . . . . . . . 65 K CA . 51620 1 109 . 1 . 1 22 22 LYS CB C 13 34.944 . . . . . . . . 65 K CB . 51620 1 110 . 1 . 1 22 22 LYS N N 15 119.583 . . . . . . . . 65 K N . 51620 1 111 . 1 . 1 23 23 PHE H H 1 8.138 . . . . . . . . 66 F HN . 51620 1 112 . 1 . 1 23 23 PHE C C 13 173.712 . . . . . . . . 66 F C . 51620 1 113 . 1 . 1 23 23 PHE CA C 13 55.873 . . . . . . . . 66 F CA . 51620 1 114 . 1 . 1 23 23 PHE CB C 13 42.759 . . . . . . . . 66 F CB . 51620 1 115 . 1 . 1 23 23 PHE N N 15 118.414 . . . . . . . . 66 F N . 51620 1 116 . 1 . 1 24 24 PRO C C 13 175.366 . . . . . . . . 67 P C . 51620 1 117 . 1 . 1 24 24 PRO CA C 13 61.995 . . . . . . . . 67 P CA . 51620 1 118 . 1 . 1 24 24 PRO CB C 13 32.456 . . . . . . . . 67 P CB . 51620 1 119 . 1 . 1 24 24 PRO N N 15 135.501 . . . . . . . . 67 P N . 51620 1 120 . 1 . 1 25 25 ARG H H 1 8.42 . . . . . . . . 68 R HN . 51620 1 121 . 1 . 1 25 25 ARG HE H 1 7.37 . . . . . . . . 68 R HE . 51620 1 122 . 1 . 1 25 25 ARG C C 13 177.615 . . . . . . . . 68 R C . 51620 1 123 . 1 . 1 25 25 ARG CA C 13 58.203 . . . . . . . . 68 R CA . 51620 1 124 . 1 . 1 25 25 ARG CB C 13 29.874 . . . . . . . . 68 R CB . 51620 1 125 . 1 . 1 25 25 ARG N N 15 121.421 . . . . . . . . 68 R N . 51620 1 126 . 1 . 1 25 25 ARG NE N 15 85.04 . . . . . . . . 68 R NE . 51620 1 127 . 1 . 1 26 26 GLY H H 1 8.946 . . . . . . . . 69 G HN . 51620 1 128 . 1 . 1 26 26 GLY C C 13 174.78 . . . . . . . . 69 G C . 51620 1 129 . 1 . 1 26 26 GLY CA C 13 45.081 . . . . . . . . 69 G CA . 51620 1 130 . 1 . 1 26 26 GLY N N 15 115.434 . . . . . . . . 69 G N . 51620 1 131 . 1 . 1 27 27 GLN H H 1 8.13 . . . . . . . . 70 Q HN . 51620 1 132 . 1 . 1 27 27 GLN C C 13 175.869 . . . . . . . . 70 Q C . 51620 1 133 . 1 . 1 27 27 GLN CA C 13 54.62 . . . . . . . . 70 Q CA . 51620 1 134 . 1 . 1 27 27 GLN CB C 13 31.637 . . . . . . . . 70 Q CB . 51620 1 135 . 1 . 1 27 27 GLN CG C 13 33.424 . . . . . . . . 70 Q CG . 51620 1 136 . 1 . 1 27 27 GLN CD C 13 178.77 . . . . . . . . 70 Q CD . 51620 1 137 . 1 . 1 27 27 GLN N N 15 119.312 . . . . . . . . 70 Q N . 51620 1 138 . 1 . 1 28 28 GLY H H 1 8.355 . . . . . . . . 71 G HN . 51620 1 139 . 1 . 1 28 28 GLY C C 13 172.353 . . . . . . . . 71 G C . 51620 1 140 . 1 . 1 28 28 GLY CA C 13 43.498 . . . . . . . . 71 G CA . 51620 1 141 . 1 . 1 28 28 GLY N N 15 102.395 . . . . . . . . 71 G N . 51620 1 142 . 1 . 1 29 29 VAL H H 1 7.364 . . . . . . . . 72 V HN . 51620 1 143 . 1 . 1 29 29 VAL C C 13 173.594 . . . . . . . . 72 V C . 51620 1 144 . 1 . 1 29 29 VAL CA C 13 60.13 . . . . . . . . 72 V CA . 51620 1 145 . 1 . 1 29 29 VAL CB C 13 31.054 . . . . . . . . 72 V CB . 51620 1 146 . 1 . 1 29 29 VAL N N 15 122.648 . . . . . . . . 72 V N . 51620 1 147 . 1 . 1 30 30 PRO C C 13 175.211 . . . . . . . . 73 P C . 51620 1 148 . 1 . 1 30 30 PRO CA C 13 61.83 . . . . . . . . 73 P CA . 51620 1 149 . 1 . 1 30 30 PRO CB C 13 32.198 . . . . . . . . 73 P CB . 51620 1 150 . 1 . 1 30 30 PRO N N 15 140.306 . . . . . . . . 73 P N . 51620 1 151 . 1 . 1 31 31 ILE H H 1 7.934 . . . . . . . . 74 I HN . 51620 1 152 . 1 . 1 31 31 ILE C C 13 176.935 . . . . . . . . 74 I C . 51620 1 153 . 1 . 1 31 31 ILE CA C 13 62.069 . . . . . . . . 74 I CA . 51620 1 154 . 1 . 1 31 31 ILE CB C 13 38.634 . . . . . . . . 74 I CB . 51620 1 155 . 1 . 1 31 31 ILE N N 15 118.669 . . . . . . . . 74 I N . 51620 1 156 . 1 . 1 32 32 ASN H H 1 8.819 . . . . . . . . 75 N HN . 51620 1 157 . 1 . 1 32 32 ASN C C 13 176.847 . . . . . . . . 75 N C . 51620 1 158 . 1 . 1 32 32 ASN CA C 13 51.434 . . . . . . . . 75 N CA . 51620 1 159 . 1 . 1 32 32 ASN CB C 13 39.093 . . . . . . . . 75 N CB . 51620 1 160 . 1 . 1 32 32 ASN CG C 13 177.294 . . . . . . . . 75 N CG . 51620 1 161 . 1 . 1 32 32 ASN N N 15 123.965 . . . . . . . . 75 N N . 51620 1 162 . 1 . 1 33 33 THR H H 1 9.182 . . . . . . . . 76 T HN . 51620 1 163 . 1 . 1 33 33 THR C C 13 174.82 . . . . . . . . 76 T C . 51620 1 164 . 1 . 1 33 33 THR CA C 13 64.544 . . . . . . . . 76 T CA . 51620 1 165 . 1 . 1 33 33 THR CB C 13 68.301 . . . . . . . . 76 T CB . 51620 1 166 . 1 . 1 33 33 THR N N 15 119.985 . . . . . . . . 76 T N . 51620 1 167 . 1 . 1 34 34 ASN H H 1 7.714 . . . . . . . . 77 N HN . 51620 1 168 . 1 . 1 34 34 ASN C C 13 173.518 . . . . . . . . 77 N C . 51620 1 169 . 1 . 1 34 34 ASN CA C 13 52.759 . . . . . . . . 77 N CA . 51620 1 170 . 1 . 1 34 34 ASN CB C 13 38.095 . . . . . . . . 77 N CB . 51620 1 171 . 1 . 1 34 34 ASN CG C 13 177.688 . . . . . . . . 77 N CG . 51620 1 172 . 1 . 1 34 34 ASN N N 15 119.108 . . . . . . . . 77 N N . 51620 1 173 . 1 . 1 35 35 SER H H 1 7.611 . . . . . . . . 78 S HN . 51620 1 174 . 1 . 1 35 35 SER C C 13 172.477 . . . . . . . . 78 S C . 51620 1 175 . 1 . 1 35 35 SER CA C 13 57.6 . . . . . . . . 78 S CA . 51620 1 176 . 1 . 1 35 35 SER CB C 13 65.981 . . . . . . . . 78 S CB . 51620 1 177 . 1 . 1 35 35 SER N N 15 113.113 . . . . . . . . 78 S N . 51620 1 178 . 1 . 1 36 36 SER H H 1 9.555 . . . . . . . . 79 S HN . 51620 1 179 . 1 . 1 36 36 SER C C 13 175.28 . . . . . . . . 79 S C . 51620 1 180 . 1 . 1 36 36 SER CA C 13 56.63 . . . . . . . . 79 S CA . 51620 1 181 . 1 . 1 36 36 SER CB C 13 64.254 . . . . . . . . 79 S CB . 51620 1 182 . 1 . 1 36 36 SER N N 15 119.084 . . . . . . . . 79 S N . 51620 1 183 . 1 . 1 37 37 PRO C C 13 178.305 . . . . . . . . 80 P C . 51620 1 184 . 1 . 