data_27576 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27576 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for A97S TTR in 5% DMSO ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-08-13 _Entry.Accession_date 2018-08-13 _Entry.Last_release_date 2018-08-14 _Entry.Original_release_date 2018-08-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _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 . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Tsyr-Yan Yu . . . . 27576 2 Yueh-Jung Yen . . . . 27576 3 Yu Chang . . . . 27576 4 Shing-Jong Huang . . . . 27576 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Academia Sinica' . 27576 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27576 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 126 27576 '15N chemical shifts' 117 27576 '1H chemical shifts' 117 27576 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 . . 2019-11-01 2018-08-13 update BMRB 'update entry citation' 27576 1 . . 2018-09-12 2018-08-13 original author 'original release' 27576 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27575 'wt TTR in 5% DMSO' 27576 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27576 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 31502419 _Citation.Full_citation . _Citation.Title ; Biophysical characterization and modulation of Transthyretin Ala97Ser ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Ann. Clin. Transl. Neurol.' _Citation.Journal_name_full 'Annals of clinical and translational neurology' _Citation.Journal_volume 6 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2328-9503 _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 1961 _Citation.Page_last 1970 _Citation.Year 2019 _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 Yo-Tsen Liu Y. T. . . 27576 1 2 Yueh-Jung Yen Y. J. . . 27576 1 3 Frans Ricardo F. . . . 27576 1 4 Yu Chang Y. . . . 27576 1 5 Pei-Hao Wu P. H. . . 27576 1 6 Shing-Jong Huang S. J. . . 27576 1 7 Kon-Ping Lin K. P. . . 27576 1 8 Tsyr-Yan Yu T. Y. . . 27576 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'A97S TTR' 27576 1 TTR 27576 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27576 _Assembly.ID 1 _Assembly.Name 'A97S TTR' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'A97S TTR' 1 $A97S_TTR A . yes native no no . . . 27576 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_A97S_TTR _Entity.Sf_category entity _Entity.Sf_framecode A97S_TTR _Entity.Entry_ID 27576 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name A97S_TTR _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 ; GPTGTGESKCPLMVKVLDAV RGSPAINVAVHVFRKAADDT WEPFASGKTSESGELHGLTT EEEFVEGIYKVEIDTKSYWK ALGISPFHEHAEVVFTSNDS GPRRYTIAALLSPYSYSTTA VVTNPKE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'A97S TTR' _Entity.Polymer_author_seq_details 'A97S mutation' _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 127 _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 . GLY . 27576 1 2 . PRO . 27576 1 3 . THR . 27576 1 4 . GLY . 27576 1 5 . THR . 27576 1 6 . GLY . 27576 1 7 . GLU . 27576 1 8 . SER . 27576 1 9 . LYS . 