data_27177 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27177 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for truncated forms of the coronavirus nsp1 protein and its solubility domain GB1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-07-13 _Entry.Accession_date 2017-07-13 _Entry.Last_release_date 2017-07-13 _Entry.Original_release_date 2017-07-13 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; The data deposited here represent a study of the truncated froms of the globular domain of the nsp1 SARS coronavirus protein. ; 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 Leonardo Vazquez . . . . 27177 2 Marcius Almeida . S. . . 27177 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 27177 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Universidade Federal do Rio de Janeiro' . 27177 2 . 'Centro de Ciencias da Saude' . 27177 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27177 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 330 27177 '15N chemical shifts' 112 27177 '1H chemical shifts' 318 27177 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 . . 2017-11-02 2017-07-13 update BMRB 'update entry citation' 27177 1 . . 2017-08-10 2017-07-13 original author 'original release' 27177 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27169 'solubility domain GB1' 27177 BMRB 27176 'truncated forms of the coronavirus nsp1 protein; nsp1(13-25)' 27177 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27177 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1371/journal.pone.0182132 _Citation.PubMed_ID 28750053 _Citation.Full_citation . _Citation.Title ; Comprehensive structural analysis of designed incomplete polypeptide chains of the replicase nonstructural protein 1 from the severe acute respiratory syndrome coronavirus ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS ONE' _Citation.Journal_name_full 'PloS one' _Citation.Journal_volume 12 _Citation.Journal_issue 7 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1932-6203 _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 e0182132 _Citation.Page_last e0182132 _Citation.Year 2017 _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 Leonardo Vazquez . . . . 27177 1 2 Luis Lima . MTR . . 27177 1 3 Marcius Almeida . S. . . 27177 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID coronavirus 27177 1 nsp1 27177 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27177 _Assembly.ID 1 _Assembly.Name 'Coronavirus nsp1 truncated proteins; nsp1(13-50)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'Coronavirus nsp1 truncated proteins; nsp1(13-50)' 1 $nsp1(13-50) A . yes 'partially disordered' no yes . . . 27177 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Virulence factor of the SARS coronavirus' 27177 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_nsp1(13-50) _Entity.Sf_category entity _Entity.Sf_framecode nsp1(13-50) _Entity.Entry_ID 27177 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name nsp1(13-50) _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 ; MGHVQLSLPVLQVRDVLVRG FGDSVEEALSEAREHLKNGT HGRAPIKVESQEHKLVPRGS FQYKLILNGKTLKGETTTEA VDAATAEKVFKQYANDNGVD GEWTYDDATKTFTVTESGHH HHHH ; _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 124 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 27177 1 2 . GLY . 27177 1 3 . HIS . 27177 1 4 . VAL . 27177 1 5 . GLN . 27177 1 6 . LEU . 27177 1 7 . SER . 27177 1 8 . LEU . 27177 1 9 . PRO . 27177 1 10 . VAL . 27177 1 11 . LEU . 27177 1 12 . GLN . 27177 1 13 . VAL . 27177 1 14 . ARG . 27177 1 15 . ASP . 27177 1 16 . VAL . 27177 1 17 . LEU . 27177 1 18 . VAL . 27177 1 19 . ARG . 27177 1 20 . GLY . 27177 1 21 . PHE . 27177 1 22 . GLY . 27177 1 23 . ASP . 27177 1 24 . SER . 27177 1 25 . VAL . 27177 1 26 . GLU . 27177 1 27 . GLU . 27177 1 28 . ALA . 27177 1 29 . LEU . 27177 1 30 . SER . 27177 1 31 . GLU . 27177 1 32 . ALA . 27177 1 33 . ARG . 27177 1 34 . GLU . 27177 1 35 . HIS . 27177 1 36 . LEU . 27177 1 37 . LYS . 27177 1 38 . ASN . 27177 1 39 . GLY . 27177 1 40 . THR . 27177 1 41 . HIS . 27177 1 42 . GLY . 27177 1 43 . ARG . 27177 1 44 . ALA . 27177 1 45 . PRO . 27177 1 46 . ILE . 27177 1 47 . LYS . 27177 1 48 . VAL . 27177 1 49 . GLU . 27177 1 50 . SER . 27177 1 51 . GLN . 27177 1 52 . GLU . 27177 1 53 . HIS . 27177 1 54 . LYS . 27177 1 55 . LEU . 27177 1 56 . VAL . 27177 1 57 . PRO . 27177 1 58 . ARG . 27177 1 59 . GLY . 27177 1 60 . SER . 27177 1 61 . PHE . 27177 1 62 . GLN . 27177 1 63 . TYR . 27177 1 64 . LYS . 27177 1 65 . LEU . 27177 1 66 . ILE . 27177 1 67 . LEU . 27177 1 68 . ASN . 27177 1 69 . GLY . 27177 1 70 . LYS . 27177 1 71 . THR . 27177 1 72 . LEU . 27177 1 73 . LYS . 27177 1 74 . GLY . 27177 1 75 . GLU . 27177 1 76 . THR . 27177 1 77 . THR . 27177 1 78 . THR . 27177 1 79 . GLU . 27177 1 80 . ALA . 27177 1 81 . VAL . 27177 1 82 . ASP . 27177 1 83 . ALA . 27177 1 84 . ALA . 27177 1 85 . THR . 27177 1 86 . ALA . 27177 1 87 . GLU . 27177 1 88 . LYS . 27177 1 89 . VAL . 27177 1 90 . PHE . 27177 1 91 . LYS . 27177 1 92 . GLN . 27177 1 93 . TYR . 27177 1 94 . ALA . 27177 1 95 . ASN . 27177 1 96 . ASP . 27177 1 97 . ASN . 27177 1 98 . GLY . 27177 1 99 . VAL . 27177 1 100 . ASP . 27177 1 101 . GLY . 27177 1 102 . GLU . 27177 1 103 . TRP . 27177 1 104 . THR . 27177 1 105 . TYR . 27177 1 106 . ASP . 27177 1 107 . ASP . 27177 1 108 . ALA . 27177 1 109 . THR . 27177 1 110 . LYS . 27177 1 111 . THR . 27177 1 112 . PHE . 27177 1 113 . THR . 27177 1 114 . VAL . 27177 1 115 . THR . 27177 1 116 . GLU . 27177 1 117 . SER . 27177 1 118 . GLY . 27177 1 119 . HIS . 27177 1 120 . HIS . 27177 1 121 . HIS . 27177 1 122 . HIS . 27177 1 123 . HIS . 27177 1 124 . HIS . 27177 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 27177 1 . GLY 2 2 27177 1 . HIS 3 3 27177 1 . VAL 4 4 27177 1 . GLN 5 5 27177 1 . LEU 6 6 27177 1 . SER 7 7 27177 1 . LEU 8 8 27177 1 . PRO 9 9 27177 1 . VAL 10 10 27177 1 . LEU 11 11 27177 1 . GLN 12 12 27177 1 . VAL 13 13 27177 1 . ARG 14 14 27177 1 . ASP 15 15 27177 1 . VAL 16 16 27177 1 . LEU 17 17 27177 1 . VAL 18 18 27177 1 . ARG 19 19 27177 1 . GLY 20 20 27177 1 . PHE 21 21 27177 1 . GLY 22 22 27177 1 . ASP 23 23 27177 1 . SER 24 24 27177 1 . VAL 25 25 27177 1 . GLU 26 26 27177 1 . GLU 27 27 27177 1 . ALA 28 28 27177 1 . LEU 29 29 27177 1 . SER 30 30 27177 1 . GLU 31 31 27177 1 . ALA 32 32 27177 1 . ARG 33 33 27177 1 . GLU 34 34 27177 1 . HIS 35 35 27177 1 . LEU 36 36 27177 1 . LYS 37 37 27177 1 . ASN 38 38 27177 1 . GLY 39 39 27177 1 . THR 40 40 27177 1 . HIS 41 41 27177 1 . GLY 42 42 27177 1 . ARG 43 43 27177 1 . ALA 44 44 27177 1 . PRO 45 45 27177 1 . ILE 46 46 27177 1 . LYS 47 47 27177 1 . VAL 48 48 27177 1 . GLU 49 49 27177 1 . SER 50 50 27177 1 . GLN 51 51 27177 1 . GLU 52 52 27177 1 . HIS 53 53 27177 1 . LYS 54 54 27177 1 . LEU 55 55 27177 1 . VAL 56 56 27177 1 . PRO 57 57 27177 1 . ARG 58 58 27177 1 . GLY 59 59 27177 1 . SER 60 60 27177 1 . PHE 61 61 27177 1 . GLN 62 62 27177 1 . TYR 63 63 27177 1 . LYS 64 64 27177 1 . LEU 65 65 27177 1 . ILE 66 66 27177 1 . LEU 67 67 27177 1 . ASN 68 68 27177 1 . GLY 69 69 27177 1 . LYS 70 70 27177 1 . THR 71 71 27177 1 . LEU 72 72 27177 1 . LYS 73 73 27177 1 . GLY 74 74 27177 1 . GLU 75 75 27177 1 . THR 76 76 27177 1 . THR 77 77 27177 1 . THR 78 78 27177 1 . GLU 79 79 27177 1 . ALA 80 80 27177 1 . VAL 81 81 27177 1 . ASP 82 82 27177 1 . ALA 83 83 27177 1 . ALA 84 84 27177 1 . THR 85 85 27177 1 . ALA 86 86 27177 1 . GLU 87 87 27177 1 . LYS 88 88 27177 1 . VAL 89 89 27177 1 . PHE 90 90 27177 1 . LYS 91 91 27177 1 . GLN 92 92 27177 1 . TYR 93 93 27177 1 . ALA 94 94 27177 1 . ASN 95 95 27177 1 . ASP 96 96 27177 1 . ASN 97 97 27177 1 . GLY 98 98 27177 1 . VAL 99 99 27177 1 . ASP 100 100 27177 1 . GLY 101 101 27177 1 . GLU 102 102 27177 1 . TRP 103 103 27177 1 . THR 104 104 27177 1 . TYR 105 105 27177 1 . ASP 106 106 27177 1 . ASP 107 107 27177 1 . ALA 108 108 27177 1 . THR 109 109 27177 1 . LYS 110 110 27177 1 . THR 111 111 27177 1 . PHE 112 112 27177 1 . THR 113 113 27177 1 . VAL 114 114 27177 1 . THR 115 115 27177 1 . GLU 116 116 27177 1 . SER 117 117 27177 1 . GLY 118 118 27177 1 . HIS 119 119 27177 1 . HIS 120 120 27177 1 . HIS 121 121 27177 1 . HIS 122 122 27177 1 . HIS 123 123 27177 1 . HIS 124 124 27177 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 27177 _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 $nsp1(13-50) . 227859 virus . 'SARS coronavirus' 'SARS coronavirus' . . Viruses . SARS coronavirus . . . . . . . . . . . . . 