1 37 37 PRO CA C 13 66.416 . . . . . . . . 80 P CA . 51620 1 185 . 1 . 1 37 37 PRO CB C 13 31.64 . . . . . . . . 80 P CB . 51620 1 186 . 1 . 1 37 37 PRO N N 15 140.431 . . . . . . . . 80 P N . 51620 1 187 . 1 . 1 38 38 ASP H H 1 8.084 . . . . . . . . 81 D HN . 51620 1 188 . 1 . 1 38 38 ASP C C 13 177.602 . . . . . . . . 81 D C . 51620 1 189 . 1 . 1 38 38 ASP CA C 13 56.524 . . . . . . . . 81 D CA . 51620 1 190 . 1 . 1 38 38 ASP CB C 13 41.202 . . . . . . . . 81 D CB . 51620 1 191 . 1 . 1 38 38 ASP CG C 13 178.523 . . . . . . . . 81 D CG . 51620 1 192 . 1 . 1 38 38 ASP N N 15 115.07 . . . . . . . . 81 D N . 51620 1 193 . 1 . 1 39 39 ASP H H 1 8.012 . . . . . . . . 82 D HN . 51620 1 194 . 1 . 1 39 39 ASP C C 13 176.68 . . . . . . . . 82 D C . 51620 1 195 . 1 . 1 39 39 ASP CA C 13 55.501 . . . . . . . . 82 D CA . 51620 1 196 . 1 . 1 39 39 ASP CB C 13 43.000 . . . . . . . . 82 D CB . 51620 1 197 . 1 . 1 39 39 ASP CG C 13 179.177 . . . . . . . . 82 D CG . 51620 1 198 . 1 . 1 39 39 ASP N N 15 114.604 . . . . . . . . 82 D N . 51620 1 199 . 1 . 1 40 40 GLN H H 1 6.798 . . . . . . . . 83 Q HN . 51620 1 200 . 1 . 1 40 40 GLN C C 13 172.083 . . . . . . . . 83 Q C . 51620 1 201 . 1 . 1 40 40 GLN CA C 13 55.027 . . . . . . . . 83 Q CA . 51620 1 202 . 1 . 1 40 40 GLN CB C 13 25.95 . . . . . . . . 83 Q CB . 51620 1 203 . 1 . 1 40 40 GLN CG C 13 32.436 . . . . . . . . 83 Q CG . 51620 1 204 . 1 . 1 40 40 GLN CD C 13 180.376 . . . . . . . . 83 Q CD . 51620 1 205 . 1 . 1 40 40 GLN N N 15 113.855 . . . . . . . . 83 Q N . 51620 1 206 . 1 . 1 41 41 ILE H H 1 9.165 . . . . . . . . 84 I HN . 51620 1 207 . 1 . 1 41 41 ILE C C 13 174.673 . . . . . . . . 84 I C . 51620 1 208 . 1 . 1 41 41 ILE CA C 13 59.915 . . . . . . . . 84 I CA . 51620 1 209 . 1 . 1 41 41 ILE CB C 13 39.105 . . . . . . . . 84 I CB . 51620 1 210 . 1 . 1 41 41 ILE N N 15 122.794 . . . . . . . . 84 I N . 51620 1 211 . 1 . 1 42 42 GLY H H 1 9.652 . . . . . . . . 85 G HN . 51620 1 212 . 1 . 1 42 42 GLY C C 13 168.708 . . . . . . . . 85 G C . 51620 1 213 . 1 . 1 42 42 GLY CA C 13 47.352 . . . . . . . . 85 G CA . 51620 1 214 . 1 . 1 42 42 GLY N N 15 113.195 . . . . . . . . 85 G N . 51620 1 215 . 1 . 1 43 43 TYR H H 1 8.436 . . . . . . . . 86 Y HN . 51620 1 216 . 1 . 1 43 43 TYR C C 13 173.67 . . . . . . . . 86 Y C . 51620 1 217 . 1 . 1 43 43 TYR CA C 13 53.868 . . . . . . . . 86 Y CA . 51620 1 218 . 1 . 1 43 43 TYR CB C 13 39.626 . . . . . . . . 86 Y CB . 51620 1 219 . 1 . 1 43 43 TYR N N 15 116.863 . . . . . . . . 86 Y N . 51620 1 220 . 1 . 1 44 44 TYR H H 1 9.154 . . . . . . . . 87 Y HN . 51620 1 221 . 1 . 1 44 44 TYR C C 13 175.932 . . . . . . . . 87 Y C . 51620 1 222 . 1 . 1 44 44 TYR CA C 13 57.009 . . . . . . . . 87 Y CA . 51620 1 223 . 1 . 1 44 44 TYR CB C 13 42.512 . . . . . . . . 87 Y CB . 51620 1 224 . 1 . 1 44 44 TYR N N 15 115.465 . . . . . . . . 87 Y N . 51620 1 225 . 1 . 1 45 45 ARG H H 1 9.73 . . . . . . . . 88 R HN . 51620 1 226 . 1 . 1 45 45 ARG HE H 1 8.4 . . . . . . . . 88 R HE . 51620 1 227 . 1 . 1 45 45 ARG C C 13 176.009 . . . . . . . . 88 R C . 51620 1 228 . 1 . 1 45 45 ARG CA C 13 53.263 . . . . . . . . 88 R CA . 51620 1 229 . 1 . 1 45 45 ARG CB C 13 34.491 . . . . . . . . 88 R CB . 51620 1 230 . 1 . 1 45 45 ARG N N 15 121.46 . . . . . . . . 88 R N . 51620 1 231 . 1 . 1 45 45 ARG NE N 15 85.04 . . . . . . . . 88 R NE . 51620 1 232 . 1 . 1 46 46 ARG H H 1 8.735 . . . . . . . . 89 R HN . 51620 1 233 . 1 . 1 46 46 ARG HE H 1 6.97 . . . . . . . . 89 R HE . 51620 1 234 . 1 . 1 46 46 ARG C C 13 174.818 . . . . . . . . 89 R C . 51620 1 235 . 1 . 1 46 46 ARG CA C 13 56.175 . . . . . . . . 89 R CA . 51620 1 236 . 1 . 1 46 46 ARG CB C 13 29.578 . . . . . . . . 89 R CB . 51620 1 237 . 1 . 1 46 46 ARG N N 15 132.172 . . . . . . . . 89 R N . 51620 1 238 . 1 . 1 46 46 ARG NE N 15 83.62 . . . . . . . . 89 R NE . 51620 1 239 . 1 . 1 47 47 ALA H H 1 9.501 . . . . . . . . 90 A HN . 51620 1 240 . 1 . 1 47 47 ALA C C 13 177.166 . . . . . . . . 90 A C . 51620 1 241 . 1 . 1 47 47 ALA CA C 13 51.559 . . . . . . . . 90 A CA . 51620 1 242 . 1 . 1 47 47 ALA CB C 13 20.824 . . . . . . . . 90 A CB . 51620 1 243 . 1 . 1 47 47 ALA N N 15 131.595 . . . . . . . . 90 A N . 51620 1 244 . 1 . 1 48 48 THR H H 1 8.373 . . . . . . . . 91 T HN . 51620 1 245 . 1 . 1 48 48 THR C C 13 174.268 . . . . . . . . 91 T C . 51620 1 246 . 1 . 1 48 48 THR CA C 13 61.333 . . . . . . . . 91 T CA . 51620 1 247 . 1 . 1 48 48 THR CB C 13 70.091 . . . . . . . . 91 T CB . 51620 1 248 . 1 . 1 48 48 THR N N 15 116.219 . . . . . . . . 91 T N . 51620 1 249 . 1 . 1 49 49 ARG H H 1 8.743 . . . . . . . . 92 R HN . 51620 1 250 . 1 . 1 49 49 ARG HE H 1 7.227 . . . . . . . . 92 R HE . 51620 1 251 . 1 . 1 49 49 ARG C C 13 174.44 . . . . . . . . 92 R C . 51620 1 252 . 1 . 1 49 49 ARG CA C 13 55.622 . . . . . . . . 92 R CA . 51620 1 253 . 1 . 1 49 49 ARG CB C 13 32.69 . . . . . . . . 92 R CB . 51620 1 254 . 1 . 1 49 49 ARG N N 15 124.107 . . . . . . . . 92 R N . 51620 1 255 . 1 . 1 49 49 ARG NE N 15 84.337 . . . . . . . . 92 R NE . 51620 1 256 . 1 . 1 50 50 ARG H H 1 8.402 . . . . . . . . 93 R HN . 51620 1 257 . 1 . 1 50 50 ARG HE H 1 7.41 . . . . . . . . 93 R HE . 51620 1 258 . 1 . 1 50 50 ARG C C 13 175.661 . . . . . . . . 93 R C . 51620 1 259 . 1 . 1 50 50 ARG CA C 13 55.123 . . . . . . . . 93 R CA . 51620 1 260 . 1 . 