27576 1 10 . CYS . 27576 1 11 . PRO . 27576 1 12 . LEU . 27576 1 13 . MET . 27576 1 14 . VAL . 27576 1 15 . LYS . 27576 1 16 . VAL . 27576 1 17 . LEU . 27576 1 18 . ASP . 27576 1 19 . ALA . 27576 1 20 . VAL . 27576 1 21 . ARG . 27576 1 22 . GLY . 27576 1 23 . SER . 27576 1 24 . PRO . 27576 1 25 . ALA . 27576 1 26 . ILE . 27576 1 27 . ASN . 27576 1 28 . VAL . 27576 1 29 . ALA . 27576 1 30 . VAL . 27576 1 31 . HIS . 27576 1 32 . VAL . 27576 1 33 . PHE . 27576 1 34 . ARG . 27576 1 35 . LYS . 27576 1 36 . ALA . 27576 1 37 . ALA . 27576 1 38 . ASP . 27576 1 39 . ASP . 27576 1 40 . THR . 27576 1 41 . TRP . 27576 1 42 . GLU . 27576 1 43 . PRO . 27576 1 44 . PHE . 27576 1 45 . ALA . 27576 1 46 . SER . 27576 1 47 . GLY . 27576 1 48 . LYS . 27576 1 49 . THR . 27576 1 50 . SER . 27576 1 51 . GLU . 27576 1 52 . SER . 27576 1 53 . GLY . 27576 1 54 . GLU . 27576 1 55 . LEU . 27576 1 56 . HIS . 27576 1 57 . GLY . 27576 1 58 . LEU . 27576 1 59 . THR . 27576 1 60 . THR . 27576 1 61 . GLU . 27576 1 62 . GLU . 27576 1 63 . GLU . 27576 1 64 . PHE . 27576 1 65 . VAL . 27576 1 66 . GLU . 27576 1 67 . GLY . 27576 1 68 . ILE . 27576 1 69 . TYR . 27576 1 70 . LYS . 27576 1 71 . VAL . 27576 1 72 . GLU . 27576 1 73 . ILE . 27576 1 74 . ASP . 27576 1 75 . THR . 27576 1 76 . LYS . 27576 1 77 . SER . 27576 1 78 . TYR . 27576 1 79 . TRP . 27576 1 80 . LYS . 27576 1 81 . ALA . 27576 1 82 . LEU . 27576 1 83 . GLY . 27576 1 84 . ILE . 27576 1 85 . SER . 27576 1 86 . PRO . 27576 1 87 . PHE . 27576 1 88 . HIS . 27576 1 89 . GLU . 27576 1 90 . HIS . 27576 1 91 . ALA . 27576 1 92 . GLU . 27576 1 93 . VAL . 27576 1 94 . VAL . 27576 1 95 . PHE . 27576 1 96 . THR . 27576 1 97 . SER . 27576 1 98 . ASN . 27576 1 99 . ASP . 27576 1 100 . SER . 27576 1 101 . GLY . 27576 1 102 . PRO . 27576 1 103 . ARG . 27576 1 104 . ARG . 27576 1 105 . TYR . 27576 1 106 . THR . 27576 1 107 . ILE . 27576 1 108 . ALA . 27576 1 109 . ALA . 27576 1 110 . LEU . 27576 1 111 . LEU . 27576 1 112 . SER . 27576 1 113 . PRO . 27576 1 114 . TYR . 27576 1 115 . SER . 27576 1 116 . TYR . 27576 1 117 . SER . 27576 1 118 . THR . 27576 1 119 . THR . 27576 1 120 . ALA . 27576 1 121 . VAL . 27576 1 122 . VAL . 27576 1 123 . THR . 27576 1 124 . ASN . 27576 1 125 . PRO . 27576 1 126 . LYS . 27576 1 127 . GLU . 27576 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 27576 1 . PRO 2 2 27576 1 . THR 3 3 27576 1 . GLY 4 4 27576 1 . THR 5 5 27576 1 . GLY 6 6 27576 1 . GLU 7 7 27576 1 . SER 8 8 27576 1 . LYS 9 9 27576 1 . CYS 10 10 27576 1 . PRO 11 11 27576 1 . LEU 12 12 27576 1 . MET 13 13 27576 1 . VAL 14 14 27576 1 . LYS 15 15 27576 1 . VAL 16 16 27576 1 . LEU 17 17 27576 1 . ASP 18 18 27576 1 . ALA 19 19 27576 1 . VAL 20 20 27576 1 . ARG 21 21 27576 1 . GLY 22 22 27576 1 . SER 23 23 27576 1 . PRO 24 24 27576 1 . ALA 25 25 27576 1 . ILE 26 26 27576 1 . ASN 27 27 27576 1 . VAL 28 28 27576 1 . ALA 29 29 27576 1 . VAL 30 30 27576 1 . HIS 31 31 27576 1 . VAL 32 32 27576 1 . PHE 33 33 27576 1 . ARG 34 34 27576 1 . LYS 35 35 27576 1 . ALA 36 36 27576 1 . ALA 37 37 27576 1 . ASP 38 38 27576 1 . ASP 39 39 27576 1 . THR 40 40 27576 