27177 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 27177 _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 $nsp1(13-50) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . pET-25(+) . . . 27177 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_All_samples _Sample.Sf_category sample _Sample.Sf_framecode All_samples _Sample.Entry_ID 27177 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'potassium phosphate' 'natural abundance' . . . . . . 2 . . mM . . . . 27177 1 2 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 27177 1 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 27177 1 4 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 27177 1 5 nsp1(13-50) '[U-13C; U-15N]' . . 1 $nsp1(13-50) . . 2 . . mM . . . . 27177 1 stop_ save_ ####################### # Sample conditions # ####################### save_Condition_of_all_samples _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Condition_of_all_samples _Sample_condition_list.Entry_ID 27177 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; The condition described here were applied exactly the same for all samples deposited. ; 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' 250 . mM 27177 1 pH 7.0 . pH 27177 1 pressure 1 . atm 27177 1 temperature 298 . K 27177 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 27177 _Software.ID 1 _Software.Type . _Software.Name XEASY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 27177 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27177 1 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 27177 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27177 _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 . 800 . . . 27177 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 27177 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $All_samples isotropic . . 1 $Condition_of_all_samples . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27177 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $All_samples isotropic . . 1 $Condition_of_all_samples . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27177 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $All_samples isotropic . . 1 $Condition_of_all_samples . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27177 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $All_samples isotropic . . 1 $Condition_of_all_samples . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27177 1 5 '3D HNCACB' no . . . . . . . . . . 1 $All_samples isotropic . . 1 $Condition_of_all_samples . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27177 1 6 '3D HNCO' no . . . . . . . . . . 1 $All_samples isotropic . . 1 $Condition_of_all_samples . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27177 1 7 '3D HNCA' no . . . . . . . . . . 1 $All_samples isotropic . . 1 $Condition_of_all_samples . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27177 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $All_samples isotropic . . 1 $Condition_of_all_samples . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27177 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 27177 _Chem_shift_reference.ID 1 _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 . . . . . 27177 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27177 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27177 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 27177 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Condition_of_all_samples _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' . . . 27177 1 4 '3D CBCA(CO)NH' . . . 27177 1 5 '3D HNCACB' . . . 27177 1 6 '3D HNCO' . . . 27177 1 7 '3D HNCA' . . . 27177 1 8 '3D HBHA(CO)NH' . . . 27177 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 $XEASY . . 27177 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 HIS HA H 1 4.591 0.020 . 1 . . . . . 3 HIS HA . 27177 1 2 . 1 1 3 3 HIS CA C 13 56.294 0.3 . 1 . . . . . 3 HIS CA . 27177 1 3 . 1 1 3 3 HIS CB C 13 30.512 0.3 . 1 . . . . . 3 HIS CB . 27177 1 4 . 1 1 4 4 VAL H H 1 8.191 0.020 . 1 . . . . . 4 VAL H . 27177 1 5 . 1 1 4 4 VAL HA H 1 3.967 0.020 . 1 . . . . . 4 VAL HA . 27177 1 6 . 1 1 4 4 VAL HB H 1 1.887 0.020 . 1 . . . . . 4 VAL HB . 27177 1 7 . 1 1 4 4 VAL CA C 13 62.487 0.3 . 1 . . . . . 4 VAL CA . 27177 1 8 . 1 1 4 4 VAL CB C 13 32.688 0.3 . 1 . . . . . 4 VAL CB . 27177 1 9 . 1 1 4 4 VAL N N 15 121.297 0.3 . 1 . . . . . 4 VAL N . 27177 1 10 . 1 1 5 5 GLN H H 1 8.480 0.020 . 1 . . . . . 5 GLN H . 27177 1 11 . 1 1 5 5 GLN HA H 1 4.253 0.020 . 1 . . . . . 5 GLN HA . 27177 1 12 . 1 1 5 5 GLN C C 13 175.893 0.3 . 1 . . . . . 5 GLN C . 27177 1 13 . 1 1 5 5 GLN CA C 13 55.638 0.3 . 1 . . . . . 5 GLN CA . 27177 1 14 . 1 1 5 5 GLN CB C 13 29.582 0.3 . 1 . . . . . 5 GLN CB . 27177 1 15 . 1 1 5 5 GLN N N 15 123.686 0.3 . 1 . . . . . 5 GLN N . 27177 1 16 . 1 1 6 6 LEU H H 1 8.346 0.020 . 1 . . . . . 6 LEU H . 27177 1 17 . 1 1 6 6 LEU HA H 1 4.236 0.020 . 1 . . . . . 6 LEU HA . 27177 1 18 . 1 1 6 6 LEU HB2 H 1 1.479 0.020 . 2 . . . . . 6 LEU HB2 . 27177 1 19 . 1 1 6 6 LEU HB3 H 1 1.533 0.020 . 2 . . . . . 6 LEU HB3 . 27177 1 20 . 1 1 6 6 LEU C C 13 177.331 0.3 . 1 . . . . . 6 LEU C . 27177 1 21 . 1 1 6 6 LEU CA C 13 54.792 0.3 . 1 . . . . . 6 LEU CA . 27177 1 22 . 1 1 6 6 LEU CB C 13 42.514 0.3 . 1 . . . . . 6 LEU CB . 27177 1 23 . 1 1 6 6 LEU N N 15 123.497 0.3 . 1 . . . . . 6 LEU N . 27177 1 24 . 1 1 7 7 SER H H 1 8.250 0.020 . 1 . . . . . 7 SER H . 27177 1 25 . 1 1 7 7 SER HA H 1 3.736 0.020 . 1 . . . . . 7 SER HA . 27177 1 26 . 1 1 7 7 SER C C 13 174.007 0.3 . 1 . . . . . 7 SER C . 27177 1 27 . 1 1 7 7 SER CA C 13 57.964 0.3 . 1 . . . . . 7 SER CA . 27177 1 28 . 1 1 7 7 SER CB C 13 63.901 0.3 . 1 . . . . . 7 SER CB . 27177 1 29 . 1 1 7 7 SER N N 15 115.422 0.3 . 1 . . . . . 7 SER N . 27177 1 30 . 1 1 8 8 LEU H H 1 8.164 0.020 . 1 . . . . . 8 LEU H . 27177 1 31 . 1 1 8 8 LEU HA H 1 4.526 0.020 . 1 . . . . . 8 LEU HA . 27177 1 32 . 1 1 8 8 LEU CA C 13 53.059 0.3 . 1 . . . . . 8 LEU CA . 27177 1 33 . 1 1 8 8 LEU CB C 13 41.778 0.3 . 1 . . . . . 8 LEU CB . 27177 1 34 . 1 1 8 8 LEU N N 15 123.749 0.3 . 1 . . . . . 8 LEU N . 27177 1 35 . 1 1 9 9 PRO HA H 1 4.323 0.020 . 1 . . . . . 9 PRO HA . 27177 1 36 . 1 1 9 9 PRO HB2 H 1 1.908 0.020 . 2 . . . . . 9 PRO HB2 . 27177 1 37 . 1 1 9 9 PRO HB3 H 1 2.428 0.020 . 2 . . . . . 9 PRO HB3 . 27177 1 38 . 1 1 9 9 PRO C C 13 177.811 0.3 . 1 . . . . . 9 PRO C . 27177 1 39 . 1 1 9 9 PRO CA C 13 59.281 0.3 . 1 . . . . . 9 PRO CA . 27177 1 40 . 1 1 9 9 PRO CB C 13 27.853 0.3 . 1 . . . . . 9 PRO CB . 27177 1 41 . 1 1 10 10 VAL H H 1 8.241 0.020 . 1 . . . . . 10 VAL H . 27177 1 42 . 1 1 10 10 VAL HA H 1 3.942 0.020 . 1 . . . . . 10 VAL HA . 27177 1 43 . 1 1 10 10 VAL HB H 1 1.910 0.020 . 1 . . . . . 10 VAL HB . 27177 1 44 . 1 1 10 10 VAL C C 13 176.330 0.3 . 1 . . . . . 10 VAL C . 27177 1 45 . 1 1 10 10 VAL CA C 13 62.186 0.3 . 1 . . . . . 10 VAL CA . 27177 1 46 . 1 1 10 10 VAL CB C 13 32.547 0.3 . 1 . . . . . 10 VAL CB . 27177 1 47 . 1 1 10 10 VAL N N 15 119.250 0.3 . 1 . . . . . 10 VAL N . 27177 1 48 . 1 1 11 11 LEU H H 1 8.245 0.020 . 1 . . . . . 11 LEU H . 27177 1 49 . 1 1 11 11 LEU HA H 1 4.279 0.020 . 1 . . . . . 11 LEU HA . 27177 1 50 . 1 1 11 11 LEU CA C 13 55.021 0.3 . 1 . . . . . 11 LEU CA . 27177 1 51 . 1 1 11 11 LEU CB C 13 42.465 0.3 . 1 . . . . . 11 LEU CB . 27177 1 52 . 1 1 11 11 LEU N N 15 124.729 0.3 . 1 . . . . . 11 LEU N . 27177 1 53 . 1 1 12 12 GLN H H 1 8.512 0.020 . 1 . . . . . 12 GLN H . 27177 1 54 . 1 1 12 12 GLN HA H 1 4.341 0.020 . 1 . . . . . 12 GLN HA . 27177 1 55 . 1 1 12 12 GLN CA C 13 56.153 0.3 . 1 . . . . . 12 GLN CA . 27177 1 56 . 1 1 12 12 GLN CB C 13 29.652 0.3 . 1 . . . . . 12 GLN CB . 27177 1 57 . 1 1 12 12 GLN N N 15 121.771 0.3 . 1 . . . . . 12 GLN N . 27177 1 58 . 1 1 13 13 VAL H H 1 8.194 0.020 . 1 . . . . . 13 VAL H . 27177 1 59 . 1 1 13 13 VAL HA H 1 4.016 0.020 . 1 . . . . . 13 VAL HA . 27177 1 60 . 1 1 13 13 VAL HB H 1 2.001 0.020 . 1 . . . . . 13 VAL HB . 27177 1 61 . 1 1 13 13 VAL CA C 13 62.834 0.3 . 1 . . . . . 13 VAL CA . 27177 1 62 . 1 1 13 13 VAL CB C 13 32.659 0.3 . 1 . . . . . 13 VAL CB . 27177 1 63 . 1 1 13 13 VAL N N 15 120.969 0.3 . 1 . . . . . 13 VAL N . 27177 1 64 . 1 1 14 14 ARG H H 1 8.342 0.020 . 1 . . . . . 14 ARG H . 27177 1 65 . 1 1 14 14 ARG CA C 13 56.100 0.3 . 1 . . . . . 14 ARG CA . 27177 1 66 . 1 1 14 14 ARG CB C 13 30.497 0.3 . 1 . . . . . 14 ARG CB . 27177 1 67 . 1 1 14 14 ARG N N 15 123.034 0.3 . 1 . . . . . 14 ARG N . 