1 50 50 ARG CB C 13 32.436 . . . . . . . . 93 R CB . 51620 1 261 . 1 . 1 50 50 ARG N N 15 122.978 . . . . . . . . 93 R N . 51620 1 262 . 1 . 1 50 50 ARG NE N 15 85.04 . . . . . . . . 93 R NE . 51620 1 263 . 1 . 1 51 51 ILE H H 1 8.614 . . . . . . . . 94 I HN . 51620 1 264 . 1 . 1 51 51 ILE C C 13 174.421 . . . . . . . . 94 I C . 51620 1 265 . 1 . 1 51 51 ILE CA C 13 59.62 . . . . . . . . 94 I CA . 51620 1 266 . 1 . 1 51 51 ILE CB C 13 41.412 . . . . . . . . 94 I CB . 51620 1 267 . 1 . 1 51 51 ILE N N 15 120.518 . . . . . . . . 94 I N . 51620 1 268 . 1 . 1 52 52 ARG H H 1 8.503 . . . . . . . . 95 R HN . 51620 1 269 . 1 . 1 52 52 ARG HE H 1 7.26 . . . . . . . . 95 R HE . 51620 1 270 . 1 . 1 52 52 ARG C C 13 176.965 . . . . . . . . 95 R C . 51620 1 271 . 1 . 1 52 52 ARG CA C 13 56.175 . . . . . . . . 95 R CA . 51620 1 272 . 1 . 1 52 52 ARG CB C 13 30.633 . . . . . . . . 95 R CB . 51620 1 273 . 1 . 1 52 52 ARG N N 15 124.935 . . . . . . . . 95 R N . 51620 1 274 . 1 . 1 52 52 ARG NE N 15 84.53 . . . . . . . . 95 R NE . 51620 1 275 . 1 . 1 53 53 GLY H H 1 8.666 . . . . . . . . 96 G HN . 51620 1 276 . 1 . 1 53 53 GLY C C 13 175.477 . . . . . . . . 96 G C . 51620 1 277 . 1 . 1 53 53 GLY CA C 13 44.586 . . . . . . . . 96 G CA . 51620 1 278 . 1 . 1 53 53 GLY N N 15 112.835 . . . . . . . . 96 G N . 51620 1 279 . 1 . 1 54 54 GLY H H 1 8.709 . . . . . . . . 97 G HN . 51620 1 280 . 1 . 1 54 54 GLY C C 13 174.236 . . . . . . . . 97 G C . 51620 1 281 . 1 . 1 54 54 GLY CA C 13 46.481 . . . . . . . . 97 G CA . 51620 1 282 . 1 . 1 54 54 GLY N N 15 109.063 . . . . . . . . 97 G N . 51620 1 283 . 1 . 1 55 55 ASP H H 1 8.125 . . . . . . . . 98 D HN . 51620 1 284 . 1 . 1 55 55 ASP C C 13 177.053 . . . . . . . . 98 D C . 51620 1 285 . 1 . 1 55 55 ASP CA C 13 53.113 . . . . . . . . 98 D CA . 51620 1 286 . 1 . 1 55 55 ASP CB C 13 40.222 . . . . . . . . 98 D CB . 51620 1 287 . 1 . 1 55 55 ASP CG C 13 180.148 . . . . . . . . 98 D CG . 51620 1 288 . 1 . 1 55 55 ASP N N 15 118.126 . . . . . . . . 98 D N . 51620 1 289 . 1 . 1 56 56 GLY H H 1 8.185 . . . . . . . . 99 G HN . 51620 1 290 . 1 . 1 56 56 GLY C C 13 174.116 . . . . . . . . 99 G C . 51620 1 291 . 1 . 1 56 56 GLY CA C 13 45.303 . . . . . . . . 99 G CA . 51620 1 292 . 1 . 1 56 56 GLY N N 15 107.935 . . . . . . . . 99 G N . 51620 1 293 . 1 . 1 57 57 LYS H H 1 7.919 . . . . . . . . 100 K HN . 51620 1 294 . 1 . 1 57 57 LYS C C 13 177.006 . . . . . . . . 100 K C . 51620 1 295 . 1 . 1 57 57 LYS CA C 13 55.723 . . . . . . . . 100 K CA . 51620 1 296 . 1 . 1 57 57 LYS CB C 13 32.931 . . . . . . . . 100 K CB . 51620 1 297 . 1 . 1 57 57 LYS N N 15 120.56 . . . . . . . . 100 K N . 51620 1 298 . 1 . 1 58 58 MET H H 1 8.601 . . . . . . . . 101 M HN . 51620 1 299 . 1 . 1 58 58 MET C C 13 176.328 . . . . . . . . 101 M C . 51620 1 300 . 1 . 1 58 58 MET CA C 13 54.752 . . . . . . . . 101 M CA . 51620 1 301 . 1 . 1 58 58 MET CB C 13 31.684 . . . . . . . . 101 M CB . 51620 1 302 . 1 . 1 58 58 MET N N 15 121.454 . . . . . . . . 101 M N . 51620 1 303 . 1 . 1 59 59 LYS H H 1 8.914 . . . . . . . . 102 K HN . 51620 1 304 . 1 . 1 59 59 LYS C C 13 175.065 . . . . . . . . 102 K C . 51620 1 305 . 1 . 1 59 59 LYS CA C 13 55.164 . . . . . . . . 102 K CA . 51620 1 306 . 1 . 1 59 59 LYS CB C 13 34.405 . . . . . . . . 102 K CB . 51620 1 307 . 1 . 1 59 59 LYS N N 15 122.978 . . . . . . . . 102 K N . 51620 1 308 . 1 . 1 60 60 ASP H H 1 8.401 . . . . . . . . 103 D HN . 51620 1 309 . 1 . 1 60 60 ASP C C 13 176.333 . . . . . . . . 103 D C . 51620 1 310 . 1 . 1 60 60 ASP CA C 13 54.381 . . . . . . . . 103 D CA . 51620 1 311 . 1 . 1 60 60 ASP CB C 13 41.455 . . . . . . . . 103 D CB . 51620 1 312 . 1 . 1 60 60 ASP CG C 13 180.176 . . . . . . . . 103 D CG . 51620 1 313 . 1 . 1 60 60 ASP N N 15 121.81 . . . . . . . . 103 D N . 51620 1 314 . 1 . 1 61 61 LEU H H 1 8.349 . . . . . . . . 104 L HN . 51620 1 315 . 1 . 1 61 61 LEU C C 13 177.18 . . . . . . . . 104 L C . 51620 1 316 . 1 . 1 61 61 LEU CA C 13 53.783 . . . . . . . . 104 L CA . 51620 1 317 . 1 . 1 61 61 LEU CB C 13 42.731 . . . . . . . . 104 L CB . 51620 1 318 . 1 . 1 61 61 LEU N N 15 123.296 . . . . . . . . 104 L N . 51620 1 319 . 1 . 1 62 62 SER H H 1 8.297 . . . . . . . . 105 S HN . 51620 1 320 . 1 . 1 62 62 SER C C 13 172.252 . . . . . . . . 105 S C . 51620 1 321 . 1 . 1 62 62 SER CA C 13 57.719 . . . . . . . . 105 S CA . 51620 1 322 . 1 . 1 62 62 SER CB C 13 62.579 . . . . . . . . 105 S CB . 51620 1 323 . 1 . 1 62 62 SER N N 15 117.88 . . . . . . . . 105 S N . 51620 1 324 . 1 . 1 63 63 PRO C C 13 174.932 . . . . . . . . 106 P C . 51620 1 325 . 1 . 1 63 63 PRO CA C 13 63.264 . . . . . . . . 106 P CA . 51620 1 326 . 1 . 1 63 63 PRO CB C 13 32.692 . . . . . . . . 106 P CB . 51620 1 327 . 1 . 1 63 63 PRO N N 15 138.203 . . . . . . . . 106 P N . 51620 1 328 . 1 . 1 64 64 ARG H H 1 8.155 . . . . . . . . 107 R HN . 51620 1 329 . 1 . 1 64 64 ARG HE H 1 7.29 . . . . . . . . 107 R HE . 51620 1 330 . 1 . 1 64 64 ARG C C 13 174.242 . . . . . . . . 107 R C . 51620 1 331 . 1 . 1 64 64 ARG CA C 13 54.584 . . . . . . . . 107 R CA . 51620 1 332 . 1 . 1 64 64 ARG CB C 13 34.971 . . . . . . . . 107 R CB . 51620 1 333 . 1 . 1 64 64 ARG N N 15 119.963 . . . . . . . . 107 R N . 51620 1 334 . 1 . 1 64 64 ARG NE N 15 85.51 . . . . . . . . 107 R NE . 51620 1 335 . 1 . 