1 . TRP 41 41 27576 1 . GLU 42 42 27576 1 . PRO 43 43 27576 1 . PHE 44 44 27576 1 . ALA 45 45 27576 1 . SER 46 46 27576 1 . GLY 47 47 27576 1 . LYS 48 48 27576 1 . THR 49 49 27576 1 . SER 50 50 27576 1 . GLU 51 51 27576 1 . SER 52 52 27576 1 . GLY 53 53 27576 1 . GLU 54 54 27576 1 . LEU 55 55 27576 1 . HIS 56 56 27576 1 . GLY 57 57 27576 1 . LEU 58 58 27576 1 . THR 59 59 27576 1 . THR 60 60 27576 1 . GLU 61 61 27576 1 . GLU 62 62 27576 1 . GLU 63 63 27576 1 . PHE 64 64 27576 1 . VAL 65 65 27576 1 . GLU 66 66 27576 1 . GLY 67 67 27576 1 . ILE 68 68 27576 1 . TYR 69 69 27576 1 . LYS 70 70 27576 1 . VAL 71 71 27576 1 . GLU 72 72 27576 1 . ILE 73 73 27576 1 . ASP 74 74 27576 1 . THR 75 75 27576 1 . LYS 76 76 27576 1 . SER 77 77 27576 1 . TYR 78 78 27576 1 . TRP 79 79 27576 1 . LYS 80 80 27576 1 . ALA 81 81 27576 1 . LEU 82 82 27576 1 . GLY 83 83 27576 1 . ILE 84 84 27576 1 . SER 85 85 27576 1 . PRO 86 86 27576 1 . PHE 87 87 27576 1 . HIS 88 88 27576 1 . GLU 89 89 27576 1 . HIS 90 90 27576 1 . ALA 91 91 27576 1 . GLU 92 92 27576 1 . VAL 93 93 27576 1 . VAL 94 94 27576 1 . PHE 95 95 27576 1 . THR 96 96 27576 1 . SER 97 97 27576 1 . ASN 98 98 27576 1 . ASP 99 99 27576 1 . SER 100 100 27576 1 . GLY 101 101 27576 1 . PRO 102 102 27576 1 . ARG 103 103 27576 1 . ARG 104 104 27576 1 . TYR 105 105 27576 1 . THR 106 106 27576 1 . ILE 107 107 27576 1 . ALA 108 108 27576 1 . ALA 109 109 27576 1 . LEU 110 110 27576 1 . LEU 111 111 27576 1 . SER 112 112 27576 1 . PRO 113 113 27576 1 . TYR 114 114 27576 1 . SER 115 115 27576 1 . TYR 116 116 27576 1 . SER 117 117 27576 1 . THR 118 118 27576 1 . THR 119 119 27576 1 . ALA 120 120 27576 1 . VAL 121 121 27576 1 . VAL 122 122 27576 1 . THR 123 123 27576 1 . ASN 124 124 27576 1 . PRO 125 125 27576 1 . LYS 126 126 27576 1 . GLU 127 127 27576 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 27576 _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 $A97S_TTR . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27576 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 27576 _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 $A97S_TTR . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET21b . . . 27576 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27576 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '94% H2O/6% 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 'A97S TTR' '[U-13C; U-15N; U-2H]' . . 1 $A97S_TTR . . 0.75 0.6 0.9 mM . . . . 27576 1 2 D2O '[U-99% 2H]' . . . . . . 6 . . % . . . . 27576 1 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 27576 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27576 1 5 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 27576 1 6 DMSO 'natural abundance' . . . . . . 5 . . % . . . . 27576 1 7 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 27576 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 27576 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 25 . mM 27576 1 pH 6.5 . pH 27576 1 pressure 1 . atm 27576 1 temperature 37 . K 27576 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 27576 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Rochus Keller' . . 