27177 1 68 . 1 1 15 15 ASP H H 1 8.402 0.020 . 1 . . . . . 15 ASP H . 27177 1 69 . 1 1 15 15 ASP HA H 1 4.503 0.020 . 1 . . . . . 15 ASP HA . 27177 1 70 . 1 1 15 15 ASP C C 13 176.311 0.3 . 1 . . . . . 15 ASP C . 27177 1 71 . 1 1 15 15 ASP CA C 13 54.341 0.3 . 1 . . . . . 15 ASP CA . 27177 1 72 . 1 1 15 15 ASP CB C 13 41.064 0.3 . 1 . . . . . 15 ASP CB . 27177 1 73 . 1 1 15 15 ASP N N 15 121.074 0.3 . 1 . . . . . 15 ASP N . 27177 1 74 . 1 1 16 16 VAL H H 1 7.990 0.020 . 1 . . . . . 16 VAL H . 27177 1 75 . 1 1 16 16 VAL HA H 1 3.979 0.020 . 1 . . . . . 16 VAL HA . 27177 1 76 . 1 1 16 16 VAL HB H 1 1.954 0.020 . 1 . . . . . 16 VAL HB . 27177 1 77 . 1 1 16 16 VAL CA C 13 62.268 0.3 . 1 . . . . . 16 VAL CA . 27177 1 78 . 1 1 16 16 VAL CB C 13 32.679 0.3 . 1 . . . . . 16 VAL CB . 27177 1 79 . 1 1 16 16 VAL N N 15 118.282 0.3 . 1 . . . . . 16 VAL N . 27177 1 80 . 1 1 17 17 LEU H H 1 8.215 0.020 . 1 . . . . . 17 LEU H . 27177 1 81 . 1 1 17 17 LEU HA H 1 4.248 0.020 . 1 . . . . . 17 LEU HA . 27177 1 82 . 1 1 17 17 LEU CA C 13 55.075 0.3 . 1 . . . . . 17 LEU CA . 27177 1 83 . 1 1 17 17 LEU CB C 13 42.051 0.3 . 1 . . . . . 17 LEU CB . 27177 1 84 . 1 1 17 17 LEU N N 15 123.622 0.3 . 1 . . . . . 17 LEU N . 27177 1 85 . 1 1 18 18 VAL H H 1 8.007 0.020 . 1 . . . . . 18 VAL H . 27177 1 86 . 1 1 18 18 VAL HA H 1 3.977 0.020 . 1 . . . . . 18 VAL HA . 27177 1 87 . 1 1 18 18 VAL HB H 1 1.948 0.020 . 1 . . . . . 18 VAL HB . 27177 1 88 . 1 1 18 18 VAL CA C 13 62.378 0.3 . 1 . . . . . 18 VAL CA . 27177 1 89 . 1 1 18 18 VAL CB C 13 32.469 0.3 . 1 . . . . . 18 VAL CB . 27177 1 90 . 1 1 18 18 VAL CG1 C 13 20.624 0.3 . 1 . . . . . 18 VAL CG1 . 27177 1 91 . 1 1 18 18 VAL CG2 C 13 21.087 0.3 . 1 . . . . . 18 VAL CG2 . 27177 1 92 . 1 1 18 18 VAL N N 15 120.219 0.3 . 1 . . . . . 18 VAL N . 27177 1 93 . 1 1 19 19 ARG H H 1 8.331 0.020 . 1 . . . . . 19 ARG H . 27177 1 94 . 1 1 19 19 ARG HA H 1 4.214 0.020 . 1 . . . . . 19 ARG HA . 27177 1 95 . 1 1 19 19 ARG CA C 13 56.315 0.3 . 1 . . . . . 19 ARG CA . 27177 1 96 . 1 1 19 19 ARG CB C 13 31.004 0.3 . 1 . . . . . 19 ARG CB . 27177 1 97 . 1 1 19 19 ARG N N 15 123.232 0.3 . 1 . . . . . 19 ARG N . 27177 1 98 . 1 1 20 20 GLY H H 1 8.555 0.020 . 1 . . . . . 20 GLY H . 27177 1 99 . 1 1 20 20 GLY C C 13 173.864 0.3 . 1 . . . . . 20 GLY C . 27177 1 100 . 1 1 20 20 GLY CA C 13 44.976 0.3 . 1 . . . . . 20 GLY CA . 27177 1 101 . 1 1 20 20 GLY N N 15 109.640 0.3 . 1 . . . . . 20 GLY N . 27177 1 102 . 1 1 21 21 PHE H H 1 8.150 0.020 . 1 . . . . . 21 PHE H . 27177 1 103 . 1 1 21 21 PHE HA H 1 4.476 0.020 . 1 . . . . . 21 PHE HA . 27177 1 104 . 1 1 21 21 PHE HB2 H 1 2.906 0.020 . 2 . . . . . 21 PHE HB2 . 27177 1 105 . 1 1 21 21 PHE HB3 H 1 3.052 0.020 . 2 . . . . . 21 PHE HB3 . 27177 1 106 . 1 1 21 21 PHE C C 13 176.575 0.3 . 1 . . . . . 21 PHE C . 27177 1 107 . 1 1 21 21 PHE CA C 13 58.004 0.3 . 1 . . . . . 21 PHE CA . 27177 1 108 . 1 1 21 21 PHE CB C 13 39.565 0.3 . 1 . . . . . 21 PHE CB . 27177 1 109 . 1 1 21 21 PHE N N 15 118.332 0.3 . 1 . . . . . 21 PHE N . 27177 1 110 . 1 1 22 22 GLY H H 1 8.409 0.020 . 1 . . . . . 22 GLY H . 27177 1 111 . 1 1 22 22 GLY HA2 H 1 3.728 0.020 . 2 . . . . . 22 GLY HA2 . 27177 1 112 . 1 1 22 22 GLY HA3 H 1 3.884 0.020 . 2 . . . . . 22 GLY HA3 . 27177 1 113 . 1 1 22 22 GLY CA C 13 45.309 0.3 . 1 . . . . . 22 GLY CA . 27177 1 114 . 1 1 22 22 GLY N N 15 109.212 0.3 . 1 . . . . . 22 GLY N . 27177 1 115 . 1 1 23 23 ASP H H 1 8.274 0.020 . 1 . . . . . 23 ASP H . 27177 1 116 . 1 1 23 23 ASP HA H 1 4.520 0.020 . 1 . . . . . 23 ASP HA . 27177 1 117 . 1 1 23 23 ASP C C 13 176.550 0.3 . 1 . . . . . 23 ASP C . 27177 1 118 . 1 1 23 23 ASP CA C 13 54.475 0.3 . 1 . . . . . 23 ASP CA . 27177 1 119 . 1 1 23 23 ASP CB C 13 41.316 0.3 . 1 . . . . . 23 ASP CB . 27177 1 120 . 1 1 23 23 ASP N N 15 118.723 0.3 . 1 . . . . . 23 ASP N . 27177 1 121 . 1 1 24 24 SER H H 1 8.232 0.020 . 1 . . . . . 24 SER H . 27177 1 122 . 1 1 24 24 SER HA H 1 4.372 0.020 . 1 . . . . . 24 SER HA . 27177 1 123 . 1 1 24 24 SER C C 13 175.063 0.3 . 1 . . . . . 24 SER C . 27177 1 124 . 1 1 24 24 SER CA C 13 58.684 0.3 . 1 . . . . . 24 SER CA . 27177 1 125 . 1 1 24 24 SER CB C 13 63.852 0.3 . 1 . . . . . 24 SER CB . 27177 1 126 . 1 1 24 24 SER N N 15 114.403 0.3 . 1 . . . . . 24 SER N . 27177 1 127 . 1 1 25 25 VAL H H 1 8.124 0.020 . 1 . . . . . 25 VAL H . 27177 1 128 . 1 1 25 25 VAL HA H 1 3.970 0.020 . 1 . . . . . 25 VAL HA . 27177 1 129 . 1 1 25 25 VAL HB H 1 2.001 0.020 . 1 . . . . . 25 VAL HB . 27177 1 130 . 1 1 25 25 VAL C C 13 176.778 0.3 . 1 . . . . . 25 VAL C . 27177 1 131 . 1 1 25 25 VAL CA C 13 63.077 0.3 . 1 . . . . . 25 VAL CA . 27177 1 132 . 1 1 25 25 VAL CB C 13 32.410 0.3 . 1 . . . . . 25 VAL CB . 27177 1 133 . 1 1 25 25 VAL N N 15 120.599 0.3 . 1 . . . . . 25 VAL N . 27177 1 134 . 1 1 26 26 GLU H H 1 8.352 0.020 . 1 . . . . . 26 GLU H . 27177 1 135 . 1 1 26 26 GLU HA H 1 4.105 0.020 . 1 . . . . . 26 GLU HA . 27177 1 136 . 1 1 26 26 GLU C C 13 176.473 0.3 . 1 . . . . . 26 GLU C . 27177 1 137 . 1 1 26 26 GLU CA C 13 57.352 0.3 . 1 . . . . . 26 GLU CA . 27177 1 138 . 1 1 26 26 GLU CB C 13 29.933 0.3 . 1 . . . . . 26 GLU CB . 27177 1 139 . 1 1 26 26 GLU CG C 13 36.180 0.3 . 1 . . . . . 26 GLU CG . 27177 1 140 . 1 1 26 26 GLU N N 15 121.841 0.3 . 1 . . . . . 26 GLU N . 27177 1 141 . 1 1 27 27 GLU HA H 1 4.073 0.020 . 1 . . . . . 27 GLU HA . 27177 1 142 . 1 1 27 27 GLU HB2 H 1 1.856 0.020 . 1 . . . . . 27 GLU HB2 . 27177 1 143 . 1 1 27 27 GLU HB3 H 1 1.856 0.020 . 1 . . . . . 27 GLU HB3 . 27177 1 144 . 1 1 27 27 GLU C C 13 176.987 0.3 . 1 . . . . . 27 GLU C . 27177 1 145 . 1 1 27 27 GLU CA C 13 57.331 0.3 . 1 . . . . . 27 GLU CA . 27177 1 146 . 1 1 27 27 GLU CB C 13 30.079 0.3 . 1 . . . . . 27 GLU CB . 27177 1 147 . 1 1 28 28 ALA H H 1 8.163 0.020 . 1 . . . . . 28 ALA H . 27177 1 148 . 1 1 28 28 ALA HA H 1 4.192 0.020 . 1 . . . . . 28 ALA HA . 27177 1 149 . 1 1 28 28 ALA C C 13 178.705 0.3 . 1 . . . . . 28 ALA C . 27177 1 150 . 1 1 28 28 ALA CA C 13 52.949 0.3 . 1 . . . . . 28 ALA CA . 27177 1 151 . 1 1 28 28 ALA CB C 13 18.723 0.3 . 1 . . . . . 28 ALA CB . 27177 1 152 . 1 1 28 28 ALA N N 15 122.840 0.3 . 1 . . . . . 28 ALA N . 27177 1 153 . 1 1 29 29 LEU H H 1 8.102 0.020 . 1 . . . . . 29 LEU H . 27177 1 154 . 1 1 29 29 LEU HA H 1 4.198 0.020 . 1 . . . . . 29 LEU HA . 27177 1 155 . 1 1 29 29 LEU HB2 H 1 1.455 0.020 . 2 . . . . . 29 LEU HB2 . 27177 1 156 . 1 1 29 29 LEU HB3 H 1 1.527 0.020 . 2 . . . . . 29 LEU HB3 . 27177 1 157 . 1 1 29 29 LEU C C 13 178.215 0.3 . 1 . . . . . 29 LEU C . 27177 1 158 . 1 1 29 29 LEU CA C 13 55.806 0.3 . 1 . . . . . 29 LEU CA . 27177 1 159 . 1 1 29 29 LEU CB C 13 42.072 0.3 . 1 . . . . . 29 LEU CB . 27177 1 160 . 1 1 29 29 LEU CD1 C 13 23.411 0.3 . 1 . . . . . 29 LEU CD1 . 27177 1 161 . 1 1 29 29 LEU N N 15 119.286 0.3 . 1 . . . . . 29 LEU N . 27177 1 162 . 1 1 30 30 SER H H 1 8.119 0.020 . 1 . . . . . 30 SER H . 27177 1 163 . 1 1 30 30 SER HA H 1 4.225 0.020 . 1 . . . . . 30 SER HA . 27177 1 164 . 1 1 30 30 SER C C 13 175.434 0.3 . 1 . . . . . 30 SER C . 27177 1 165 . 1 1 30 30 SER CA C 13 59.337 0.3 . 1 . . . . . 30 SER CA . 27177 1 166 . 1 1 30 30 SER CB C 13 63.654 0.3 . 1 . . . . . 30 SER CB . 27177 1 167 . 1 1 30 30 SER N N 15 114.481 0.3 . 1 . . . . . 30 SER N . 27177 1 168 . 1 1 31 31 GLU H H 1 8.272 0.020 . 1 . . . . . 31 GLU H . 27177 1 169 . 1 1 31 31 GLU HA H 1 4.092 0.020 . 1 . . . . . 31 GLU HA . 27177 1 170 . 1 1 31 31 GLU CA C 13 57.398 0.3 . 1 . . . . . 31 GLU CA . 27177 1 171 . 1 1 31 31 GLU CB C 13 29.823 0.3 . 1 . . . . . 31 GLU CB . 27177 1 172 . 1 1 31 31 GLU N N 15 120.988 0.3 . 1 . . . . . 31 GLU N . 27177 1 173 . 1 1 32 32 ALA H H 1 8.071 0.020 . 1 . . . . . 32 ALA H . 27177 1 174 . 1 1 32 32 ALA HA H 1 4.154 0.020 . 1 . . . . . 32 ALA HA . 27177 1 175 . 1 1 32 32 ALA C C 13 178.667 0.3 . 1 . . . . . 32 ALA C . 27177 1 176 . 1 1 32 32 ALA CA C 13 53.353 0.3 . 1 . . . . . 32 ALA CA . 27177 1 177 . 1 1 32 32 ALA CB C 13 18.733 0.3 . 1 . . . . . 32 ALA CB . 27177 1 178 . 1 1 32 32 ALA N N 15 122.076 0.3 . 1 . . . . . 32 ALA N . 27177 1 179 . 1 1 33 33 ARG H H 1 8.065 0.020 . 1 . . . . . 33 ARG H . 27177 1 180 . 1 1 33 33 ARG HA H 1 4.130 0.020 . 1 . . . . . 33 ARG HA . 27177 1 181 . 1 1 33 33 ARG HB2 H 1 1.658 0.020 . 2 . . . . . 33 ARG HB2 . 27177 1 182 . 1 1 33 33 ARG HB3 H 1 1.753 0.020 . 2 . . . . . 33 ARG HB3 . 27177 1 183 . 1 1 33 33 ARG C C 13 177.193 0.3 . 1 . . . . . 33 ARG C . 27177 1 184 . 1 1 33 33 ARG CA C 13 57.081 0.3 . 1 . . . . . 