1 65 65 TRP H H 1 9.366 . . . . . . . . 108 W HN . 51620 1 336 . 1 . 1 65 65 TRP C C 13 175.122 . . . . . . . . 108 W C . 51620 1 337 . 1 . 1 65 65 TRP CA C 13 55.683 . . . . . . . . 108 W CA . 51620 1 338 . 1 . 1 65 65 TRP CB C 13 31.052 . . . . . . . . 108 W CB . 51620 1 339 . 1 . 1 65 65 TRP N N 15 121.235 . . . . . . . . 108 W N . 51620 1 340 . 1 . 1 66 66 TYR H H 1 8.576 . . . . . . . . 109 Y HN . 51620 1 341 . 1 . 1 66 66 TYR C C 13 175.264 . . . . . . . . 109 Y C . 51620 1 342 . 1 . 1 66 66 TYR CA C 13 56.477 . . . . . . . . 109 Y CA . 51620 1 343 . 1 . 1 66 66 TYR CB C 13 43.155 . . . . . . . . 109 Y CB . 51620 1 344 . 1 . 1 66 66 TYR N N 15 119.49 . . . . . . . . 109 Y N . 51620 1 345 . 1 . 1 67 67 PHE H H 1 9.472 . . . . . . . . 110 F HN . 51620 1 346 . 1 . 1 67 67 PHE C C 13 175.165 . . . . . . . . 110 F C . 51620 1 347 . 1 . 1 67 67 PHE CA C 13 56.877 . . . . . . . . 110 F CA . 51620 1 348 . 1 . 1 67 67 PHE CB C 13 39.626 . . . . . . . . 110 F CB . 51620 1 349 . 1 . 1 67 67 PHE N N 15 121.316 . . . . . . . . 110 F N . 51620 1 350 . 1 . 1 68 68 TYR H H 1 8.299 . . . . . . . . 111 Y HN . 51620 1 351 . 1 . 1 68 68 TYR C C 13 171.836 . . . . . . . . 111 Y C . 51620 1 352 . 1 . 1 68 68 TYR CA C 13 56.998 . . . . . . . . 111 Y CA . 51620 1 353 . 1 . 1 68 68 TYR CB C 13 40.687 . . . . . . . . 111 Y CB . 51620 1 354 . 1 . 1 68 68 TYR N N 15 128.307 . . . . . . . . 111 Y N . 51620 1 355 . 1 . 1 69 69 TYR H H 1 6.838 . . . . . . . . 112 Y HN . 51620 1 356 . 1 . 1 69 69 TYR C C 13 176.782 . . . . . . . . 112 Y C . 51620 1 357 . 1 . 1 69 69 TYR CA C 13 59.842 . . . . . . . . 112 Y CA . 51620 1 358 . 1 . 1 69 69 TYR CB C 13 39.468 . . . . . . . . 112 Y CB . 51620 1 359 . 1 . 1 69 69 TYR N N 15 116.067 . . . . . . . . 112 Y N . 51620 1 360 . 1 . 1 70 70 LEU H H 1 9.067 . . . . . . . . 113 L HN . 51620 1 361 . 1 . 1 70 70 LEU C C 13 176.319 . . . . . . . . 113 L C . 51620 1 362 . 1 . 1 70 70 LEU CA C 13 56.89 . . . . . . . . 113 L CA . 51620 1 363 . 1 . 1 70 70 LEU CB C 13 45.33 . . . . . . . . 113 L CB . 51620 1 364 . 1 . 1 70 70 LEU N N 15 124.662 . . . . . . . . 113 L N . 51620 1 365 . 1 . 1 71 71 GLY H H 1 9.916 . . . . . . . . 114 G HN . 51620 1 366 . 1 . 1 71 71 GLY C C 13 173.585 . . . . . . . . 114 G C . 51620 1 367 . 1 . 1 71 71 GLY CA C 13 46.141 . . . . . . . . 114 G CA . 51620 1 368 . 1 . 1 71 71 GLY N N 15 114.215 . . . . . . . . 114 G N . 51620 1 369 . 1 . 1 72 72 THR H H 1 8.163 . . . . . . . . 115 T HN . 51620 1 370 . 1 . 1 72 72 THR C C 13 174.571 . . . . . . . . 115 T C . 51620 1 371 . 1 . 1 72 72 THR CA C 13 59.286 . . . . . . . . 115 T CA . 51620 1 372 . 1 . 1 72 72 THR CB C 13 73.7 . . . . . . . . 115 T CB . 51620 1 373 . 1 . 1 72 72 THR N N 15 108.583 . . . . . . . . 115 T N . 51620 1 374 . 1 . 1 73 73 GLY H H 1 9.14 . . . . . . . . 116 G HN . 51620 1 375 . 1 . 1 73 73 GLY C C 13 172.351 . . . . . . . . 116 G C . 51620 1 376 . 1 . 1 73 73 GLY CA C 13 45.72 . . . . . . . . 116 G CA . 51620 1 377 . 1 . 1 73 73 GLY N N 15 106.837 . . . . . . . . 116 G N . 51620 1 378 . 1 . 1 74 74 PRO C C 13 177.316 . . . . . . . . 117 P C . 51620 1 379 . 1 . 1 74 74 PRO CA C 13 64.619 . . . . . . . . 117 P CA . 51620 1 380 . 1 . 1 74 74 PRO CB C 13 32.161 . . . . . . . . 117 P CB . 51620 1 381 . 1 . 1 74 74 PRO N N 15 134.29 . . . . . . . . 117 P N . 51620 1 382 . 1 . 1 75 75 GLU H H 1 7.631 . . . . . . . . 118 E HN . 51620 1 383 . 1 . 1 75 75 GLU C C 13 177.041 . . . . . . . . 118 E C . 51620 1 384 . 1 . 1 75 75 GLU CA C 13 52.791 . . . . . . . . 118 E CA . 51620 1 385 . 1 . 1 75 75 GLU CB C 13 25.477 . . . . . . . . 118 E CB . 51620 1 386 . 1 . 1 75 75 GLU CG C 13 33.989 . . . . . . . . 118 E CG . 51620 1 387 . 1 . 1 75 75 GLU CD C 13 181.218 . . . . . . . . 118 E CD . 51620 1 388 . 1 . 1 75 75 GLU N N 15 114.533 . . . . . . . . 118 E N . 51620 1 389 . 1 . 1 76 76 ALA H H 1 6.998 . . . . . . . . 119 A HN . 51620 1 390 . 1 . 1 76 76 ALA C C 13 177.362 . . . . . . . . 119 A C . 51620 1 391 . 1 . 1 76 76 ALA CA C 13 55.276 . . . . . . . . 119 A CA . 51620 1 392 . 1 . 1 76 76 ALA CB C 13 18.62 . . . . . . . . 119 A CB . 51620 1 393 . 1 . 1 76 76 ALA N N 15 122.797 . . . . . . . . 119 A N . 51620 1 394 . 1 . 1 77 77 GLY H H 1 8.254 . . . . . . . . 120 G HN . 51620 1 395 . 1 . 1 77 77 GLY C C 13 174.759 . . . . . . . . 120 G C . 51620 1 396 . 1 . 1 77 77 GLY CA C 13 44.859 . . . . . . . . 120 G CA . 51620 1 397 . 1 . 1 77 77 GLY N N 15 100.878 . . . . . . . . 120 G N . 51620 1 398 . 1 . 1 78 78 LEU H H 1 7.541 . . . . . . . . 121 L HN . 51620 1 399 . 1 . 1 78 78 LEU C C 13 174.909 . . . . . . . . 121 L C . 51620 1 400 . 1 . 1 78 78 LEU CA C 13 52.21 . . . . . . . . 121 L CA . 51620 1 401 . 1 . 1 78 78 LEU CB C 13 42.188 . . . . . . . . 121 L CB . 51620 1 402 . 1 . 1 78 78 LEU N N 15 122.793 . . . . . . . . 121 L N . 51620 1 403 . 1 . 1 79 79 PRO C C 13 174.239 . . . . . . . . 122 P C . 51620 1 404 . 1 . 1 79 79 PRO CA C 13 61.368 . . . . . . . . 122 P CA . 51620 1 405 . 1 . 1 79 79 PRO CB C 13 31.926 . . . . . . . . 122 P CB . 51620 1 406 . 1 . 1 79 79 PRO N N 15 137.256 . . . . . . . . 122 P N . 51620 1 407 . 1 . 1 80 80 TYR H H 1 8.500 . . . . . . . . 123 Y HN . 51620 1 408 . 1 . 1 80 80 TYR C C 13 177.054 . . . . . . . . 123 Y C . 51620 1 409 . 1 . 1 80 80 TYR CA C 13 59.341 . . . . . . . . 123 Y CA . 51620 1 410 . 