27576 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27576 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 27576 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27576 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 27576 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27576 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 27576 1 2 spectrometer_2 Bruker Avance . 800 . . . 27576 1 3 spectrometer_3 Bruker Avance . 850 . . . 27576 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 27576 _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 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27576 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27576 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27576 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27576 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27576 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 27576 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 27576 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 27576 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 27576 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 27576 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27576 1 2 '3D HNCA' . . . 27576 1 3 '3D HNCACB' . . . 27576 1 4 '3D HN(CO)CA' . . . 27576 1 5 '3D 1H-15N NOESY' . . . 27576 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 2 2 PRO CA C 13 62.986 . . . . . . . . 2 PRO CA . 27576 1 2 . 1 1 3 3 THR H H 1 8.199 . . . . . . . . 3 THR H . 27576 1 3 . 1 1 3 3 THR CA C 13 61.777 . . . . . . . . 3 THR CA . 27576 1 4 . 1 1 3 3 THR N N 15 114.253 . . . . . . . . 3 THR N . 27576 1 5 . 1 1 4 4 GLY H H 1 8.319 . . . . . . . . 4 GLY H . 27576 1 6 . 1 1 4 4 GLY CA C 13 45.084 . . . . . . . . 4 GLY CA . 27576 1 7 . 1 1 4 4 GLY N N 15 111.221 . . . . . . . . 4 GLY N . 27576 1 8 . 1 1 5 5 THR H H 1 8.013 . . . . . . . . 5 THR H . 27576 1 9 . 1 1 5 5 THR CA C 13 61.664 . . . . . . . . 5 THR CA . 27576 1 10 . 1 1 5 5 THR N N 15 113.244 . . . . . . . . 5 THR N . 27576 1 11 . 1 1 6 6 GLY H H 1 8.289 . . . . . . . . 6 GLY H . 27576 1 12 . 1 1 6 6 GLY CA C 13 45.021 . . . . . . . . 6 GLY CA . 27576 1 13 . 1 1 6 6 GLY N N 15 111.328 . . . . . . . . 6 GLY N . 27576 1 14 . 1 1 7 7 GLU H H 1 8.102 . . . . . . . . 7 GLU H . 27576 1 15 . 1 1 7 7 GLU CA C 13 56.269 . . . . . . . . 7 GLU CA . 27576 1 16 . 1 1 7 7 GLU N N 15 120.886 . . . . . . . . 7 GLU N . 27576 1 17 . 1 1 8 8 SER H H 1 8.215 . . . . . . . . 8 SER H . 27576 1 18 . 1 1 8 8 SER CA C 13 58.253 . . . . . . . . 8 SER CA . 27576 1 19 . 1 1 8 8 SER N N 15 117.129 . . . . . . . . 8 SER N . 27576 1 20 . 1 1 9 9 LYS H H 1 8.341 . . . . . . . . 9 LYS H . 27576 1 21 . 1 1 9 9 LYS CA C 13 55.375 . . . . . . . . 9 LYS CA . 27576 1 22 . 1 1 9 9 LYS N N 15 123.339 . . . . . . . . 9 LYS N . 27576 1 23 . 1 1 10 10 CYS H H 1 8.115 . . . . . . . . 10 CYS H . 27576 1 24 . 1 1 10 10 CYS CA C 13 55.127 . . . . . . . . 10 CYS CA . 27576 1 25 . 1 1 10 10 CYS N N 15 121.822 . . . . . . . . 10 CYS N . 27576 1 26 . 