33 ARG CA . 27177 1 185 . 1 1 33 33 ARG CB C 13 30.822 0.3 . 1 . . . . . 33 ARG CB . 27177 1 186 . 1 1 33 33 ARG CG C 13 26.964 0.3 . 1 . . . . . 33 ARG CG . 27177 1 187 . 1 1 33 33 ARG CD C 13 43.256 0.3 . 1 . . . . . 33 ARG CD . 27177 1 188 . 1 1 33 33 ARG N N 15 117.499 0.3 . 1 . . . . . 33 ARG N . 27177 1 189 . 1 1 34 34 GLU H H 1 8.205 0.020 . 1 . . . . . 34 GLU H . 27177 1 190 . 1 1 34 34 GLU HA H 1 4.069 0.020 . 1 . . . . . 34 GLU HA . 27177 1 191 . 1 1 34 34 GLU CA C 13 57.309 0.3 . 1 . . . . . 34 GLU CA . 27177 1 192 . 1 1 34 34 GLU CB C 13 29.832 0.3 . 1 . . . . . 34 GLU CB . 27177 1 193 . 1 1 34 34 GLU N N 15 119.026 0.3 . 1 . . . . . 34 GLU N . 27177 1 194 . 1 1 35 35 HIS H H 1 8.273 0.020 . 1 . . . . . 35 HIS H . 27177 1 195 . 1 1 35 35 HIS HA H 1 4.508 0.020 . 1 . . . . . 35 HIS HA . 27177 1 196 . 1 1 35 35 HIS CA C 13 56.123 0.3 . 1 . . . . . 35 HIS CA . 27177 1 197 . 1 1 35 35 HIS CB C 13 30.097 0.3 . 1 . . . . . 35 HIS CB . 27177 1 198 . 1 1 35 35 HIS N N 15 120.375 0.3 . 1 . . . . . 35 HIS N . 27177 1 199 . 1 1 36 36 LEU H H 1 8.001 0.020 . 1 . . . . . 36 LEU H . 27177 1 200 . 1 1 36 36 LEU HA H 1 4.194 0.020 . 1 . . . . . 36 LEU HA . 27177 1 201 . 1 1 36 36 LEU CA C 13 55.417 0.3 . 1 . . . . . 36 LEU CA . 27177 1 202 . 1 1 36 36 LEU CB C 13 42.072 0.3 . 1 . . . . . 36 LEU CB . 27177 1 203 . 1 1 36 36 LEU N N 15 121.216 0.3 . 1 . . . . . 36 LEU N . 27177 1 204 . 1 1 37 37 LYS H H 1 8.242 0.020 . 1 . . . . . 37 LYS H . 27177 1 205 . 1 1 37 37 LYS HA H 1 4.175 0.020 . 1 . . . . . 37 LYS HA . 27177 1 206 . 1 1 37 37 LYS C C 13 176.622 0.3 . 1 . . . . . 37 LYS C . 27177 1 207 . 1 1 37 37 LYS CA C 13 56.766 0.3 . 1 . . . . . 37 LYS CA . 27177 1 208 . 1 1 37 37 LYS CB C 13 32.714 0.3 . 1 . . . . . 37 LYS CB . 27177 1 209 . 1 1 37 37 LYS N N 15 120.209 0.3 . 1 . . . . . 37 LYS N . 27177 1 210 . 1 1 38 38 ASN H H 1 8.350 0.020 . 1 . . . . . 38 ASN H . 27177 1 211 . 1 1 38 38 ASN HA H 1 4.601 0.020 . 1 . . . . . 38 ASN HA . 27177 1 212 . 1 1 38 38 ASN C C 13 175.981 0.3 . 1 . . . . . 38 ASN C . 27177 1 213 . 1 1 38 38 ASN CA C 13 53.391 0.3 . 1 . . . . . 38 ASN CA . 27177 1 214 . 1 1 38 38 ASN CB C 13 38.887 0.3 . 1 . . . . . 38 ASN CB . 27177 1 215 . 1 1 38 38 ASN N N 15 117.714 0.3 . 1 . . . . . 38 ASN N . 27177 1 216 . 1 1 39 39 GLY H H 1 8.237 0.020 . 1 . . . . . 39 GLY H . 27177 1 217 . 1 1 39 39 GLY C C 13 174.629 0.3 . 1 . . . . . 39 GLY C . 27177 1 218 . 1 1 39 39 GLY CA C 13 45.413 0.3 . 1 . . . . . 39 GLY CA . 27177 1 219 . 1 1 39 39 GLY N N 15 107.416 0.3 . 1 . . . . . 39 GLY N . 27177 1 220 . 1 1 40 40 THR H H 1 8.022 0.020 . 1 . . . . . 40 THR H . 27177 1 221 . 1 1 40 40 THR HA H 1 4.177 0.020 . 1 . . . . . 40 THR HA . 27177 1 222 . 1 1 40 40 THR HB H 1 4.221 0.020 . 1 . . . . . 40 THR HB . 27177 1 223 . 1 1 40 40 THR C C 13 174.881 0.3 . 1 . . . . . 40 THR C . 27177 1 224 . 1 1 40 40 THR CA C 13 61.915 0.3 . 1 . . . . . 40 THR CA . 27177 1 225 . 1 1 40 40 THR CB C 13 69.691 0.3 . 1 . . . . . 40 THR CB . 27177 1 226 . 1 1 40 40 THR N N 15 111.515 0.3 . 1 . . . . . 40 THR N . 27177 1 227 . 1 1 41 41 HIS H H 1 8.349 0.020 . 1 . . . . . 41 HIS H . 27177 1 228 . 1 1 41 41 HIS HA H 1 4.518 0.020 . 1 . . . . . 41 HIS HA . 27177 1 229 . 1 1 41 41 HIS HB2 H 1 3.021 0.020 . 2 . . . . . 41 HIS HB2 . 27177 1 230 . 1 1 41 41 HIS HB3 H 1 3.083 0.020 . 2 . . . . . 41 HIS HB3 . 27177 1 231 . 1 1 41 41 HIS C C 13 175.814 0.3 . 1 . . . . . 41 HIS C . 27177 1 232 . 1 1 41 41 HIS CA C 13 56.339 0.3 . 1 . . . . . 41 HIS CA . 27177 1 233 . 1 1 41 41 HIS CB C 13 30.104 0.3 . 1 . . . . . 41 HIS CB . 27177 1 234 . 1 1 41 41 HIS N N 15 119.624 0.3 . 1 . . . . . 41 HIS N . 27177 1 235 . 1 1 42 42 GLY H H 1 8.327 0.020 . 1 . . . . . 42 GLY H . 27177 1 236 . 1 1 42 42 GLY C C 13 174.102 0.3 . 1 . . . . . 42 GLY C . 27177 1 237 . 1 1 42 42 GLY CA C 13 45.211 0.3 . 1 . . . . . 42 GLY CA . 27177 1 238 . 1 1 42 42 GLY N N 15 108.444 0.3 . 1 . . . . . 42 GLY N . 27177 1 239 . 1 1 43 43 ARG H H 1 8.134 0.020 . 1 . . . . . 43 ARG H . 27177 1 240 . 1 1 43 43 ARG HA H 1 4.255 0.020 . 1 . . . . . 43 ARG HA . 27177 1 241 . 1 1 43 43 ARG CA C 13 55.629 0.3 . 1 . . . . . 43 ARG CA . 27177 1 242 . 1 1 43 43 ARG CB C 13 31.004 0.3 . 1 . . . . . 43 ARG CB . 27177 1 243 . 1 1 43 43 ARG N N 15 119.050 0.3 . 1 . . . . . 43 ARG N . 27177 1 244 . 1 1 44 44 ALA H H 1 8.297 0.020 . 1 . . . . . 44 ALA H . 27177 1 245 . 1 1 44 44 ALA CA C 13 50.509 0.3 . 1 . . . . . 44 ALA CA . 27177 1 246 . 1 1 44 44 ALA CB C 13 18.038 0.3 . 1 . . . . . 44 ALA CB . 27177 1 247 . 1 1 44 44 ALA N N 15 125.388 0.3 . 1 . . . . . 44 ALA N . 27177 1 248 . 1 1 45 45 PRO HA H 1 4.339 0.020 . 1 . . . . . 45 PRO HA . 27177 1 249 . 1 1 45 45 PRO HB2 H 1 1.742 0.020 . 2 . . . . . 45 PRO HB2 . 27177 1 250 . 1 1 45 45 PRO HB3 H 1 2.157 0.020 . 2 . . . . . 45 PRO HB3 . 27177 1 251 . 1 1 45 45 PRO C C 13 176.890 0.3 . 1 . . . . . 45 PRO C . 27177 1 252 . 1 1 45 45 PRO CA C 13 62.750 0.3 . 1 . . . . . 45 PRO CA . 27177 1 253 . 1 1 45 45 PRO CB C 13 31.878 0.3 . 1 . . . . . 45 PRO CB . 27177 1 254 . 1 1 46 46 ILE H H 1 8.133 0.020 . 1 . . . . . 46 ILE H . 27177 1 255 . 1 1 46 46 ILE HA H 1 4.007 0.020 . 1 . . . . . 46 ILE HA . 27177 1 256 . 1 1 46 46 ILE HB H 1 1.695 0.020 . 1 . . . . . 46 ILE HB . 27177 1 257 . 1 1 46 46 ILE C C 13 176.258 0.3 . 1 . . . . . 46 ILE C . 27177 1 258 . 1 1 46 46 ILE CA C 13 61.254 0.3 . 1 . . . . . 46 ILE CA . 27177 1 259 . 1 1 46 46 ILE CB C 13 38.802 0.3 . 1 . . . . . 46 ILE CB . 27177 1 260 . 1 1 46 46 ILE N N 15 119.681 0.3 . 1 . . . . . 46 ILE N . 27177 1 261 . 1 1 47 47 LYS H H 1 8.310 0.020 . 1 . . . . . 47 LYS H . 27177 1 262 . 1 1 47 47 LYS HA H 1 4.284 0.020 . 1 . . . . . 47 LYS HA . 27177 1 263 . 1 1 47 47 LYS C C 13 176.284 0.3 . 1 . . . . . 47 LYS C . 27177 1 264 . 1 1 47 47 LYS CA C 13 56.172 0.3 . 1 . . . . . 47 LYS CA . 27177 1 265 . 1 1 47 47 LYS CB C 13 33.140 0.3 . 1 . . . . . 47 LYS CB . 27177 1 266 . 1 1 47 47 LYS N N 15 124.704 0.3 . 1 . . . . . 47 LYS N . 27177 1 267 . 1 1 48 48 VAL H H 1 8.236 0.020 . 1 . . . . . 48 VAL H . 27177 1 268 . 1 1 48 48 VAL HA H 1 3.989 0.020 . 1 . . . . . 48 VAL HA . 27177 1 269 . 1 1 48 48 VAL HB H 1 1.939 0.020 . 1 . . . . . 48 VAL HB . 27177 1 270 . 1 1 48 48 VAL C C 13 176.330 0.3 . 1 . . . . . 48 VAL C . 27177 1 271 . 1 1 48 48 VAL CA C 13 62.352 0.3 . 1 . . . . . 48 VAL CA . 27177 1 272 . 1 1 48 48 VAL CB C 13 32.601 0.3 . 1 . . . . . 48 VAL CB . 27177 1 273 . 1 1 48 48 VAL N N 15 121.756 0.3 . 1 . . . . . 48 VAL N . 27177 1 274 . 1 1 49 49 GLU H H 1 8.553 0.020 . 1 . . . . . 49 GLU H . 27177 1 275 . 1 1 49 49 GLU HA H 1 4.238 0.020 . 1 . . . . . 49 GLU HA . 27177 1 276 . 1 1 49 49 GLU HB2 H 1 1.826 0.020 . 2 . . . . . 49 GLU HB2 . 27177 1 277 . 1 1 49 49 GLU HB3 H 1 1.949 0.020 . 2 . . . . . 49 GLU HB3 . 27177 1 278 . 1 1 49 49 GLU C C 13 176.588 0.3 . 1 . . . . . 49 GLU C . 27177 1 279 . 1 1 49 49 GLU CA C 13 56.668 0.3 . 1 . . . . . 49 GLU CA . 27177 1 280 . 1 1 49 49 GLU CB C 13 30.198 0.3 . 1 . . . . . 49 GLU CB . 27177 1 281 . 1 1 49 49 GLU N N 15 123.820 0.3 . 1 . . . . . 49 GLU N . 27177 1 282 . 1 1 50 50 SER H H 1 8.359 0.020 . 1 . . . . . 50 SER H . 27177 1 283 . 1 1 50 50 SER HA H 1 4.327 0.020 . 1 . . . . . 50 SER HA . 27177 1 284 . 1 1 50 50 SER HB2 H 1 3.748 0.020 . 2 . . . . . 50 SER HB2 . 27177 1 285 . 1 1 50 50 SER HB3 H 1 3.795 0.020 . 2 . . . . . 50 SER HB3 . 27177 1 286 . 1 1 50 50 SER C C 13 174.939 0.3 . 1 . . . . . 50 SER C . 27177 1 287 . 1 1 50 50 SER CA C 13 58.517 0.3 . 1 . . . . . 50 SER CA . 27177 1 288 . 1 1 50 50 SER CB C 13 63.873 0.3 . 1 . . . . . 50 SER CB . 27177 1 289 . 1 1 50 50 SER N N 15 115.641 0.3 . 1 . . . . . 50 SER N . 27177 1 290 . 1 1 51 51 GLN H H 1 8.446 0.020 . 1 . . . . . 51 GLN H . 27177 1 291 . 1 1 51 51 GLN HA H 1 4.234 0.020 . 1 . . . . . 51 GLN HA . 27177 1 292 . 1 1 51 51 GLN HB2 H 1 1.826 0.020 . 2 . . . . . 51 GLN HB2 . 27177 1 293 . 1 1 51 51 GLN HB3 H 1 2.022 0.020 . 2 . . . . . 51 GLN HB3 . 27177 1 294 . 1 1 51 51 GLN C C 13 176.199 0.3 . 1 . . . . . 51 GLN C . 27177 1 295 . 1 1 51 51 GLN CA C 13 55.884 0.3 . 1 . . . . . 51 GLN CA . 27177 1 296 . 1 1 51 51 GLN CB C 13 29.154 0.3 . 1 . . . . . 51 GLN CB . 27177 1 297 . 1 1 51 51 GLN N N 15 120.776 0.3 . 1 . . . . . 51 GLN N . 27177 1 298 . 1 1 52 52 GLU H H 1 8.310 0.020 . 1 . . . . . 52 GLU H . 27177 1 299 . 1 1 52 52 GLU HA H 1 4.091 0.020 . 1 . . . . . 52 GLU HA . 27177 1 300 . 1 1 52 52 GLU C C 13 176.560 0.3 . 1 . . . . . 52 GLU C . 27177 1 301 . 