1 . 1 80 80 TYR CB C 13 37.738 . . . . . . . . 123 Y CB . 51620 1 411 . 1 . 1 80 80 TYR N N 15 118.656 . . . . . . . . 123 Y N . 51620 1 412 . 1 . 1 81 81 GLY H H 1 3.037 . . . . . . . . 124 G HN . 51620 1 413 . 1 . 1 81 81 GLY C C 13 173.9 . . . . . . . . 124 G C . 51620 1 414 . 1 . 1 81 81 GLY CA C 13 44.624 . . . . . . . . 124 G CA . 51620 1 415 . 1 . 1 81 81 GLY N N 15 112.302 . . . . . . . . 124 G N . 51620 1 416 . 1 . 1 82 82 ALA H H 1 7.322 . . . . . . . . 125 A HN . 51620 1 417 . 1 . 1 82 82 ALA C C 13 177.917 . . . . . . . . 125 A C . 51620 1 418 . 1 . 1 82 82 ALA CA C 13 53.02 . . . . . . . . 125 A CA . 51620 1 419 . 1 . 1 82 82 ALA CB C 13 19.784 . . . . . . . . 125 A CB . 51620 1 420 . 1 . 1 82 82 ALA N N 15 123.527 . . . . . . . . 125 A N . 51620 1 421 . 1 . 1 83 83 ASN H H 1 8.774 . . . . . . . . 126 N HN . 51620 1 422 . 1 . 1 83 83 ASN C C 13 174.58 . . . . . . . . 126 N C . 51620 1 423 . 1 . 1 83 83 ASN CA C 13 53.572 . . . . . . . . 126 N CA . 51620 1 424 . 1 . 1 83 83 ASN CB C 13 39.144 . . . . . . . . 126 N CB . 51620 1 425 . 1 . 1 83 83 ASN CG C 13 176.822 . . . . . . . . 126 N CG . 51620 1 426 . 1 . 1 83 83 ASN N N 15 121.641 . . . . . . . . 126 N N . 51620 1 427 . 1 . 1 84 84 LYS H H 1 8.716 . . . . . . . . 127 K HN . 51620 1 428 . 1 . 1 84 84 LYS C C 13 174.198 . . . . . . . . 127 K C . 51620 1 429 . 1 . 1 84 84 LYS CA C 13 56.837 . . . . . . . . 127 K CA . 51620 1 430 . 1 . 1 84 84 LYS CB C 13 35.159 . . . . . . . . 127 K CB . 51620 1 431 . 1 . 1 84 84 LYS N N 15 127.876 . . . . . . . . 127 K N . 51620 1 432 . 1 . 1 85 85 ASP H H 1 8.57 . . . . . . . . 128 D HN . 51620 1 433 . 1 . 1 85 85 ASP C C 13 177.008 . . . . . . . . 128 D C . 51620 1 434 . 1 . 1 85 85 ASP CA C 13 56.36 . . . . . . . . 128 D CA . 51620 1 435 . 1 . 1 85 85 ASP CB C 13 41.202 . . . . . . . . 128 D CB . 51620 1 436 . 1 . 1 85 85 ASP CG C 13 179.866 . . . . . . . . 128 D CG . 51620 1 437 . 1 . 1 85 85 ASP N N 15 126.022 . . . . . . . . 128 D N . 51620 1 438 . 1 . 1 86 86 GLY H H 1 9.123 . . . . . . . . 129 G HN . 51620 1 439 . 1 . 1 86 86 GLY C C 13 171.666 . . . . . . . . 129 G C . 51620 1 440 . 1 . 1 86 86 GLY CA C 13 45.685 . . . . . . . . 129 G CA . 51620 1 441 . 1 . 1 86 86 GLY N N 15 113.265 . . . . . . . . 129 G N . 51620 1 442 . 1 . 1 87 87 ILE H H 1 7.782 . . . . . . . . 130 I HN . 51620 1 443 . 1 . 1 87 87 ILE C C 13 176.698 . . . . . . . . 130 I C . 51620 1 444 . 1 . 1 87 87 ILE CA C 13 57.867 . . . . . . . . 130 I CA . 51620 1 445 . 1 . 1 87 87 ILE CB C 13 37.846 . . . . . . . . 130 I CB . 51620 1 446 . 1 . 1 87 87 ILE N N 15 118.264 . . . . . . . . 130 I N . 51620 1 447 . 1 . 1 88 88 ILE H H 1 8.882 . . . . . . . . 131 I HN . 51620 1 448 . 1 . 1 88 88 ILE C C 13 174.693 . . . . . . . . 131 I C . 51620 1 449 . 1 . 1 88 88 ILE CA C 13 58.104 . . . . . . . . 131 I CA . 51620 1 450 . 1 . 1 88 88 ILE CB C 13 42.229 . . . . . . . . 131 I CB . 51620 1 451 . 1 . 1 88 88 ILE N N 15 123.724 . . . . . . . . 131 I N . 51620 1 452 . 1 . 1 89 89 TRP H H 1 8.64 . . . . . . . . 132 W HN . 51620 1 453 . 1 . 1 89 89 TRP C C 13 176.673 . . . . . . . . 132 W C . 51620 1 454 . 1 . 1 89 89 TRP CA C 13 57.025 . . . . . . . . 132 W CA . 51620 1 455 . 1 . 1 89 89 TRP CB C 13 30.696 . . . . . . . . 132 W CB . 51620 1 456 . 1 . 1 89 89 TRP N N 15 125.019 . . . . . . . . 132 W N . 51620 1 457 . 1 . 1 90 90 VAL H H 1 9.485 . . . . . . . . 133 V HN . 51620 1 458 . 1 . 1 90 90 VAL C C 13 173.961 . . . . . . . . 133 V C . 51620 1 459 . 1 . 1 90 90 VAL CA C 13 59.415 . . . . . . . . 133 V CA . 51620 1 460 . 1 . 1 90 90 VAL CB C 13 36.189 . . . . . . . . 133 V CB . 51620 1 461 . 1 . 1 90 90 VAL N N 15 115.886 . . . . . . . . 133 V N . 51620 1 462 . 1 . 1 91 91 ALA H H 1 8.591 . . . . . . . . 134 A HN . 51620 1 463 . 1 . 1 91 91 ALA C C 13 176.983 . . . . . . . . 134 A C . 51620 1 464 . 1 . 1 91 91 ALA CA C 13 52.561 . . . . . . . . 134 A CA . 51620 1 465 . 1 . 1 91 91 ALA CB C 13 21.646 . . . . . . . . 134 A CB . 51620 1 466 . 1 . 1 91 91 ALA N N 15 119.817 . . . . . . . . 134 A N . 51620 1 467 . 1 . 1 92 92 THR H H 1 8.233 . . . . . . . . 135 T HN . 51620 1 468 . 1 . 1 92 92 THR C C 13 175.177 . . . . . . . . 135 T C . 51620 1 469 . 1 . 1 92 92 THR CA C 13 61.195 . . . . . . . . 135 T CA . 51620 1 470 . 1 . 1 92 92 THR CB C 13 69.34 . . . . . . . . 135 T CB . 51620 1 471 . 1 . 1 92 92 THR N N 15 116.728 . . . . . . . . 135 T N . 51620 1 472 . 1 . 1 93 93 GLU H H 1 9.005 . . . . . . . . 136 E HN . 51620 1 473 . 1 . 1 93 93 GLU C C 13 177.463 . . . . . . . . 136 E C . 51620 1 474 . 1 . 1 93 93 GLU CA C 13 58.693 . . . . . . . . 136 E CA . 51620 1 475 . 1 . 1 93 93 GLU CB C 13 29.09 . . . . . . . . 136 E CB . 51620 1 476 . 1 . 1 93 93 GLU CG C 13 35.797 . . . . . . . . 136 E CG . 51620 1 477 . 1 . 1 93 93 GLU CD C 13 183.737 . . . . . . . . 136 E CD . 51620 1 478 . 1 . 1 93 93 GLU N N 15 125.787 . . . . . . . . 136 E N . 51620 1 479 . 1 . 1 94 94 GLY H H 1 8.589 . . . . . . . . 137 G HN . 51620 1 480 . 1 . 1 94 94 GLY C C 13 174.334 . . . . . . . . 137 G C . 51620 1 481 . 1 . 1 94 94 GLY CA C 13 44.548 . . . . . . . . 137 G CA . 51620 1 482 . 1 . 1 94 94 GLY N N 15 112.346 . . . . . . . . 137 G N . 51620 1 483 . 1 . 1 95 95 ALA H H 1 7.459 . . . . . . . . 138 A HN . 51620 1 484 . 1 . 1 95 95 ALA C C 13 177.265 . . . . . . . . 