1 1 11 11 PRO CA C 13 63.99 . . . . . . . . 11 PRO CA . 27576 1 27 . 1 1 12 12 LEU H H 1 6.861 . . . . . . . . 12 LEU H . 27576 1 28 . 1 1 12 12 LEU CA C 13 53.424 . . . . . . . . 12 LEU CA . 27576 1 29 . 1 1 12 12 LEU N N 15 120.307 . . . . . . . . 12 LEU N . 27576 1 30 . 1 1 13 13 MET H H 1 8.61 . . . . . . . . 13 MET H . 27576 1 31 . 1 1 13 13 MET CA C 13 54.476 . . . . . . . . 13 MET CA . 27576 1 32 . 1 1 13 13 MET N N 15 126.545 . . . . . . . . 13 MET N . 27576 1 33 . 1 1 14 14 VAL H H 1 7.405 . . . . . . . . 14 VAL H . 27576 1 34 . 1 1 14 14 VAL CA C 13 59.815 . . . . . . . . 14 VAL CA . 27576 1 35 . 1 1 14 14 VAL N N 15 122.517 . . . . . . . . 14 VAL N . 27576 1 36 . 1 1 15 15 LYS H H 1 8.734 . . . . . . . . 15 LYS H . 27576 1 37 . 1 1 15 15 LYS CA C 13 54.386 . . . . . . . . 15 LYS CA . 27576 1 38 . 1 1 15 15 LYS N N 15 127.413 . . . . . . . . 15 LYS N . 27576 1 39 . 1 1 16 16 VAL H H 1 8.986 . . . . . . . . 16 VAL H . 27576 1 40 . 1 1 16 16 VAL CA C 13 60.559 . . . . . . . . 16 VAL CA . 27576 1 41 . 1 1 16 16 VAL N N 15 124.43 . . . . . . . . 16 VAL N . 27576 1 42 . 1 1 17 17 LEU H H 1 8.51 . . . . . . . . 17 LEU H . 27576 1 43 . 1 1 17 17 LEU CA C 13 53.46 . . . . . . . . 17 LEU CA . 27576 1 44 . 1 1 17 17 LEU N N 15 126.66 . . . . . . . . 17 LEU N . 27576 1 45 . 1 1 18 18 ASP H H 1 8.63 . . . . . . . . 18 ASP H . 27576 1 46 . 1 1 18 18 ASP CA C 13 52.916 . . . . . . . . 18 ASP CA . 27576 1 47 . 1 1 18 18 ASP N N 15 122.095 . . . . . . . . 18 ASP N . 27576 1 48 . 1 1 19 19 ALA H H 1 9.002 . . . . . . . . 19 ALA H . 27576 1 49 . 1 1 19 19 ALA CA C 13 53.312 . . . . . . . . 19 ALA CA . 27576 1 50 . 1 1 19 19 ALA N N 15 127.644 . . . . . . . . 19 ALA N . 27576 1 51 . 1 1 20 20 VAL H H 1 9.6 . . . . . . . . 20 VAL H . 27576 1 52 . 1 1 20 20 VAL CA C 13 65.25 . . . . . . . . 20 VAL CA . 27576 1 53 . 1 1 20 20 VAL N N 15 120.678 . . . . . . . . 20 VAL N . 27576 1 54 . 1 1 21 21 ARG H H 1 8.229 . . . . . . . . 21 ARG H . 27576 1 55 . 1 1 21 21 ARG CA C 13 55.059 . . . . . . . . 21 ARG CA . 27576 1 56 . 1 1 21 21 ARG N N 15 116.715 . . . . . . . . 21 ARG N . 27576 1 57 . 1 1 22 22 GLY H H 1 7.391 . . . . . . . . 22 GLY H . 27576 1 58 . 1 1 22 22 GLY CA C 13 46.955 . . . . . . . . 22 GLY CA . 27576 1 59 . 1 1 22 22 GLY N N 15 109.488 . . . . . . . . 22 GLY N . 27576 1 60 . 1 1 23 23 SER H H 1 7.367 . . . . . . . . 23 SER H . 27576 1 61 . 1 1 23 23 SER CA C 13 54.829 . . . . . . . . 23 SER CA . 27576 1 62 . 1 1 23 23 SER N N 15 111.361 . . . . . . . . 23 SER N . 27576 1 63 . 1 1 24 24 PRO CA C 13 62.716 . . . . . . . . 24 PRO CA . 27576 1 64 . 1 1 25 25 ALA H H 1 8.039 . . . . . . . . 25 ALA H . 27576 1 65 . 1 1 25 25 ALA CA C 13 50.377 . . . . . . . . 25 ALA CA . 27576 1 66 . 1 1 25 25 ALA N N 15 127.788 . . . . . . . . 25 ALA N . 27576 1 67 . 1 1 26 26 ILE H H 1 7.8 . . . . . . . . 26 ILE H . 27576 1 68 . 1 1 26 26 ILE CA C 13 61.526 . . . . . . . . 26 ILE CA . 27576 1 69 . 1 1 26 26 ILE N N 15 127.275 . . . . . . . . 26 ILE N . 27576 1 70 . 1 1 27 27 ASN H H 1 7.722 . . . . . . . . 27 ASN H . 27576 1 71 . 1 1 27 27 ASN CA C 13 54.176 . . . . . . . . 27 ASN CA . 