1 1 52 52 GLU CA C 13 56.868 0.3 . 1 . . . . . 52 GLU CA . 27177 1 302 . 1 1 52 52 GLU CB C 13 29.976 0.3 . 1 . . . . . 52 GLU CB . 27177 1 303 . 1 1 52 52 GLU N N 15 119.795 0.3 . 1 . . . . . 52 GLU N . 27177 1 304 . 1 1 53 53 HIS H H 1 8.294 0.020 . 1 . . . . . 53 HIS H . 27177 1 305 . 1 1 53 53 HIS HA H 1 4.522 0.020 . 1 . . . . . 53 HIS HA . 27177 1 306 . 1 1 53 53 HIS HB2 H 1 2.982 0.020 . 2 . . . . . 53 HIS HB2 . 27177 1 307 . 1 1 53 53 HIS HB3 H 1 3.069 0.020 . 2 . . . . . 53 HIS HB3 . 27177 1 308 . 1 1 53 53 HIS C C 13 175.080 0.3 . 1 . . . . . 53 HIS C . 27177 1 309 . 1 1 53 53 HIS CA C 13 55.731 0.3 . 1 . . . . . 53 HIS CA . 27177 1 310 . 1 1 53 53 HIS CB C 13 29.837 0.3 . 1 . . . . . 53 HIS CB . 27177 1 311 . 1 1 53 53 HIS N N 15 118.434 0.3 . 1 . . . . . 53 HIS N . 27177 1 312 . 1 1 54 54 LYS H H 1 8.122 0.020 . 1 . . . . . 54 LYS H . 27177 1 313 . 1 1 54 54 LYS HA H 1 4.184 0.020 . 1 . . . . . 54 LYS HA . 27177 1 314 . 1 1 54 54 LYS C C 13 176.284 0.3 . 1 . . . . . 54 LYS C . 27177 1 315 . 1 1 54 54 LYS CA C 13 56.195 0.3 . 1 . . . . . 54 LYS CA . 27177 1 316 . 1 1 54 54 LYS CB C 13 32.997 0.3 . 1 . . . . . 54 LYS CB . 27177 1 317 . 1 1 54 54 LYS N N 15 120.955 0.3 . 1 . . . . . 54 LYS N . 27177 1 318 . 1 1 55 55 LEU H H 1 8.216 0.020 . 1 . . . . . 55 LEU H . 27177 1 319 . 1 1 55 55 LEU HA H 1 4.263 0.020 . 1 . . . . . 55 LEU HA . 27177 1 320 . 1 1 55 55 LEU C C 13 177.107 0.3 . 1 . . . . . 55 LEU C . 27177 1 321 . 1 1 55 55 LEU CA C 13 54.898 0.3 . 1 . . . . . 55 LEU CA . 27177 1 322 . 1 1 55 55 LEU CB C 13 42.246 0.3 . 1 . . . . . 55 LEU CB . 27177 1 323 . 1 1 55 55 LEU N N 15 122.037 0.3 . 1 . . . . . 55 LEU N . 27177 1 324 . 1 1 56 56 VAL H H 1 8.087 0.020 . 1 . . . . . 56 VAL H . 27177 1 325 . 1 1 56 56 VAL HA H 1 4.306 0.020 . 1 . . . . . 56 VAL HA . 27177 1 326 . 1 1 56 56 VAL CA C 13 59.783 0.3 . 1 . . . . . 56 VAL CA . 27177 1 327 . 1 1 56 56 VAL CB C 13 32.579 0.3 . 1 . . . . . 56 VAL CB . 27177 1 328 . 1 1 56 56 VAL N N 15 122.006 0.3 . 1 . . . . . 56 VAL N . 27177 1 329 . 1 1 57 57 PRO HA H 1 4.285 0.020 . 1 . . . . . 57 PRO HA . 27177 1 330 . 1 1 57 57 PRO HB2 H 1 1.752 0.020 . 2 . . . . . 57 PRO HB2 . 27177 1 331 . 1 1 57 57 PRO HB3 H 1 2.178 0.020 . 2 . . . . . 57 PRO HB3 . 27177 1 332 . 1 1 57 57 PRO C C 13 176.908 0.3 . 1 . . . . . 57 PRO C . 27177 1 333 . 1 1 57 57 PRO CA C 13 63.011 0.3 . 1 . . . . . 57 PRO CA . 27177 1 334 . 1 1 57 57 PRO CB C 13 31.891 0.3 . 1 . . . . . 57 PRO CB . 27177 1 335 . 1 1 58 58 ARG H H 1 8.370 0.020 . 1 . . . . . 58 ARG H . 27177 1 336 . 1 1 58 58 ARG HA H 1 4.179 0.020 . 1 . . . . . 58 ARG HA . 27177 1 337 . 1 1 58 58 ARG C C 13 176.908 0.3 . 1 . . . . . 58 ARG C . 27177 1 338 . 1 1 58 58 ARG CA C 13 56.493 0.3 . 1 . . . . . 58 ARG CA . 27177 1 339 . 1 1 58 58 ARG CB C 13 30.987 0.3 . 1 . . . . . 58 ARG CB . 27177 1 340 . 1 1 58 58 ARG N N 15 120.225 0.3 . 1 . . . . . 58 ARG N . 27177 1 341 . 1 1 59 59 GLY H H 1 8.350 0.020 . 1 . . . . . 59 GLY H . 27177 1 342 . 1 1 59 59 GLY C C 13 172.913 0.3 . 1 . . . . . 59 GLY C . 27177 1 343 . 1 1 59 59 GLY CA C 13 45.088 0.3 . 1 . . . . . 59 GLY CA . 27177 1 344 . 1 1 59 59 GLY N N 15 108.972 0.3 . 1 . . . . . 59 GLY N . 27177 1 345 . 1 1 60 60 SER H H 1 7.540 0.020 . 1 . . . . . 60 SER H . 27177 1 346 . 1 1 60 60 SER HA H 1 4.314 0.020 . 1 . . . . . 60 SER HA . 27177 1 347 . 1 1 60 60 SER C C 13 172.818 0.3 . 1 . . . . . 60 SER C . 27177 1 348 . 1 1 60 60 SER CA C 13 57.729 0.3 . 1 . . . . . 60 SER CA . 27177 1 349 . 1 1 60 60 SER CB C 13 64.868 0.3 . 1 . . . . . 60 SER CB . 27177 1 350 . 1 1 60 60 SER N N 15 111.882 0.3 . 1 . . . . . 60 SER N . 27177 1 351 . 1 1 61 61 PHE H H 1 8.456 0.020 . 1 . . . . . 61 PHE H . 27177 1 352 . 1 1 61 61 PHE HA H 1 4.689 0.020 . 1 . . . . . 61 PHE HA . 27177 1 353 . 1 1 61 61 PHE C C 13 173.767 0.3 . 1 . . . . . 61 PHE C . 27177 1 354 . 1 1 61 61 PHE CA C 13 56.495 0.3 . 1 . . . . . 61 PHE CA . 27177 1 355 . 1 1 61 61 PHE CB C 13 42.010 0.3 . 1 . . . . . 61 PHE CB . 27177 1 356 . 1 1 61 61 PHE N N 15 118.175 0.3 . 1 . . . . . 61 PHE N . 27177 1 357 . 1 1 62 62 GLN H H 1 8.213 0.020 . 1 . . . . . 62 GLN H . 27177 1 358 . 1 1 62 62 GLN HA H 1 4.852 0.020 . 1 . . . . . 62 GLN HA . 27177 1 359 . 1 1 62 62 GLN C C 13 175.570 0.3 . 1 . . . . . 62 GLN C . 27177 1 360 . 1 1 62 62 GLN CA C 13 55.567 0.3 . 1 . . . . . 62 GLN CA . 27177 1 361 . 1 1 62 62 GLN CB C 13 30.278 0.3 . 1 . . . . . 62 GLN CB . 27177 1 362 . 1 1 62 62 GLN N N 15 117.634 0.3 . 1 . . . . . 62 GLN N . 27177 1 363 . 1 1 63 63 TYR H H 1 9.200 0.020 . 1 . . . . . 63 TYR H . 27177 1 364 . 1 1 63 63 TYR HA H 1 5.289 0.020 . 1 . . . . . 63 TYR HA . 27177 1 365 . 1 1 63 63 TYR HB2 H 1 2.750 0.020 . 2 . . . . . 63 TYR HB2 . 27177 1 366 . 1 1 63 63 TYR HB3 H 1 3.280 0.020 . 2 . . . . . 63 TYR HB3 . 27177 1 367 . 1 1 63 63 TYR C C 13 175.178 0.3 . 1 . . . . . 63 TYR C . 27177 1 368 . 1 1 63 63 TYR CA C 13 57.459 0.3 . 1 . . . . . 63 TYR CA . 27177 1 369 . 1 1 63 63 TYR CB C 13 42.943 0.3 . 1 . . . . . 63 TYR CB . 27177 1 370 . 1 1 63 63 TYR N N 15 124.009 0.3 . 1 . . . . . 63 TYR N . 27177 1 371 . 1 1 64 64 LYS H H 1 9.005 0.020 . 1 . . . . . 64 LYS H . 27177 1 372 . 1 1 64 64 LYS HA H 1 5.139 0.020 . 1 . . . . . 64 LYS HA . 27177 1 373 . 1 1 64 64 LYS HB2 H 1 1.804 0.020 . 2 . . . . . 64 LYS HB2 . 27177 1 374 . 1 1 64 64 LYS HB3 H 1 1.911 0.020 . 2 . . . . . 64 LYS HB3 . 27177 1 375 . 1 1 64 64 LYS C C 13 173.017 0.3 . 1 . . . . . 64 LYS C . 27177 1 376 . 1 1 64 64 LYS CA C 13 55.162 0.3 . 1 . . . . . 64 LYS CA . 27177 1 377 . 1 1 64 64 LYS CB C 13 36.030 0.3 . 1 . . . . . 64 LYS CB . 27177 1 378 . 1 1 64 64 LYS N N 15 120.928 0.3 . 1 . . . . . 64 LYS N . 27177 1 379 . 1 1 65 65 LEU H H 1 8.536 0.020 . 1 . . . . . 65 LEU H . 27177 1 380 . 1 1 65 65 LEU HA H 1 4.833 0.020 . 1 . . . . . 65 LEU HA . 27177 1 381 . 1 1 65 65 LEU HB2 H 1 -1.252 0.020 . 1 . . . . . 65 LEU HB2 . 27177 1 382 . 1 1 65 65 LEU C C 13 174.744 0.3 . 1 . . . . . 65 LEU C . 27177 1 383 . 1 1 65 65 LEU CA C 13 52.736 0.3 . 1 . . . . . 65 LEU CA . 27177 1 384 . 1 1 65 65 LEU CB C 13 42.607 0.3 . 1 . . . . . 65 LEU CB . 27177 1 385 . 1 1 65 65 LEU N N 15 124.984 0.3 . 1 . . . . . 65 LEU N . 27177 1 386 . 1 1 66 66 ILE H H 1 8.972 0.020 . 1 . . . . . 66 ILE H . 27177 1 387 . 1 1 66 66 ILE HA H 1 4.239 0.020 . 1 . . . . . 66 ILE HA . 27177 1 388 . 1 1 66 66 ILE HB H 1 1.835 0.020 . 1 . . . . . 66 ILE HB . 27177 1 389 . 1 1 66 66 ILE C C 13 174.878 0.3 . 1 . . . . . 66 ILE C . 27177 1 390 . 1 1 66 66 ILE CA C 13 60.292 0.3 . 1 . . . . . 66 ILE CA . 27177 1 391 . 1 1 66 66 ILE CB C 13 37.888 0.3 . 1 . . . . . 66 ILE CB . 27177 1 392 . 1 1 66 66 ILE N N 15 124.804 0.3 . 1 . . . . . 66 ILE N . 27177 1 393 . 1 1 67 67 LEU H H 1 8.615 0.020 . 1 . . . . . 67 LEU H . 27177 1 394 . 1 1 67 67 LEU HA H 1 4.414 0.020 . 1 . . . . . 67 LEU HA . 27177 1 395 . 1 1 67 67 LEU HB2 H 1 1.225 0.020 . 2 . . . . . 67 LEU HB2 . 27177 1 396 . 1 1 67 67 LEU HB3 H 1 1.339 0.020 . 2 . . . . . 67 LEU HB3 . 27177 1 397 . 1 1 67 67 LEU C C 13 175.117 0.3 . 1 . . . . . 67 LEU C . 27177 1 398 . 1 1 67 67 LEU CA C 13 54.551 0.3 . 1 . . . . . 67 LEU CA . 27177 1 399 . 1 1 67 67 LEU CB C 13 42.254 0.3 . 1 . . . . . 67 LEU CB . 27177 1 400 . 1 1 67 67 LEU N N 15 124.080 0.3 . 1 . . . . . 67 LEU N . 27177 1 401 . 1 1 68 68 ASN H H 1 8.737 0.020 . 1 . . . . . 68 ASN H . 27177 1 402 . 1 1 68 68 ASN HA H 1 5.085 0.020 . 1 . . . . . 68 ASN HA . 27177 1 403 . 1 1 68 68 ASN HB2 H 1 2.410 0.020 . 2 . . . . . 68 ASN HB2 . 27177 1 404 . 1 1 68 68 ASN HB3 H 1 2.623 0.020 . 2 . . . . . 68 ASN HB3 . 27177 1 405 . 1 1 68 68 ASN C C 13 175.304 0.3 . 1 . . . . . 68 ASN C . 27177 1 406 . 1 1 68 68 ASN CA C 13 51.318 0.3 . 1 . . . . . 68 ASN CA . 27177 1 407 . 1 1 68 68 ASN CB C 13 38.127 0.3 . 1 . . . . . 68 ASN CB . 27177 1 408 . 1 1 68 68 ASN N N 15 123.763 0.3 . 1 . . . . . 68 ASN N . 27177 1 409 . 1 1 69 69 GLY H H 1 7.848 0.020 . 1 . . . . . 69 GLY H . 27177 1 410 . 1 1 69 69 GLY HA2 H 1 3.917 0.020 . 2 . . . . . 69 GLY HA2 . 27177 1 411 . 1 1 69 69 GLY HA3 H 1 4.323 0.020 . 2 . . . . . 69 GLY HA3 . 27177 1 412 . 1 1 69 69 GLY C C 13 173.611 0.3 . 1 . . . . . 69 GLY C . 27177 1 413 . 1 1 69 69 GLY CA C 13 44.716 0.3 . 1 . . . . . 69 GLY CA . 27177 1 414 . 1 1 69 69 GLY N N 15 108.158 0.3 . 1 . . . . . 69 GLY N . 27177 1 415 . 1 1 70 70 LYS H H 1 9.163 0.020 . 1 . . . . . 70 LYS H . 27177 1 416 . 1 1 70 70 LYS HA H 1 3.879 0.020 . 1 . . . . . 70 LYS HA . 27177 1 417 . 1 1 70 70 LYS C C 13 178.730 0.3 . 1 . . . . . 