138 A C . 51620 1 485 . 1 . 1 95 95 ALA CA C 13 52.969 . . . . . . . . 138 A CA . 51620 1 486 . 1 . 1 95 95 ALA CB C 13 20.315 . . . . . . . . 138 A CB . 51620 1 487 . 1 . 1 95 95 ALA N N 15 122.673 . . . . . . . . 138 A N . 51620 1 488 . 1 . 1 96 96 LEU H H 1 8.617 . . . . . . . . 139 L HN . 51620 1 489 . 1 . 1 96 96 LEU C C 13 177.767 . . . . . . . . 139 L C . 51620 1 490 . 1 . 1 96 96 LEU CA C 13 53.769 . . . . . . . . 139 L CA . 51620 1 491 . 1 . 1 96 96 LEU CB C 13 43.753 . . . . . . . . 139 L CB . 51620 1 492 . 1 . 1 96 96 LEU N N 15 120.527 . . . . . . . . 139 L N . 51620 1 493 . 1 . 1 97 97 ASN H H 1 9.007 . . . . . . . . 140 N HN . 51620 1 494 . 1 . 1 97 97 ASN C C 13 173.928 . . . . . . . . 140 N C . 51620 1 495 . 1 . 1 97 97 ASN CA C 13 51.942 . . . . . . . . 140 N CA . 51620 1 496 . 1 . 1 97 97 ASN CB C 13 35.685 . . . . . . . . 140 N CB . 51620 1 497 . 1 . 1 97 97 ASN CG C 13 176.07 . . . . . . . . 140 N CG . 51620 1 498 . 1 . 1 97 97 ASN N N 15 124.631 . . . . . . . . 140 N N . 51620 1 499 . 1 . 1 98 98 THR H H 1 7.697 . . . . . . . . 141 T HN . 51620 1 500 . 1 . 1 98 98 THR C C 13 171.379 . . . . . . . . 141 T C . 51620 1 501 . 1 . 1 98 98 THR CA C 13 57.652 . . . . . . . . 141 T CA . 51620 1 502 . 1 . 1 98 98 THR CB C 13 69.989 . . . . . . . . 141 T CB . 51620 1 503 . 1 . 1 98 98 THR N N 15 114.512 . . . . . . . . 141 T N . 51620 1 504 . 1 . 1 99 99 PRO C C 13 178.713 . . . . . . . . 142 P C . 51620 1 505 . 1 . 1 99 99 PRO CA C 13 62.493 . . . . . . . . 142 P CA . 51620 1 506 . 1 . 1 99 99 PRO CB C 13 32.436 . . . . . . . . 142 P CB . 51620 1 507 . 1 . 1 99 99 PRO N N 15 132.716 . . . . . . . . 142 P N . 51620 1 508 . 1 . 1 100 100 LYS H H 1 8.864 . . . . . . . . 143 K HN . 51620 1 509 . 1 . 1 100 100 LYS C C 13 177.656 . . . . . . . . 143 K C . 51620 1 510 . 1 . 1 100 100 LYS CA C 13 51.438 . . . . . . . . 143 K CA . 51620 1 511 . 1 . 1 100 100 LYS CB C 13 27.084 . . . . . . . . 143 K CB . 51620 1 512 . 1 . 1 100 100 LYS N N 15 119.642 . . . . . . . . 143 K N . 51620 1 513 . 1 . 1 101 101 ASP H H 1 8.17 . . . . . . . . 144 D HN . 51620 1 514 . 1 . 1 101 101 ASP C C 13 176.452 . . . . . . . . 144 D C . 51620 1 515 . 1 . 1 101 101 ASP CA C 13 56.919 . . . . . . . . 144 D CA . 51620 1 516 . 1 . 1 101 101 ASP CB C 13 40.424 . . . . . . . . 144 D CB . 51620 1 517 . 1 . 1 101 101 ASP CG C 13 179.126 . . . . . . . . 144 D CG . 51620 1 518 . 1 . 1 101 101 ASP N N 15 121.351 . . . . . . . . 144 D N . 51620 1 519 . 1 . 1 102 102 HIS H H 1 8.715 . . . . . . . . 145 H HN . 51620 1 520 . 1 . 1 102 102 HIS C C 13 175.812 . . . . . . . . 145 H C . 51620 1 521 . 1 . 1 102 102 HIS CA C 13 57.416 . . . . . . . . 145 H CA . 51620 1 522 . 1 . 1 102 102 HIS CB C 13 28.984 . . . . . . . . 145 H CB . 51620 1 523 . 1 . 1 102 102 HIS N N 15 114.151 . . . . . . . . 145 H N . 51620 1 524 . 1 . 1 103 103 ILE H H 1 6.685 . . . . . . . . 146 I HN . 51620 1 525 . 1 . 1 103 103 ILE C C 13 178.327 . . . . . . . . 146 I C . 51620 1 526 . 1 . 1 103 103 ILE CA C 13 62.831 . . . . . . . . 146 I CA . 51620 1 527 . 1 . 1 103 103 ILE CB C 13 39.073 . . . . . . . . 146 I CB . 51620 1 528 . 1 . 1 103 103 ILE N N 15 121.966 . . . . . . . . 146 I N . 51620 1 529 . 1 . 1 104 104 GLY H H 1 7.764 . . . . . . . . 147 G HN . 51620 1 530 . 1 . 1 104 104 GLY C C 13 174.167 . . . . . . . . 147 G C . 51620 1 531 . 1 . 1 104 104 GLY CA C 13 45.966 . . . . . . . . 147 G CA . 51620 1 532 . 1 . 1 104 104 GLY N N 15 104.379 . . . . . . . . 147 G N . 51620 1 533 . 1 . 1 105 105 THR H H 1 8.347 . . . . . . . . 148 T HN . 51620 1 534 . 1 . 1 105 105 THR C C 13 172.331 . . . . . . . . 148 T C . 51620 1 535 . 1 . 1 105 105 THR CA C 13 59.967 . . . . . . . . 148 T CA . 51620 1 536 . 1 . 1 105 105 THR CB C 13 69.579 . . . . . . . . 148 T CB . 51620 1 537 . 1 . 1 105 105 THR N N 15 111.169 . . . . . . . . 148 T N . 51620 1 538 . 1 . 1 106 106 ARG H H 1 7.677 . . . . . . . . 149 R HN . 51620 1 539 . 1 . 1 106 106 ARG HE H 1 7.95 . . . . . . . . 149 R HE . 51620 1 540 . 1 . 1 106 106 ARG C C 13 174.358 . . . . . . . . 149 R C . 51620 1 541 . 1 . 1 106 106 ARG CA C 13 54.877 . . . . . . . . 149 R CA . 51620 1 542 . 1 . 1 106 106 ARG CB C 13 32.566 . . . . . . . . 149 R CB . 51620 1 543 . 1 . 1 106 106 ARG N N 15 120.197 . . . . . . . . 149 R N . 51620 1 544 . 1 . 1 106 106 ARG NE N 15 81.61 . . . . . . . . 149 R NE . 51620 1 545 . 1 . 1 107 107 ASN H H 1 8.789 . . . . . . . . 150 N HN . 51620 1 546 . 1 . 1 107 107 ASN C C 13 175.274 . . . . . . . . 150 N C . 51620 1 547 . 1 . 1 107 107 ASN CA C 13 48.967 . . . . . . . . 150 N CA . 51620 1 548 . 1 . 1 107 107 ASN CB C 13 38.386 . . . . . . . . 150 N CB . 51620 1 549 . 1 . 1 107 107 ASN CG C 13 177.394 . . . . . . . . 150 N CG . 51620 1 550 . 1 . 1 107 107 ASN N N 15 124.481 . . . . . . . . 150 N N . 51620 1 551 . 1 . 1 108 108 PRO C C 13 176.696 . . . . . . . . 151 P C . 51620 1 552 . 1 . 1 108 108 PRO CA C 13 63.579 . . . . . . . . 151 P CA . 51620 1 553 . 1 . 1 108 108 PRO CB C 13 32.207 . . . . . . . . 151 P CB . 51620 1 554 . 1 . 1 108 108 PRO N N 15 136.924 . . . . . . . . 151 P N . 51620 1 555 . 1 . 1 109 109 ALA H H 1 7.78 . . . . . . . . 152 A HN . 51620 1 556 . 1 . 1 109 109 ALA C C 13 178.074 . . . . . . . . 152 A C . 51620 1 557 . 1 . 1 109 109 ALA CA C 13 53.581 . . . . . . . . 152 A CA . 