27576 1 72 . 1 1 27 27 ASN N N 15 122.368 . . . . . . . . 27 ASN N . 27576 1 73 . 1 1 28 28 VAL H H 1 8.303 . . . . . . . . 28 VAL H . 27576 1 74 . 1 1 28 28 VAL CA C 13 61.61 . . . . . . . . 28 VAL CA . 27576 1 75 . 1 1 28 28 VAL N N 15 120.285 . . . . . . . . 28 VAL N . 27576 1 76 . 1 1 29 29 ALA H H 1 9.08 . . . . . . . . 29 ALA H . 27576 1 77 . 1 1 29 29 ALA CA C 13 52.408 . . . . . . . . 29 ALA CA . 27576 1 78 . 1 1 29 29 ALA N N 15 130.928 . . . . . . . . 29 ALA N . 27576 1 79 . 1 1 30 30 VAL H H 1 8.33 . . . . . . . . 30 VAL H . 27576 1 80 . 1 1 30 30 VAL CA C 13 60.338 . . . . . . . . 30 VAL CA . 27576 1 81 . 1 1 30 30 VAL N N 15 122.476 . . . . . . . . 30 VAL N . 27576 1 82 . 1 1 31 31 HIS H H 1 8.946 . . . . . . . . 31 HIS H . 27576 1 83 . 1 1 31 31 HIS CA C 13 54.6 . . . . . . . . 31 HIS CA . 27576 1 84 . 1 1 31 31 HIS N N 15 124.523 . . . . . . . . 31 HIS N . 27576 1 85 . 1 1 32 32 VAL H H 1 9.152 . . . . . . . . 32 VAL H . 27576 1 86 . 1 1 32 32 VAL CA C 13 59.82 . . . . . . . . 32 VAL CA . 27576 1 87 . 1 1 32 32 VAL N N 15 122.219 . . . . . . . . 32 VAL N . 27576 1 88 . 1 1 33 33 PHE H H 1 9.885 . . . . . . . . 33 PHE H . 27576 1 89 . 1 1 33 33 PHE CA C 13 55.979 . . . . . . . . 33 PHE CA . 27576 1 90 . 1 1 33 33 PHE N N 15 128.419 . . . . . . . . 33 PHE N . 27576 1 91 . 1 1 34 34 ARG H H 1 9.4 . . . . . . . . 34 ARG H . 27576 1 92 . 1 1 34 34 ARG CA C 13 53.891 . . . . . . . . 34 ARG CA . 27576 1 93 . 1 1 34 34 ARG N N 15 122.617 . . . . . . . . 34 ARG N . 27576 1 94 . 1 1 35 35 LYS H H 1 8.481 . . . . . . . . 35 LYS H . 27576 1 95 . 1 1 35 35 LYS CA C 13 57.006 . . . . . . . . 35 LYS CA . 27576 1 96 . 1 1 35 35 LYS N N 15 130.17 . . . . . . . . 35 LYS N . 27576 1 97 . 1 1 36 36 ALA H H 1 8.744 . . . . . . . . 36 ALA H . 27576 1 98 . 1 1 36 36 ALA CA C 13 50.673 . . . . . . . . 36 ALA CA . 27576 1 99 . 1 1 36 36 ALA N N 15 131.267 . . . . . . . . 36 ALA N . 27576 1 100 . 1 1 37 37 ALA H H 1 8.305 . . . . . . . . 37 ALA H . 27576 1 101 . 1 1 37 37 ALA CA C 13 53.803 . . . . . . . . 37 ALA CA . 27576 1 102 . 1 1 37 37 ALA N N 15 122.34 . . . . . . . . 37 ALA N . 27576 1 103 . 1 1 38 38 ASP H H 1 7.644 . . . . . . . . 38 ASP H . 27576 1 104 . 1 1 38 38 ASP CA C 13 52.983 . . . . . . . . 38 ASP CA . 27576 1 105 . 1 1 38 38 ASP N N 15 115.954 . . . . . . . . 38 ASP N . 27576 1 106 . 1 1 39 39 ASP H H 1 7.86 . . . . . . . . 39 ASP H . 27576 1 107 . 1 1 39 39 ASP CA C 13 55.816 . . . . . . . . 39 ASP CA . 27576 1 108 . 1 1 39 39 ASP N N 15 113.423 . . . . . . . . 39 ASP N . 27576 1 109 . 1 1 40 40 THR H H 1 7.222 . . . . . . . . 40 THR H . 27576 1 110 . 1 1 40 40 THR CA C 13 61.28 . . . . . . . . 40 THR CA . 27576 1 111 . 1 1 40 40 THR N N 15 110.979 . . . . . . . . 40 THR N . 27576 1 112 . 1 1 41 41 TRP H H 1 8.332 . . . . . . . . 41 TRP H . 27576 1 113 . 1 1 41 41 TRP CA C 13 55.399 . . . . . . . . 41 TRP CA . 27576 1 114 . 1 1 41 41 TRP N N 15 120.498 . . . . . . . . 41 TRP N . 27576 1 115 . 1 1 42 42 GLU H H 1 9.196 . . . . . . . . 42 GLU H . 27576 1 116 . 1 1 42 42 GLU CA C 13 52.876 . . . . . . . . 42 GLU CA . 27576 1 117 . 