70 LYS C . 27177 1 418 . 1 1 70 70 LYS CA C 13 59.296 0.3 . 1 . . . . . 70 LYS CA . 27177 1 419 . 1 1 70 70 LYS CB C 13 32.465 0.3 . 1 . . . . . 70 LYS CB . 27177 1 420 . 1 1 70 70 LYS N N 15 119.725 0.3 . 1 . . . . . 70 LYS N . 27177 1 421 . 1 1 71 71 THR H H 1 8.741 0.020 . 1 . . . . . 71 THR H . 27177 1 422 . 1 1 71 71 THR HA H 1 4.264 0.020 . 1 . . . . . 71 THR HA . 27177 1 423 . 1 1 71 71 THR HB H 1 4.148 0.020 . 1 . . . . . 71 THR HB . 27177 1 424 . 1 1 71 71 THR C C 13 174.063 0.3 . 1 . . . . . 71 THR C . 27177 1 425 . 1 1 71 71 THR CA C 13 62.051 0.3 . 1 . . . . . 71 THR CA . 27177 1 426 . 1 1 71 71 THR CB C 13 69.729 0.3 . 1 . . . . . 71 THR CB . 27177 1 427 . 1 1 71 71 THR N N 15 107.376 0.3 . 1 . . . . . 71 THR N . 27177 1 428 . 1 1 72 72 LEU H H 1 7.271 0.020 . 1 . . . . . 72 LEU H . 27177 1 429 . 1 1 72 72 LEU HA H 1 4.367 0.020 . 1 . . . . . 72 LEU HA . 27177 1 430 . 1 1 72 72 LEU HB2 H 1 1.322 0.020 . 2 . . . . . 72 LEU HB2 . 27177 1 431 . 1 1 72 72 LEU HB3 H 1 1.396 0.020 . 2 . . . . . 72 LEU HB3 . 27177 1 432 . 1 1 72 72 LEU C C 13 173.693 0.3 . 1 . . . . . 72 LEU C . 27177 1 433 . 1 1 72 72 LEU CA C 13 54.983 0.3 . 1 . . . . . 72 LEU CA . 27177 1 434 . 1 1 72 72 LEU CB C 13 43.610 0.3 . 1 . . . . . 72 LEU CB . 27177 1 435 . 1 1 72 72 LEU N N 15 123.281 0.3 . 1 . . . . . 72 LEU N . 27177 1 436 . 1 1 73 73 LYS H H 1 8.087 0.020 . 1 . . . . . 73 LYS H . 27177 1 437 . 1 1 73 73 LYS HA H 1 5.006 0.020 . 1 . . . . . 73 LYS HA . 27177 1 438 . 1 1 73 73 LYS HB2 H 1 1.627 0.020 . 2 . . . . . 73 LYS HB2 . 27177 1 439 . 1 1 73 73 LYS HB3 H 1 1.766 0.020 . 2 . . . . . 73 LYS HB3 . 27177 1 440 . 1 1 73 73 LYS C C 13 176.492 0.3 . 1 . . . . . 73 LYS C . 27177 1 441 . 1 1 73 73 LYS CA C 13 53.942 0.3 . 1 . . . . . 73 LYS CA . 27177 1 442 . 1 1 73 73 LYS CB C 13 34.650 0.3 . 1 . . . . . 73 LYS CB . 27177 1 443 . 1 1 73 73 LYS N N 15 122.481 0.3 . 1 . . . . . 73 LYS N . 27177 1 444 . 1 1 74 74 GLY H H 1 8.333 0.020 . 1 . . . . . 74 GLY H . 27177 1 445 . 1 1 74 74 GLY HA2 H 1 4.062 0.020 . 2 . . . . . 74 GLY HA2 . 27177 1 446 . 1 1 74 74 GLY HA3 H 1 4.183 0.020 . 2 . . . . . 74 GLY HA3 . 27177 1 447 . 1 1 74 74 GLY C C 13 171.439 0.3 . 1 . . . . . 74 GLY C . 27177 1 448 . 1 1 74 74 GLY CA C 13 45.227 0.3 . 1 . . . . . 74 GLY CA . 27177 1 449 . 1 1 74 74 GLY N N 15 108.162 0.3 . 1 . . . . . 74 GLY N . 27177 1 450 . 1 1 75 75 GLU H H 1 8.336 0.020 . 1 . . . . . 75 GLU H . 27177 1 451 . 1 1 75 75 GLU HA H 1 5.495 0.020 . 1 . . . . . 75 GLU HA . 27177 1 452 . 1 1 75 75 GLU HB2 H 1 1.814 0.020 . 2 . . . . . 75 GLU HB2 . 27177 1 453 . 1 1 75 75 GLU HB3 H 1 1.908 0.020 . 2 . . . . . 75 GLU HB3 . 27177 1 454 . 1 1 75 75 GLU C C 13 175.487 0.3 . 1 . . . . . 75 GLU C . 27177 1 455 . 1 1 75 75 GLU CA C 13 54.825 0.3 . 1 . . . . . 75 GLU CA . 27177 1 456 . 1 1 75 75 GLU CB C 13 33.832 0.3 . 1 . . . . . 75 GLU CB . 27177 1 457 . 1 1 75 75 GLU N N 15 117.255 0.3 . 1 . . . . . 75 GLU N . 27177 1 458 . 1 1 76 76 THR H H 1 8.658 0.020 . 1 . . . . . 76 THR H . 27177 1 459 . 1 1 76 76 THR HA H 1 4.620 0.020 . 1 . . . . . 76 THR HA . 27177 1 460 . 1 1 76 76 THR HB H 1 3.755 0.020 . 1 . . . . . 76 THR HB . 27177 1 461 . 1 1 76 76 THR C C 13 172.188 0.3 . 1 . . . . . 76 THR C . 27177 1 462 . 1 1 76 76 THR CA C 13 60.772 0.3 . 1 . . . . . 76 THR CA . 27177 1 463 . 1 1 76 76 THR CB C 13 69.381 0.3 . 1 . . . . . 76 THR CB . 27177 1 464 . 1 1 76 76 THR N N 15 114.390 0.3 . 1 . . . . . 76 THR N . 27177 1 465 . 1 1 77 77 THR H H 1 7.989 0.020 . 1 . . . . . 77 THR H . 27177 1 466 . 1 1 77 77 THR HA H 1 5.742 0.020 . 1 . . . . . 77 THR HA . 27177 1 467 . 1 1 77 77 THR HB H 1 4.227 0.020 . 1 . . . . . 77 THR HB . 27177 1 468 . 1 1 77 77 THR C C 13 174.332 0.3 . 1 . . . . . 77 THR C . 27177 1 469 . 1 1 77 77 THR CA C 13 59.773 0.3 . 1 . . . . . 77 THR CA . 27177 1 470 . 1 1 77 77 THR CB C 13 73.422 0.3 . 1 . . . . . 77 THR CB . 27177 1 471 . 1 1 77 77 THR N N 15 110.350 0.3 . 1 . . . . . 77 THR N . 27177 1 472 . 1 1 78 78 THR H H 1 8.913 0.020 . 1 . . . . . 78 THR H . 27177 1 473 . 1 1 78 78 THR HA H 1 4.572 0.020 . 1 . . . . . 78 THR HA . 27177 1 474 . 1 1 78 78 THR HB H 1 3.769 0.020 . 1 . . . . . 78 THR HB . 27177 1 475 . 1 1 78 78 THR C C 13 171.270 0.3 . 1 . . . . . 78 THR C . 27177 1 476 . 1 1 78 78 THR CA C 13 62.430 0.3 . 1 . . . . . 78 THR CA . 27177 1 477 . 1 1 78 78 THR CB C 13 69.939 0.3 . 1 . . . . . 78 THR CB . 27177 1 478 . 1 1 78 78 THR N N 15 113.304 0.3 . 1 . . . . . 78 THR N . 27177 1 479 . 1 1 79 79 GLU H H 1 7.963 0.020 . 1 . . . . . 79 GLU H . 27177 1 480 . 1 1 79 79 GLU HA H 1 5.457 0.020 . 1 . . . . . 79 GLU HA . 27177 1 481 . 1 1 79 79 GLU HB2 H 1 1.795 0.020 . 2 . . . . . 79 GLU HB2 . 27177 1 482 . 1 1 79 79 GLU HB3 H 1 1.861 0.020 . 2 . . . . . 79 GLU HB3 . 27177 1 483 . 1 1 79 79 GLU C C 13 176.406 0.3 . 1 . . . . . 79 GLU C . 27177 1 484 . 1 1 79 79 GLU CA C 13 54.725 0.3 . 1 . . . . . 79 GLU CA . 27177 1 485 . 1 1 79 79 GLU CB C 13 30.926 0.3 . 1 . . . . . 79 GLU CB . 27177 1 486 . 1 1 79 79 GLU N N 15 123.283 0.3 . 1 . . . . . 79 GLU N . 27177 1 487 . 1 1 80 80 ALA H H 1 9.344 0.020 . 1 . . . . . 80 ALA H . 27177 1 488 . 1 1 80 80 ALA HA H 1 4.894 0.020 . 1 . . . . . 80 ALA HA . 27177 1 489 . 1 1 80 80 ALA C C 13 177.445 0.3 . 1 . . . . . 80 ALA C . 27177 1 490 . 1 1 80 80 ALA CA C 13 51.002 0.3 . 1 . . . . . 80 ALA CA . 27177 1 491 . 1 1 80 80 ALA CB C 13 23.459 0.3 . 1 . . . . . 80 ALA CB . 27177 1 492 . 1 1 80 80 ALA N N 15 123.868 0.3 . 1 . . . . . 80 ALA N . 27177 1 493 . 1 1 81 81 VAL H H 1 8.367 0.020 . 1 . . . . . 81 VAL H . 27177 1 494 . 1 1 81 81 VAL HA H 1 4.304 0.020 . 1 . . . . . 81 VAL HA . 27177 1 495 . 1 1 81 81 VAL HB H 1 2.177 0.020 . 1 . . . . . 81 VAL HB . 27177 1 496 . 1 1 81 81 VAL C C 13 175.001 0.3 . 1 . . . . . 81 VAL C . 27177 1 497 . 1 1 81 81 VAL CA C 13 63.117 0.3 . 1 . . . . . 81 VAL CA . 27177 1 498 . 1 1 81 81 VAL CB C 13 31.887 0.3 . 1 . . . . . 81 VAL CB . 27177 1 499 . 1 1 81 81 VAL N N 15 112.594 0.3 . 1 . . . . . 81 VAL N . 27177 1 500 . 1 1 82 82 ASP H H 1 7.321 0.020 . 1 . . . . . 82 ASP H . 27177 1 501 . 1 1 82 82 ASP HA H 1 4.681 0.020 . 1 . . . . . 82 ASP HA . 27177 1 502 . 1 1 82 82 ASP C C 13 174.995 0.3 . 1 . . . . . 82 ASP C . 27177 1 503 . 1 1 82 82 ASP CA C 13 52.644 0.3 . 1 . . . . . 82 ASP CA . 27177 1 504 . 1 1 82 82 ASP CB C 13 41.936 0.3 . 1 . . . . . 82 ASP CB . 27177 1 505 . 1 1 82 82 ASP N N 15 112.906 0.3 . 1 . . . . . 82 ASP N . 27177 1 506 . 1 1 83 83 ALA H H 1 8.228 0.020 . 1 . . . . . 83 ALA H . 27177 1 507 . 1 1 83 83 ALA HA H 1 3.360 0.020 . 1 . . . . . 83 ALA HA . 27177 1 508 . 1 1 83 83 ALA C C 13 179.434 0.3 . 1 . . . . . 83 ALA C . 27177 1 509 . 1 1 83 83 ALA CA C 13 54.443 0.3 . 1 . . . . . 83 ALA CA . 27177 1 510 . 1 1 83 83 ALA CB C 13 17.352 0.3 . 1 . . . . . 83 ALA CB . 27177 1 511 . 1 1 83 83 ALA N N 15 119.720 0.3 . 1 . . . . . 83 ALA N . 27177 1 512 . 1 1 84 84 ALA H H 1 8.016 0.020 . 1 . . . . . 84 ALA H . 27177 1 513 . 1 1 84 84 ALA HA H 1 3.855 0.020 . 1 . . . . . 84 ALA HA . 27177 1 514 . 1 1 84 84 ALA C C 13 181.099 0.3 . 1 . . . . . 84 ALA C . 27177 1 515 . 1 1 84 84 ALA CA C 13 54.678 0.3 . 1 . . . . . 84 ALA CA . 27177 1 516 . 1 1 84 84 ALA CB C 13 17.829 0.3 . 1 . . . . . 84 ALA CB . 27177 1 517 . 1 1 84 84 ALA N N 15 118.964 0.3 . 1 . . . . . 84 ALA N . 27177 1 518 . 1 1 85 85 THR H H 1 8.228 0.020 . 1 . . . . . 85 THR H . 27177 1 519 . 1 1 85 85 THR HA H 1 3.608 0.020 . 1 . . . . . 85 THR HA . 27177 1 520 . 1 1 85 85 THR HB H 1 3.946 0.020 . 1 . . . . . 85 THR HB . 27177 1 521 . 1 1 85 85 THR C C 13 176.351 0.3 . 1 . . . . . 85 THR C . 27177 1 522 . 1 1 85 85 THR CA C 13 66.701 0.3 . 1 . . . . . 85 THR CA . 27177 1 523 . 1 1 85 85 THR CB C 13 68.032 0.3 . 1 . . . . . 85 THR CB . 27177 1 524 . 1 1 85 85 THR N N 15 114.994 0.3 . 1 . . . . . 85 THR N . 27177 1 525 . 1 1 86 86 ALA H H 1 6.986 0.020 . 1 . . . . . 86 ALA H . 27177 1 526 . 1 1 86 86 ALA HA H 1 3.008 0.020 . 1 . . . . . 86 ALA HA . 27177 1 527 . 1 1 86 86 ALA C C 13 177.351 0.3 . 1 . . . . . 86 ALA C . 27177 1 528 . 1 1 86 86 ALA CA C 13 54.786 0.3 . 1 . . . . . 86 ALA CA . 27177 1 529 . 1 1 86 86 ALA CB C 13 17.274 0.3 . 1 . . . . . 86 ALA CB . 27177 1 530 . 1 1 86 86 ALA N N 15 122.124 0.3 . 1 . . . . . 86 ALA N . 27177 1 531 . 1 1 87 87 GLU H H 1 8.345 0.020 . 1 . . . . . 87 GLU H . 27177 1 532 . 1 1 87 87 GLU HA H 1 2.551 0.020 . 1 . . . . . 87 GLU HA . 27177 1 533 . 1 1 87 87 GLU HB2 H 1 1.751 0.020 . 2 . . . . . 87 GLU HB2 . 27177 1 534 . 