51620 1 558 . 1 . 1 109 109 ALA CB C 13 18.248 . . . . . . . . 152 A CB . 51620 1 559 . 1 . 1 109 109 ALA N N 15 117.982 . . . . . . . . 152 A N . 51620 1 560 . 1 . 1 110 110 ASN H H 1 7.662 . . . . . . . . 153 N HN . 51620 1 561 . 1 . 1 110 110 ASN C C 13 174.99 . . . . . . . . 153 N C . 51620 1 562 . 1 . 1 110 110 ASN CA C 13 52.971 . . . . . . . . 153 N CA . 51620 1 563 . 1 . 1 110 110 ASN CB C 13 40.921 . . . . . . . . 153 N CB . 51620 1 564 . 1 . 1 110 110 ASN CG C 13 175.911 . . . . . . . . 153 N CG . 51620 1 565 . 1 . 1 110 110 ASN N N 15 112.824 . . . . . . . . 153 N N . 51620 1 566 . 1 . 1 111 111 ASN H H 1 7.77 . . . . . . . . 154 N HN . 51620 1 567 . 1 . 1 111 111 ASN C C 13 173.241 . . . . . . . . 154 N C . 51620 1 568 . 1 . 1 111 111 ASN CA C 13 53.553 . . . . . . . . 154 N CA . 51620 1 569 . 1 . 1 111 111 ASN CB C 13 43.78 . . . . . . . . 154 N CB . 51620 1 570 . 1 . 1 111 111 ASN CG C 13 177.191 . . . . . . . . 154 N CG . 51620 1 571 . 1 . 1 111 111 ASN N N 15 116.318 . . . . . . . . 154 N N . 51620 1 572 . 1 . 1 112 112 ALA H H 1 8.606 . . . . . . . . 155 A HN . 51620 1 573 . 1 . 1 112 112 ALA C C 13 177.051 . . . . . . . . 155 A C . 51620 1 574 . 1 . 1 112 112 ALA CA C 13 51.274 . . . . . . . . 155 A CA . 51620 1 575 . 1 . 1 112 112 ALA CB C 13 19.481 . . . . . . . . 155 A CB . 51620 1 576 . 1 . 1 112 112 ALA N N 15 126.537 . . . . . . . . 155 A N . 51620 1 577 . 1 . 1 113 113 ALA H H 1 8.396 . . . . . . . . 156 A HN . 51620 1 578 . 1 . 1 113 113 ALA C C 13 177.689 . . . . . . . . 156 A C . 51620 1 579 . 1 . 1 113 113 ALA CA C 13 52.381 . . . . . . . . 156 A CA . 51620 1 580 . 1 . 1 113 113 ALA CB C 13 18.765 . . . . . . . . 156 A CB . 51620 1 581 . 1 . 1 113 113 ALA N N 15 122.3 . . . . . . . . 156 A N . 51620 1 582 . 1 . 1 114 114 ILE H H 1 9.472 . . . . . . . . 157 I HN . 51620 1 583 . 1 . 1 114 114 ILE C C 13 176.803 . . . . . . . . 157 I C . 51620 1 584 . 1 . 1 114 114 ILE CA C 13 61.154 . . . . . . . . 157 I CA . 51620 1 585 . 1 . 1 114 114 ILE CB C 13 38.914 . . . . . . . . 157 I CB . 51620 1 586 . 1 . 1 114 114 ILE N N 15 126.061 . . . . . . . . 157 I N . 51620 1 587 . 1 . 1 115 115 VAL H H 1 8.626 . . . . . . . . 158 V HN . 51620 1 588 . 1 . 1 115 115 VAL C C 13 177.537 . . . . . . . . 158 V C . 51620 1 589 . 1 . 1 115 115 VAL CA C 13 64.121 . . . . . . . . 158 V CA . 51620 1 590 . 1 . 1 115 115 VAL CB C 13 31.195 . . . . . . . . 158 V CB . 51620 1 591 . 1 . 1 115 115 VAL N N 15 128.612 . . . . . . . . 158 V N . 51620 1 592 . 1 . 1 116 116 LEU H H 1 8.209 . . . . . . . . 159 L HN . 51620 1 593 . 1 . 1 116 116 LEU C C 13 175.16 . . . . . . . . 159 L C . 51620 1 594 . 1 . 1 116 116 LEU CA C 13 58.758 . . . . . . . . 159 L CA . 51620 1 595 . 1 . 1 116 116 LEU CB C 13 41.204 . . . . . . . . 159 L CB . 51620 1 596 . 1 . 1 116 116 LEU N N 15 133.3 . . . . . . . . 159 L N . 51620 1 597 . 1 . 1 117 117 GLN H H 1 9.181 . . . . . . . . 160 Q HN . 51620 1 598 . 1 . 1 117 117 GLN C C 13 173.424 . . . . . . . . 160 Q C . 51620 1 599 . 1 . 1 117 117 GLN CA C 13 54.445 . . . . . . . . 160 Q CA . 51620 1 600 . 1 . 1 117 117 GLN CB C 13 32.435 . . . . . . . . 160 Q CB . 51620 1 601 . 1 . 1 117 117 GLN CG C 13 33.97 . . . . . . . . 160 Q CG . 51620 1 602 . 1 . 1 117 117 GLN CD C 13 180.908 . . . . . . . . 160 Q CD . 51620 1 603 . 1 . 1 117 117 GLN N N 15 128.694 . . . . . . . . 160 Q N . 51620 1 604 . 1 . 1 118 118 LEU H H 1 8.535 . . . . . . . . 161 L HN . 51620 1 605 . 1 . 1 118 118 LEU C C 13 174.725 . . . . . . . . 161 L C . 51620 1 606 . 1 . 1 118 118 LEU CA C 13 51.206 . . . . . . . . 161 L CA . 51620 1 607 . 1 . 1 118 118 LEU CB C 13 40.979 . . . . . . . . 161 L CB . 51620 1 608 . 1 . 1 118 118 LEU N N 15 123.201 . . . . . . . . 161 L N . 51620 1 609 . 1 . 1 119 119 PRO C C 13 176.417 . . . . . . . . 162 P C . 51620 1 610 . 1 . 1 119 119 PRO CA C 13 62.751 . . . . . . . . 162 P CA . 51620 1 611 . 1 . 1 119 119 PRO CB C 13 32.175 . . . . . . . . 162 P CB . 51620 1 612 . 1 . 1 119 119 PRO N N 15 133.481 . . . . . . . . 162 P N . 51620 1 613 . 1 . 1 120 120 GLN H H 1 8.692 . . . . . . . . 163 Q HN . 51620 1 614 . 1 . 1 120 120 GLN C C 13 176.86 . . . . . . . . 163 Q C . 51620 1 615 . 1 . 1 120 120 GLN CA C 13 57.671 . . . . . . . . 163 Q CA . 51620 1 616 . 1 . 1 120 120 GLN CB C 13 28.305 . . . . . . . . 163 Q CB . 51620 1 617 . 1 . 1 120 120 GLN CG C 13 33.467 . . . . . . . . 163 Q CG . 51620 1 618 . 1 . 1 120 120 GLN CD C 13 180.252 . . . . . . . . 163 Q CD . 51620 1 619 . 1 . 1 120 120 GLN N N 15 122.68 . . . . . . . . 163 Q N . 51620 1 620 . 1 . 1 121 121 GLY H H 1 8.877 . . . . . . . . 164 G HN . 51620 1 621 . 1 . 1 121 121 GLY C C 13 174.461 . . . . . . . . 164 G C . 51620 1 622 . 1 . 1 121 121 GLY CA C 13 44.884 . . . . . . . . 164 G CA . 51620 1 623 . 1 . 1 121 121 GLY N N 15 113.202 . . . . . . . . 164 G N . 51620 1 624 . 1 . 1 122 122 THR H H 1 7.859 . . . . . . . . 165 T HN . 51620 1 625 . 1 . 1 122 122 THR C C 13 173.784 . . . . . . . . 165 T C . 51620 1 626 . 1 . 1 122 122 THR CA C 13 62.706 . . . . . . . . 165 T CA . 51620 1 627 . 1 . 1 122 122 THR CB C 13 69.565 . . . . . . . . 165 T CB . 51620 1 628 . 1 . 1 122 122 THR N N 15 117.152 . . . . . . . . 165 T N . 51620 1 629 . 1 . 1 123 123 THR H H 1 8.804 . . . . . . . . 166 T HN . 51620 1 630 . 1 . 1 123 123 THR C C 13 173.416 . . . . . . . . 