1 1 42 42 GLU N N 15 126.706 . . . . . . . . 42 GLU N . 27576 1 118 . 1 1 43 43 PRO CA C 13 64.489 . . . . . . . . 43 PRO CA . 27576 1 119 . 1 1 44 44 PHE H H 1 8.762 . . . . . . . . 44 PHE H . 27576 1 120 . 1 1 44 44 PHE CA C 13 58.858 . . . . . . . . 44 PHE CA . 27576 1 121 . 1 1 44 44 PHE N N 15 125.153 . . . . . . . . 44 PHE N . 27576 1 122 . 1 1 45 45 ALA H H 1 7.828 . . . . . . . . 45 ALA H . 27576 1 123 . 1 1 45 45 ALA CA C 13 52.075 . . . . . . . . 45 ALA CA . 27576 1 124 . 1 1 45 45 ALA N N 15 119.035 . . . . . . . . 45 ALA N . 27576 1 125 . 1 1 46 46 SER H H 1 8.462 . . . . . . . . 46 SER H . 27576 1 126 . 1 1 46 46 SER CA C 13 57.412 . . . . . . . . 46 SER CA . 27576 1 127 . 1 1 46 46 SER N N 15 113.814 . . . . . . . . 46 SER N . 27576 1 128 . 1 1 47 47 GLY H H 1 8.363 . . . . . . . . 47 GLY H . 27576 1 129 . 1 1 47 47 GLY CA C 13 45.349 . . . . . . . . 47 GLY CA . 27576 1 130 . 1 1 47 47 GLY N N 15 107.058 . . . . . . . . 47 GLY N . 27576 1 131 . 1 1 48 48 LYS H H 1 8.386 . . . . . . . . 48 LYS H . 27576 1 132 . 1 1 48 48 LYS CA C 13 53.547 . . . . . . . . 48 LYS CA . 27576 1 133 . 1 1 48 48 LYS N N 15 120.219 . . . . . . . . 48 LYS N . 27576 1 134 . 1 1 49 49 THR H H 1 8.604 . . . . . . . . 49 THR H . 27576 1 135 . 1 1 49 49 THR CA C 13 61.957 . . . . . . . . 49 THR CA . 27576 1 136 . 1 1 49 49 THR N N 15 111.894 . . . . . . . . 49 THR N . 27576 1 137 . 1 1 50 50 SER H H 1 8.469 . . . . . . . . 50 SER H . 27576 1 138 . 1 1 50 50 SER CA C 13 56.939 . . . . . . . . 50 SER CA . 27576 1 139 . 1 1 50 50 SER N N 15 118.387 . . . . . . . . 50 SER N . 27576 1 140 . 1 1 51 51 GLU H H 1 9.003 . . . . . . . . 51 GLU H . 27576 1 141 . 1 1 51 51 GLU CA C 13 58.888 . . . . . . . . 51 GLU CA . 27576 1 142 . 1 1 51 51 GLU N N 15 118.882 . . . . . . . . 51 GLU N . 27576 1 143 . 1 1 52 52 SER H H 1 8.033 . . . . . . . . 52 SER H . 27576 1 144 . 1 1 52 52 SER CA C 13 57.349 . . . . . . . . 52 SER CA . 27576 1 145 . 1 1 52 52 SER N N 15 111.815 . . . . . . . . 52 SER N . 27576 1 146 . 1 1 53 53 GLY H H 1 8.476 . . . . . . . . 53 GLY H . 27576 1 147 . 1 1 53 53 GLY CA C 13 45.225 . . . . . . . . 53 GLY CA . 27576 1 148 . 1 1 53 53 GLY N N 15 112.355 . . . . . . . . 53 GLY N . 27576 1 149 . 1 1 54 54 GLU H H 1 7.119 . . . . . . . . 54 GLU H . 27576 1 150 . 1 1 54 54 GLU CA C 13 54.128 . . . . . . . . 54 GLU CA . 27576 1 151 . 1 1 54 54 GLU N N 15 116.055 . . . . . . . . 54 GLU N . 27576 1 152 . 1 1 55 55 LEU H H 1 8.566 . . . . . . . . 55 LEU H . 27576 1 153 . 1 1 55 55 LEU CA C 13 53.896 . . . . . . . . 55 LEU CA . 27576 1 154 . 1 1 55 55 LEU N N 15 123.769 . . . . . . . . 55 LEU N . 27576 1 155 . 1 1 56 56 HIS CA C 13 53.984 . . . . . . . . 56 HIS CA . 27576 1 156 . 1 1 57 57 GLY H H 1 9.039 . . . . . . . . 57 GLY H . 27576 1 157 . 1 1 57 57 GLY CA C 13 46.293 . . . . . . . . 57 GLY CA . 27576 1 158 . 1 1 57 57 GLY N N 15 109.487 . . . . . . . . 57 GLY N . 27576 1 159 . 1 1 58 58 LEU H H 1 8.262 . . . . . . . . 58 LEU H . 27576 1 160 . 1 1 58 58 LEU CA C 13 57.099 . . . . . . . . 58 LEU CA . 27576 1 161 . 1 1 58 58 LEU N N 15 120.087 . . . . . . . . 