1 1 87 87 GLU HB3 H 1 1.854 0.020 . 2 . . . . . 87 GLU HB3 . 27177 1 535 . 1 1 87 87 GLU C C 13 177.516 0.3 . 1 . . . . . 87 GLU C . 27177 1 536 . 1 1 87 87 GLU CA C 13 59.551 0.3 . 1 . . . . . 87 GLU CA . 27177 1 537 . 1 1 87 87 GLU CB C 13 29.257 0.3 . 1 . . . . . 87 GLU CB . 27177 1 538 . 1 1 87 87 GLU N N 15 115.218 0.3 . 1 . . . . . 87 GLU N . 27177 1 539 . 1 1 88 88 LYS H H 1 6.904 0.020 . 1 . . . . . 88 LYS H . 27177 1 540 . 1 1 88 88 LYS HA H 1 3.633 0.020 . 1 . . . . . 88 LYS HA . 27177 1 541 . 1 1 88 88 LYS HB2 H 1 1.699 0.020 . 2 . . . . . 88 LYS HB2 . 27177 1 542 . 1 1 88 88 LYS HB3 H 1 1.745 0.020 . 2 . . . . . 88 LYS HB3 . 27177 1 543 . 1 1 88 88 LYS C C 13 180.197 0.3 . 1 . . . . . 88 LYS C . 27177 1 544 . 1 1 88 88 LYS CA C 13 59.638 0.3 . 1 . . . . . 88 LYS CA . 27177 1 545 . 1 1 88 88 LYS CB C 13 32.144 0.3 . 1 . . . . . 88 LYS CB . 27177 1 546 . 1 1 88 88 LYS N N 15 115.105 0.3 . 1 . . . . . 88 LYS N . 27177 1 547 . 1 1 89 89 VAL H H 1 7.178 0.020 . 1 . . . . . 89 VAL H . 27177 1 548 . 1 1 89 89 VAL HA H 1 3.520 0.020 . 1 . . . . . 89 VAL HA . 27177 1 549 . 1 1 89 89 VAL HB H 1 1.658 0.020 . 1 . . . . . 89 VAL HB . 27177 1 550 . 1 1 89 89 VAL C C 13 179.990 0.3 . 1 . . . . . 89 VAL C . 27177 1 551 . 1 1 89 89 VAL CA C 13 65.843 0.3 . 1 . . . . . 89 VAL CA . 27177 1 552 . 1 1 89 89 VAL CB C 13 31.714 0.3 . 1 . . . . . 89 VAL CB . 27177 1 553 . 1 1 89 89 VAL N N 15 119.005 0.3 . 1 . . . . . 89 VAL N . 27177 1 554 . 1 1 90 90 PHE H H 1 8.385 0.020 . 1 . . . . . 90 PHE H . 27177 1 555 . 1 1 90 90 PHE HA H 1 4.652 0.020 . 1 . . . . . 90 PHE HA . 27177 1 556 . 1 1 90 90 PHE HB2 H 1 2.750 0.020 . 2 . . . . . 90 PHE HB2 . 27177 1 557 . 1 1 90 90 PHE HB3 H 1 3.229 0.020 . 2 . . . . . 90 PHE HB3 . 27177 1 558 . 1 1 90 90 PHE C C 13 178.520 0.3 . 1 . . . . . 90 PHE C . 27177 1 559 . 1 1 90 90 PHE CA C 13 56.381 0.3 . 1 . . . . . 90 PHE CA . 27177 1 560 . 1 1 90 90 PHE CB C 13 37.366 0.3 . 1 . . . . . 90 PHE CB . 27177 1 561 . 1 1 90 90 PHE N N 15 119.144 0.3 . 1 . . . . . 90 PHE N . 27177 1 562 . 1 1 91 91 LYS H H 1 9.096 0.020 . 1 . . . . . 91 LYS H . 27177 1 563 . 1 1 91 91 LYS HA H 1 4.084 0.020 . 1 . . . . . 91 LYS HA . 27177 1 564 . 1 1 91 91 LYS HB2 H 1 1.474 0.020 . 2 . . . . . 91 LYS HB2 . 27177 1 565 . 1 1 91 91 LYS HB3 H 1 1.586 0.020 . 2 . . . . . 91 LYS HB3 . 27177 1 566 . 1 1 91 91 LYS C C 13 179.770 0.3 . 1 . . . . . 91 LYS C . 27177 1 567 . 1 1 91 91 LYS CA C 13 59.705 0.3 . 1 . . . . . 91 LYS CA . 27177 1 568 . 1 1 91 91 LYS CB C 13 31.598 0.3 . 1 . . . . . 91 LYS CB . 27177 1 569 . 1 1 91 91 LYS N N 15 121.372 0.3 . 1 . . . . . 91 LYS N . 27177 1 570 . 1 1 92 92 GLN H H 1 7.369 0.020 . 1 . . . . . 92 GLN H . 27177 1 571 . 1 1 92 92 GLN HA H 1 3.968 0.020 . 1 . . . . . 92 GLN HA . 27177 1 572 . 1 1 92 92 GLN C C 13 177.217 0.3 . 1 . . . . . 92 GLN C . 27177 1 573 . 1 1 92 92 GLN CA C 13 58.635 0.3 . 1 . . . . . 92 GLN CA . 27177 1 574 . 1 1 92 92 GLN CB C 13 28.134 0.3 . 1 . . . . . 92 GLN CB . 27177 1 575 . 1 1 92 92 GLN N N 15 118.177 0.3 . 1 . . . . . 92 GLN N . 27177 1 576 . 1 1 93 93 TYR H H 1 8.175 0.020 . 1 . . . . . 93 TYR H . 27177 1 577 . 1 1 93 93 TYR HA H 1 4.188 0.020 . 1 . . . . . 93 TYR HA . 27177 1 578 . 1 1 93 93 TYR C C 13 179.213 0.3 . 1 . . . . . 93 TYR C . 27177 1 579 . 1 1 93 93 TYR CA C 13 61.778 0.3 . 1 . . . . . 93 TYR CA . 27177 1 580 . 1 1 93 93 TYR CB C 13 38.579 0.3 . 1 . . . . . 93 TYR CB . 27177 1 581 . 1 1 93 93 TYR N N 15 119.460 0.3 . 1 . . . . . 93 TYR N . 27177 1 582 . 1 1 94 94 ALA H H 1 9.121 0.020 . 1 . . . . . 94 ALA H . 27177 1 583 . 1 1 94 94 ALA HA H 1 3.716 0.020 . 1 . . . . . 94 ALA HA . 27177 1 584 . 1 1 94 94 ALA C C 13 179.471 0.3 . 1 . . . . . 94 ALA C . 27177 1 585 . 1 1 94 94 ALA CA C 13 56.136 0.3 . 1 . . . . . 94 ALA CA . 27177 1 586 . 1 1 94 94 ALA CB C 13 17.907 0.3 . 1 . . . . . 94 ALA CB . 27177 1 587 . 1 1 94 94 ALA N N 15 120.996 0.3 . 1 . . . . . 94 ALA N . 27177 1 588 . 1 1 95 95 ASN H H 1 8.167 0.020 . 1 . . . . . 95 ASN H . 27177 1 589 . 1 1 95 95 ASN HA H 1 4.358 0.020 . 1 . . . . . 95 ASN HA . 27177 1 590 . 1 1 95 95 ASN C C 13 179.545 0.3 . 1 . . . . . 95 ASN C . 27177 1 591 . 1 1 95 95 ASN CA C 13 57.087 0.3 . 1 . . . . . 95 ASN CA . 27177 1 592 . 1 1 95 95 ASN CB C 13 38.857 0.3 . 1 . . . . . 95 ASN CB . 27177 1 593 . 1 1 95 95 ASN N N 15 116.059 0.3 . 1 . . . . . 95 ASN N . 27177 1 594 . 1 1 96 96 ASP H H 1 8.865 0.020 . 1 . . . . . 96 ASP H . 27177 1 595 . 1 1 96 96 ASP HA H 1 4.278 0.020 . 1 . . . . . 96 ASP HA . 27177 1 596 . 1 1 96 96 ASP HB2 H 1 2.449 0.020 . 2 . . . . . 96 ASP HB2 . 27177 1 597 . 1 1 96 96 ASP HB3 H 1 2.615 0.020 . 2 . . . . . 96 ASP HB3 . 27177 1 598 . 1 1 96 96 ASP C C 13 177.300 0.3 . 1 . . . . . 96 ASP C . 27177 1 599 . 1 1 96 96 ASP CA C 13 56.857 0.3 . 1 . . . . . 96 ASP CA . 27177 1 600 . 1 1 96 96 ASP CB C 13 39.980 0.3 . 1 . . . . . 96 ASP CB . 27177 1 601 . 1 1 96 96 ASP N N 15 119.867 0.3 . 1 . . . . . 96 ASP N . 27177 1 602 . 1 1 97 97 ASN H H 1 7.314 0.020 . 1 . . . . . 97 ASN H . 27177 1 603 . 1 1 97 97 ASN HA H 1 4.523 0.020 . 1 . . . . . 97 ASN HA . 27177 1 604 . 1 1 97 97 ASN HB2 H 1 2.006 0.020 . 2 . . . . . 97 ASN HB2 . 27177 1 605 . 1 1 97 97 ASN HB3 H 1 2.586 0.020 . 2 . . . . . 97 ASN HB3 . 27177 1 606 . 1 1 97 97 ASN C C 13 174.192 0.3 . 1 . . . . . 97 ASN C . 27177 1 607 . 1 1 97 97 ASN CA C 13 53.636 0.3 . 1 . . . . . 97 ASN CA . 27177 1 608 . 1 1 97 97 ASN CB C 13 40.003 0.3 . 1 . . . . . 97 ASN CB . 27177 1 609 . 1 1 97 97 ASN N N 15 113.729 0.3 . 1 . . . . . 97 ASN N . 27177 1 610 . 1 1 98 98 GLY H H 1 7.712 0.020 . 1 . . . . . 98 GLY H . 27177 1 611 . 1 1 98 98 GLY C C 13 174.388 0.3 . 1 . . . . . 98 GLY C . 27177 1 612 . 1 1 98 98 GLY CA C 13 46.783 0.3 . 1 . . . . . 98 GLY CA . 27177 1 613 . 1 1 98 98 GLY N N 15 106.737 0.3 . 1 . . . . . 98 GLY N . 27177 1 614 . 1 1 99 99 VAL H H 1 8.058 0.020 . 1 . . . . . 99 VAL H . 27177 1 615 . 1 1 99 99 VAL HA H 1 4.070 0.020 . 1 . . . . . 99 VAL HA . 27177 1 616 . 1 1 99 99 VAL HB H 1 1.648 0.020 . 1 . . . . . 99 VAL HB . 27177 1 617 . 1 1 99 99 VAL C C 13 173.992 0.3 . 1 . . . . . 99 VAL C . 27177 1 618 . 1 1 99 99 VAL CA C 13 61.865 0.3 . 1 . . . . . 99 VAL CA . 27177 1 619 . 1 1 99 99 VAL CB C 13 33.233 0.3 . 1 . . . . . 99 VAL CB . 27177 1 620 . 1 1 99 99 VAL N N 15 119.234 0.3 . 1 . . . . . 99 VAL N . 27177 1 621 . 1 1 100 100 ASP H H 1 8.453 0.020 . 1 . . . . . 100 ASP H . 27177 1 622 . 1 1 100 100 ASP HA H 1 4.826 0.020 . 1 . . . . . 100 ASP HA . 27177 1 623 . 1 1 100 100 ASP HB2 H 1 2.506 0.020 . 2 . . . . . 100 ASP HB2 . 27177 1 624 . 1 1 100 100 ASP HB3 H 1 2.609 0.020 . 2 . . . . . 100 ASP HB3 . 27177 1 625 . 1 1 100 100 ASP C C 13 174.902 0.3 . 1 . . . . . 100 ASP C . 27177 1 626 . 1 1 100 100 ASP CA C 13 52.342 0.3 . 1 . . . . . 100 ASP CA . 27177 1 627 . 1 1 100 100 ASP CB C 13 43.143 0.3 . 1 . . . . . 100 ASP CB . 27177 1 628 . 1 1 100 100 ASP N N 15 126.070 0.3 . 1 . . . . . 100 ASP N . 27177 1 629 . 1 1 101 101 GLY H H 1 7.899 0.020 . 1 . . . . . 101 GLY H . 27177 1 630 . 1 1 101 101 GLY HA2 H 1 3.651 0.020 . 2 . . . . . 101 GLY HA2 . 27177 1 631 . 1 1 101 101 GLY HA3 H 1 4.136 0.020 . 2 . . . . . 101 GLY HA3 . 27177 1 632 . 1 1 101 101 GLY C C 13 171.954 0.3 . 1 . . . . . 101 GLY C . 27177 1 633 . 1 1 101 101 GLY CA C 13 45.411 0.3 . 1 . . . . . 101 GLY CA . 27177 1 634 . 1 1 101 101 GLY N N 15 106.265 0.3 . 1 . . . . . 101 GLY N . 27177 1 635 . 1 1 102 102 GLU H H 1 7.995 0.020 . 1 . . . . . 102 GLU H . 27177 1 636 . 1 1 102 102 GLU HA H 1 4.624 0.020 . 1 . . . . . 102 GLU HA . 27177 1 637 . 1 1 102 102 GLU HB2 H 1 1.846 0.020 . 2 . . . . . 102 GLU HB2 . 27177 1 638 . 1 1 102 102 GLU HB3 H 1 1.960 0.020 . 2 . . . . . 102 GLU HB3 . 27177 1 639 . 1 1 102 102 GLU C C 13 177.111 0.3 . 1 . . . . . 102 GLU C . 27177 1 640 . 1 1 102 102 GLU CA C 13 55.410 0.3 . 1 . . . . . 102 GLU CA . 27177 1 641 . 1 1 102 102 GLU CB C 13 31.495 0.3 . 1 . . . . . 102 GLU CB . 27177 1 642 . 1 1 102 102 GLU N N 15 118.890 0.3 . 1 . . . . . 102 GLU N . 27177 1 643 . 1 1 103 103 TRP H H 1 9.283 0.020 . 1 . . . . . 103 TRP H . 27177 1 644 . 1 1 103 103 TRP HA H 1 5.290 0.020 . 1 . . . . . 103 TRP HA . 27177 1 645 . 1 1 103 103 TRP HB2 H 1 3.059 0.020 . 2 . . . . . 103 TRP HB2 . 27177 1 646 . 1 1 103 103 TRP HB3 H 1 3.274 0.020 . 2 . . . . . 103 TRP HB3 . 27177 1 647 . 1 1 103 103 TRP C C 13 177.247 0.3 . 1 . . . . . 103 TRP C . 27177 1 648 . 1 1 103 103 TRP CA C 13 57.717 0.3 . 1 . . . . . 103 TRP CA . 27177 1 649 . 