166 T C . 51620 1 631 . 1 . 1 123 123 THR CA C 13 61.249 . . . . . . . . 166 T CA . 51620 1 632 . 1 . 1 123 123 THR CB C 13 70.116 . . . . . . . . 166 T CB . 51620 1 633 . 1 . 1 123 123 THR N N 15 122.422 . . . . . . . . 166 T N . 51620 1 634 . 1 . 1 124 124 LEU H H 1 8.427 . . . . . . . . 167 L HN . 51620 1 635 . 1 . 1 124 124 LEU C C 13 174.715 . . . . . . . . 167 L C . 51620 1 636 . 1 . 1 124 124 LEU CA C 13 52.467 . . . . . . . . 167 L CA . 51620 1 637 . 1 . 1 124 124 LEU CB C 13 41.279 . . . . . . . . 167 L CB . 51620 1 638 . 1 . 1 124 124 LEU N N 15 126.792 . . . . . . . . 167 L N . 51620 1 639 . 1 . 1 125 125 PRO C C 13 175.597 . . . . . . . . 168 P C . 51620 1 640 . 1 . 1 125 125 PRO CA C 13 62.077 . . . . . . . . 168 P CA . 51620 1 641 . 1 . 1 125 125 PRO CB C 13 30.976 . . . . . . . . 168 P CB . 51620 1 642 . 1 . 1 125 125 PRO N N 15 136.059 . . . . . . . . 168 P N . 51620 1 643 . 1 . 1 126 126 LYS H H 1 8.271 . . . . . . . . 169 K HN . 51620 1 644 . 1 . 1 126 126 LYS C C 13 177.317 . . . . . . . . 169 K C . 51620 1 645 . 1 . 1 126 126 LYS CA C 13 57.91 . . . . . . . . 169 K CA . 51620 1 646 . 1 . 1 126 126 LYS CB C 13 32.318 . . . . . . . . 169 K CB . 51620 1 647 . 1 . 1 126 126 LYS N N 15 121.413 . . . . . . . . 169 K N . 51620 1 648 . 1 . 1 127 127 GLY H H 1 8.745 . . . . . . . . 170 G HN . 51620 1 649 . 1 . 1 127 127 GLY C C 13 173.155 . . . . . . . . 170 G C . 51620 1 650 . 1 . 1 127 127 GLY CA C 13 45.081 . . . . . . . . 170 G CA . 51620 1 651 . 1 . 1 127 127 GLY N N 15 110.74 . . . . . . . . 170 G N . 51620 1 652 . 1 . 1 128 128 PHE H H 1 7.529 . . . . . . . . 171 F HN . 51620 1 653 . 1 . 1 128 128 PHE C C 13 174.898 . . . . . . . . 171 F C . 51620 1 654 . 1 . 1 128 128 PHE CA C 13 57.131 . . . . . . . . 171 F CA . 51620 1 655 . 1 . 1 128 128 PHE CB C 13 41.973 . . . . . . . . 171 F CB . 51620 1 656 . 1 . 1 128 128 PHE N N 15 117.213 . . . . . . . . 171 F N . 51620 1 657 . 1 . 1 129 129 TYR H H 1 8.635 . . . . . . . . 172 Y HN . 51620 1 658 . 1 . 1 129 129 TYR C C 13 173.816 . . . . . . . . 172 Y C . 51620 1 659 . 1 . 1 129 129 TYR CA C 13 56.366 . . . . . . . . 172 Y CA . 51620 1 660 . 1 . 1 129 129 TYR CB C 13 41.447 . . . . . . . . 172 Y CB . 51620 1 661 . 1 . 1 129 129 TYR N N 15 118.211 . . . . . . . . 172 Y N . 51620 1 662 . 1 . 1 130 130 ALA H H 1 8.746 . . . . . . . . 173 A HN . 51620 1 663 . 1 . 1 130 130 ALA C C 13 177.314 . . . . . . . . 173 A C . 51620 1 664 . 1 . 1 130 130 ALA CA C 13 51.434 . . . . . . . . 173 A CA . 51620 1 665 . 1 . 1 130 130 ALA CB C 13 19.26 . . . . . . . . 173 A CB . 51620 1 666 . 1 . 1 130 130 ALA N N 15 126.383 . . . . . . . . 173 A N . 51620 1 667 . 1 . 1 131 131 GLU H H 1 8.796 . . . . . . . . 174 E HN . 51620 1 668 . 1 . 1 131 131 GLU C C 13 177.295 . . . . . . . . 174 E C . 51620 1 669 . 1 . 1 131 131 GLU CA C 13 57.349 . . . . . . . . 174 E CA . 51620 1 670 . 1 . 1 131 131 GLU CB C 13 30.122 . . . . . . . . 174 E CB . 51620 1 671 . 1 . 1 131 131 GLU CG C 13 36.292 . . . . . . . . 174 E CG . 51620 1 672 . 1 . 1 131 131 GLU CD C 13 183.546 . . . . . . . . 174 E CD . 51620 1 673 . 1 . 1 131 131 GLU N N 15 124.625 . . . . . . . . 174 E N . 51620 1 674 . 1 . 1 132 132 GLY H H 1 8.779 . . . . . . . . 175 G HN . 51620 1 675 . 1 . 1 132 132 GLY C C 13 174.477 . . . . . . . . 175 G C . 51620 1 676 . 1 . 1 132 132 GLY CA C 13 45.04 . . . . . . . . 175 G CA . 51620 1 677 . 1 . 1 132 132 GLY N N 15 110.737 . . . . . . . . 175 G N . 51620 1 678 . 1 . 1 133 133 SER H H 1 8.165 . . . . . . . . 176 S HN . 51620 1 679 . 1 . 1 133 133 SER C C 13 174.858 . . . . . . . . 176 S C . 51620 1 680 . 1 . 1 133 133 SER CA C 13 58.678 . . . . . . . . 176 S CA . 51620 1 681 . 1 . 1 133 133 SER CB C 13 63.924 . . . . . . . . 176 S CB . 51620 1 682 . 1 . 1 133 133 SER N N 15 114.886 . . . . . . . . 176 S N . 51620 1 683 . 1 . 1 134 134 ARG H H 1 8.524 . . . . . . . . 177 R HN . 51620 1 684 . 1 . 1 134 134 ARG HE H 1 7.18 . . . . . . . . 177 R HE . 51620 1 685 . 1 . 1 134 134 ARG C C 13 176.842 . . . . . . . . 177 R C . 51620 1 686 . 1 . 1 134 134 ARG CA C 13 56.189 . . . . . . . . 177 R CA . 51620 1 687 . 1 . 1 134 134 ARG CB C 13 30.615 . . . . . . . . 177 R CB . 51620 1 688 . 1 . 1 134 134 ARG N N 15 122.68 . . . . . . . . 177 R N . 51620 1 689 . 1 . 1 134 134 ARG NE N 15 84.8 . . . . . . . . 177 R NE . 51620 1 690 . 1 . 1 135 135 GLY H H 1 8.416 . . . . . . . . 178 G HN . 51620 1 691 . 1 . 1 135 135 GLY C C 13 174.59 . . . . . . . . 178 G C . 51620 1 692 . 1 . 1 135 135 GLY CA C 13 45.353 . . . . . . . . 178 G CA . 51620 1 693 . 1 . 1 135 135 GLY N N 15 109.953 . . . . . . . . 178 G N . 51620 1 694 . 1 . 1 136 136 GLY H H 1 8.296 . . . . . . . . 179 G HN . 51620 1 695 . 1 . 1 136 136 GLY C C 13 173.516 . . . . . . . . 179 G C . 51620 1 696 . 1 . 1 136 136 GLY CA C 13 45.369 . . . . . . . . 179 G CA . 51620 1 697 . 1 . 1 136 136 GLY N N 15 109.375 . . . . . . . . 179 G N . 51620 1 698 . 1 . 1 137 137 SER H H 1 7.900 . . . . . . . . 180 S HN . 51620 1 699 . 1 . 1 137 137 SER C C 13 178.748 . . . . . . . . 180 S C . 51620 1 700 . 1 . 1 137 137 SER CA C 13 59.946 . . . . . . . . 180 S CA . 51620 1 701 . 1 . 1 137 137 SER CB C 13 64.803 . . . . . . . . 180 S CB . 51620 1 702 . 1 . 1 137 137 SER N N 15 121.015 . . . . . . . . 180 S N . 51620 1 stop_ save_