1 1 103 103 TRP CB C 13 30.463 0.3 . 1 . . . . . 103 TRP CB . 27177 1 650 . 1 1 103 103 TRP N N 15 126.487 0.3 . 1 . . . . . 103 TRP N . 27177 1 651 . 1 1 104 104 THR H H 1 9.188 0.020 . 1 . . . . . 104 THR H . 27177 1 652 . 1 1 104 104 THR HA H 1 4.756 0.020 . 1 . . . . . 104 THR HA . 27177 1 653 . 1 1 104 104 THR HB H 1 4.133 0.020 . 1 . . . . . 104 THR HB . 27177 1 654 . 1 1 104 104 THR C C 13 172.888 0.3 . 1 . . . . . 104 THR C . 27177 1 655 . 1 1 104 104 THR CA C 13 60.415 0.3 . 1 . . . . . 104 THR CA . 27177 1 656 . 1 1 104 104 THR CB C 13 72.296 0.3 . 1 . . . . . 104 THR CB . 27177 1 657 . 1 1 104 104 THR N N 15 113.071 0.3 . 1 . . . . . 104 THR N . 27177 1 658 . 1 1 105 105 TYR H H 1 8.507 0.020 . 1 . . . . . 105 TYR H . 27177 1 659 . 1 1 105 105 TYR HA H 1 4.895 0.020 . 1 . . . . . 105 TYR HA . 27177 1 660 . 1 1 105 105 TYR HB2 H 1 2.386 0.020 . 2 . . . . . 105 TYR HB2 . 27177 1 661 . 1 1 105 105 TYR HB3 H 1 2.765 0.020 . 2 . . . . . 105 TYR HB3 . 27177 1 662 . 1 1 105 105 TYR C C 13 173.385 0.3 . 1 . . . . . 105 TYR C . 27177 1 663 . 1 1 105 105 TYR CA C 13 56.803 0.3 . 1 . . . . . 105 TYR CA . 27177 1 664 . 1 1 105 105 TYR CB C 13 41.507 0.3 . 1 . . . . . 105 TYR CB . 27177 1 665 . 1 1 105 105 TYR N N 15 119.105 0.3 . 1 . . . . . 105 TYR N . 27177 1 666 . 1 1 106 106 ASP H H 1 7.601 0.020 . 1 . . . . . 106 ASP H . 27177 1 667 . 1 1 106 106 ASP HA H 1 4.504 0.020 . 1 . . . . . 106 ASP HA . 27177 1 668 . 1 1 106 106 ASP HB2 H 1 2.157 0.020 . 2 . . . . . 106 ASP HB2 . 27177 1 669 . 1 1 106 106 ASP HB3 H 1 2.438 0.020 . 2 . . . . . 106 ASP HB3 . 27177 1 670 . 1 1 106 106 ASP C C 13 174.637 0.3 . 1 . . . . . 106 ASP C . 27177 1 671 . 1 1 106 106 ASP CA C 13 51.703 0.3 . 1 . . . . . 106 ASP CA . 27177 1 672 . 1 1 106 106 ASP CB C 13 43.015 0.3 . 1 . . . . . 106 ASP CB . 27177 1 673 . 1 1 106 106 ASP N N 15 126.927 0.3 . 1 . . . . . 106 ASP N . 27177 1 674 . 1 1 107 107 ASP H H 1 8.435 0.020 . 1 . . . . . 107 ASP H . 27177 1 675 . 1 1 107 107 ASP HA H 1 3.961 0.020 . 1 . . . . . 107 ASP HA . 27177 1 676 . 1 1 107 107 ASP HB2 H 1 2.407 0.020 . 2 . . . . . 107 ASP HB2 . 27177 1 677 . 1 1 107 107 ASP HB3 H 1 2.657 0.020 . 2 . . . . . 107 ASP HB3 . 27177 1 678 . 1 1 107 107 ASP C C 13 178.327 0.3 . 1 . . . . . 107 ASP C . 27177 1 679 . 1 1 107 107 ASP CA C 13 56.249 0.3 . 1 . . . . . 107 ASP CA . 27177 1 680 . 1 1 107 107 ASP CB C 13 41.839 0.3 . 1 . . . . . 107 ASP CB . 27177 1 681 . 1 1 107 107 ASP N N 15 123.273 0.3 . 1 . . . . . 107 ASP N . 27177 1 682 . 1 1 108 108 ALA H H 1 8.203 0.020 . 1 . . . . . 108 ALA H . 27177 1 683 . 1 1 108 108 ALA HA H 1 3.977 0.020 . 1 . . . . . 108 ALA HA . 27177 1 684 . 1 1 108 108 ALA C C 13 179.878 0.3 . 1 . . . . . 108 ALA C . 27177 1 685 . 1 1 108 108 ALA CA C 13 54.882 0.3 . 1 . . . . . 108 ALA CA . 27177 1 686 . 1 1 108 108 ALA CB C 13 18.279 0.3 . 1 . . . . . 108 ALA CB . 27177 1 687 . 1 1 108 108 ALA N N 15 118.527 0.3 . 1 . . . . . 108 ALA N . 27177 1 688 . 1 1 109 109 THR H H 1 6.876 0.020 . 1 . . . . . 109 THR H . 27177 1 689 . 1 1 109 109 THR HA H 1 4.305 0.020 . 1 . . . . . 109 THR HA . 27177 1 690 . 1 1 109 109 THR HB H 1 4.280 0.020 . 1 . . . . . 109 THR HB . 27177 1 691 . 1 1 109 109 THR C C 13 175.245 0.3 . 1 . . . . . 109 THR C . 27177 1 692 . 1 1 109 109 THR CA C 13 60.210 0.3 . 1 . . . . . 109 THR CA . 27177 1 693 . 1 1 109 109 THR CB C 13 70.199 0.3 . 1 . . . . . 109 THR CB . 27177 1 694 . 1 1 109 109 THR N N 15 101.590 0.3 . 1 . . . . . 109 THR N . 27177 1 695 . 1 1 110 110 LYS H H 1 7.738 0.020 . 1 . . . . . 110 LYS H . 27177 1 696 . 1 1 110 110 LYS HA H 1 3.991 0.020 . 1 . . . . . 110 LYS HA . 27177 1 697 . 1 1 110 110 LYS C C 13 175.033 0.3 . 1 . . . . . 110 LYS C . 27177 1 698 . 1 1 110 110 LYS CA C 13 57.342 0.3 . 1 . . . . . 110 LYS CA . 27177 1 699 . 1 1 110 110 LYS CB C 13 30.182 0.3 . 1 . . . . . 110 LYS CB . 27177 1 700 . 1 1 110 110 LYS N N 15 122.207 0.3 . 1 . . . . . 110 LYS N . 27177 1 701 . 1 1 111 111 THR H H 1 7.265 0.020 . 1 . . . . . 111 THR H . 27177 1 702 . 1 1 111 111 THR HA H 1 5.429 0.020 . 1 . . . . . 111 THR HA . 27177 1 703 . 1 1 111 111 THR HB H 1 3.655 0.020 . 1 . . . . . 111 THR HB . 27177 1 704 . 1 1 111 111 THR C C 13 175.014 0.3 . 1 . . . . . 111 THR C . 27177 1 705 . 1 1 111 111 THR CA C 13 62.096 0.3 . 1 . . . . . 111 THR CA . 27177 1 706 . 1 1 111 111 THR CB C 13 71.941 0.3 . 1 . . . . . 111 THR CB . 27177 1 707 . 1 1 111 111 THR N N 15 109.389 0.3 . 1 . . . . . 111 THR N . 27177 1 708 . 1 1 112 112 PHE H H 1 10.348 0.020 . 1 . . . . . 112 PHE H . 27177 1 709 . 1 1 112 112 PHE HA H 1 5.608 0.020 . 1 . . . . . 112 PHE HA . 27177 1 710 . 1 1 112 112 PHE C C 13 174.788 0.3 . 1 . . . . . 112 PHE C . 27177 1 711 . 1 1 112 112 PHE CA C 13 57.017 0.3 . 1 . . . . . 112 PHE CA . 27177 1 712 . 1 1 112 112 PHE CB C 13 42.675 0.3 . 1 . . . . . 112 PHE CB . 27177 1 713 . 1 1 112 112 PHE N N 15 129.436 0.3 . 1 . . . . . 112 PHE N . 27177 1 714 . 1 1 113 113 THR H H 1 9.005 0.020 . 1 . . . . . 113 THR H . 27177 1 715 . 1 1 113 113 THR HA H 1 5.095 0.020 . 1 . . . . . 113 THR HA . 27177 1 716 . 1 1 113 113 THR HB H 1 3.728 0.020 . 1 . . . . . 113 THR HB . 27177 1 717 . 1 1 113 113 THR C C 13 172.831 0.3 . 1 . . . . . 113 THR C . 27177 1 718 . 1 1 113 113 THR CA C 13 61.407 0.3 . 1 . . . . . 113 THR CA . 27177 1 719 . 1 1 113 113 THR CB C 13 71.010 0.3 . 1 . . . . . 113 THR CB . 27177 1 720 . 1 1 113 113 THR N N 15 115.243 0.3 . 1 . . . . . 113 THR N . 27177 1 721 . 1 1 114 114 VAL H H 1 8.174 0.020 . 1 . . . . . 114 VAL H . 27177 1 722 . 1 1 114 114 VAL HA H 1 4.386 0.020 . 1 . . . . . 114 VAL HA . 27177 1 723 . 1 1 114 114 VAL HB H 1 -0.315 0.020 . 1 . . . . . 114 VAL HB . 27177 1 724 . 1 1 114 114 VAL C C 13 173.480 0.3 . 1 . . . . . 114 VAL C . 27177 1 725 . 1 1 114 114 VAL CA C 13 57.922 0.3 . 1 . . . . . 114 VAL CA . 27177 1 726 . 1 1 114 114 VAL CB C 13 32.482 0.3 . 1 . . . . . 114 VAL CB . 27177 1 727 . 1 1 114 114 VAL CG1 C 13 20.551 0.3 . 1 . . . . . 114 VAL CG1 . 27177 1 728 . 1 1 114 114 VAL CG2 C 13 19.621 0.3 . 1 . . . . . 114 VAL CG2 . 27177 1 729 . 1 1 114 114 VAL N N 15 121.796 0.3 . 1 . . . . . 114 VAL N . 27177 1 730 . 1 1 115 115 THR H H 1 8.283 0.020 . 1 . . . . . 115 THR H . 27177 1 731 . 1 1 115 115 THR HA H 1 4.607 0.020 . 1 . . . . . 115 THR HA . 27177 1 732 . 1 1 115 115 THR HB H 1 3.744 0.020 . 1 . . . . . 115 THR HB . 27177 1 733 . 1 1 115 115 THR C C 13 174.743 0.3 . 1 . . . . . 115 THR C . 27177 1 734 . 1 1 115 115 THR CA C 13 60.684 0.3 . 1 . . . . . 115 THR CA . 27177 1 735 . 1 1 115 115 THR CB C 13 70.456 0.3 . 1 . . . . . 115 THR CB . 27177 1 736 . 1 1 115 115 THR N N 15 121.772 0.3 . 1 . . . . . 115 THR N . 27177 1 737 . 1 1 116 116 GLU H H 1 8.121 0.020 . 1 . . . . . 116 GLU H . 27177 1 738 . 1 1 116 116 GLU HA H 1 4.436 0.020 . 1 . . . . . 116 GLU HA . 27177 1 739 . 1 1 116 116 GLU HB2 H 1 1.923 0.020 . 2 . . . . . 116 GLU HB2 . 27177 1 740 . 1 1 116 116 GLU HB3 H 1 2.048 0.020 . 2 . . . . . 116 GLU HB3 . 27177 1 741 . 1 1 116 116 GLU C C 13 175.833 0.3 . 1 . . . . . 116 GLU C . 27177 1 742 . 1 1 116 116 GLU CA C 13 56.247 0.3 . 1 . . . . . 116 GLU CA . 27177 1 743 . 1 1 116 116 GLU CB C 13 31.443 0.3 . 1 . . . . . 116 GLU CB . 27177 1 744 . 1 1 116 116 GLU N N 15 127.190 0.3 . 1 . . . . . 116 GLU N . 27177 1 745 . 1 1 117 117 SER H H 1 8.706 0.020 . 1 . . . . . 117 SER H . 27177 1 746 . 1 1 117 117 SER HA H 1 4.352 0.020 . 1 . . . . . 117 SER HA . 27177 1 747 . 1 1 117 117 SER C C 13 175.155 0.3 . 1 . . . . . 117 SER C . 27177 1 748 . 1 1 117 117 SER CA C 13 58.796 0.3 . 1 . . . . . 117 SER CA . 27177 1 749 . 1 1 117 117 SER CB C 13 63.997 0.3 . 1 . . . . . 117 SER CB . 27177 1 750 . 1 1 117 117 SER N N 15 118.102 0.3 . 1 . . . . . 117 SER N . 27177 1 751 . 1 1 118 118 GLY H H 1 8.546 0.020 . 1 . . . . . 118 GLY H . 27177 1 752 . 1 1 118 118 GLY C C 13 174.080 0.3 . 1 . . . . . 118 GLY C . 27177 1 753 . 1 1 118 118 GLY CA C 13 45.112 0.3 . 1 . . . . . 118 GLY CA . 27177 1 754 . 1 1 118 118 GLY N N 15 109.381 0.3 . 1 . . . . . 118 GLY N . 27177 1 755 . 1 1 119 119 HIS H H 1 8.127 0.020 . 1 . . . . . 119 HIS H . 27177 1 756 . 1 1 119 119 HIS HA H 1 4.447 0.020 . 1 . . . . . 119 HIS HA . 27177 1 757 . 1 1 119 119 HIS C C 13 176.289 0.3 . 1 . . . . . 119 HIS C . 27177 1 758 . 1 1 119 119 HIS CA C 13 56.376 0.3 . 1 . . . . . 119 HIS CA . 27177 1 759 . 1 1 119 119 HIS CB C 13 30.270 0.3 . 1 . . . . . 119 HIS CB . 27177 1 760 . 1 1 119 119 HIS N N 15 117.086 0.3 . 1 . . . . . 119 HIS N . 27177 1 stop_ save_