58 LEU N . 27576 1 162 . 1 1 59 59 THR H H 1 7.232 . . . . . . . . 59 THR H . 27576 1 163 . 1 1 59 59 THR CA C 13 59.368 . . . . . . . . 59 THR CA . 27576 1 164 . 1 1 59 59 THR N N 15 107.954 . . . . . . . . 59 THR N . 27576 1 165 . 1 1 60 60 THR H H 1 8.399 . . . . . . . . 60 THR H . 27576 1 166 . 1 1 60 60 THR CA C 13 59.491 . . . . . . . . 60 THR CA . 27576 1 167 . 1 1 60 60 THR N N 15 112.36 . . . . . . . . 60 THR N . 27576 1 168 . 1 1 61 61 GLU H H 1 8.758 . . . . . . . . 61 GLU H . 27576 1 169 . 1 1 61 61 GLU CA C 13 59.486 . . . . . . . . 61 GLU CA . 27576 1 170 . 1 1 61 61 GLU N N 15 121.176 . . . . . . . . 61 GLU N . 27576 1 171 . 1 1 62 62 GLU H H 1 8.587 . . . . . . . . 62 GLU H . 27576 1 172 . 1 1 62 62 GLU CA C 13 58.616 . . . . . . . . 62 GLU CA . 27576 1 173 . 1 1 62 62 GLU N N 15 116.563 . . . . . . . . 62 GLU N . 27576 1 174 . 1 1 63 63 GLU H H 1 7.295 . . . . . . . . 63 GLU H . 27576 1 175 . 1 1 63 63 GLU CA C 13 56.78 . . . . . . . . 63 GLU CA . 27576 1 176 . 1 1 63 63 GLU N N 15 115.88 . . . . . . . . 63 GLU N . 27576 1 177 . 1 1 64 64 PHE H H 1 7.812 . . . . . . . . 64 PHE H . 27576 1 178 . 1 1 64 64 PHE CA C 13 55.974 . . . . . . . . 64 PHE CA . 27576 1 179 . 1 1 64 64 PHE N N 15 124.254 . . . . . . . . 64 PHE N . 27576 1 180 . 1 1 65 65 VAL H H 1 7.154 . . . . . . . . 65 VAL H . 27576 1 181 . 1 1 65 65 VAL CA C 13 60.11 . . . . . . . . 65 VAL CA . 27576 1 182 . 1 1 65 65 VAL N N 15 117.509 . . . . . . . . 65 VAL N . 27576 1 183 . 1 1 66 66 GLU H H 1 8.441 . . . . . . . . 66 GLU H . 27576 1 184 . 1 1 66 66 GLU CA C 13 56.932 . . . . . . . . 66 GLU CA . 27576 1 185 . 1 1 66 66 GLU N N 15 121.961 . . . . . . . . 66 GLU N . 27576 1 186 . 1 1 67 67 GLY H H 1 7.947 . . . . . . . . 67 GLY H . 27576 1 187 . 1 1 67 67 GLY CA C 13 44.541 . . . . . . . . 67 GLY CA . 27576 1 188 . 1 1 67 67 GLY N N 15 110.615 . . . . . . . . 67 GLY N . 27576 1 189 . 1 1 68 68 ILE H H 1 8.166 . . . . . . . . 68 ILE H . 27576 1 190 . 1 1 68 68 ILE CA C 13 60.635 . . . . . . . . 68 ILE CA . 27576 1 191 . 1 1 68 68 ILE N N 15 121.085 . . . . . . . . 68 ILE N . 27576 1 192 . 1 1 69 69 TYR H H 1 8.55 . . . . . . . . 69 TYR H . 27576 1 193 . 1 1 69 69 TYR CA C 13 56.535 . . . . . . . . 69 TYR CA . 27576 1 194 . 1 1 69 69 TYR N N 15 124.899 . . . . . . . . 69 TYR N . 27576 1 195 . 1 1 70 70 LYS H H 1 8.608 . . . . . . . . 70 LYS H . 27576 1 196 . 1 1 70 70 LYS CA C 13 53.357 . . . . . . . . 70 LYS CA . 27576 1 197 . 1 1 70 70 LYS N N 15 118.831 . . . . . . . . 70 LYS N . 27576 1 198 . 1 1 71 71 VAL H H 1 9.596 . . . . . . . . 71 VAL H . 27576 1 199 . 1 1 71 71 VAL CA C 13 60.948 . . . . . . . . 71 VAL CA . 27576 1 200 . 1 1 71 71 VAL N N 15 127.684 . . . . . . . . 71 VAL N . 27576 1 201 . 1 1 72 72 GLU H H 1 9.648 . . . . . . . . 72 GLU H . 27576 1 202 . 1 1 72 72 GLU CA C 13 54.922 . . . . . . . . 72 GLU CA . 27576 1 203 . 1 1 72 72 GLU N N 15 128.396 . . . . . . . . 72 GLU N . 27576 1 204 . 1 1 73 73 ILE H H 1 9.099 . . . . . . . . 73 ILE H . 27576 1 205 . 1 1 73 73 ILE CA C 13 60.157 . . . . . . . . 73 ILE CA . 27576 1 206 . 1 1 73 73 ILE N N 15 126.252 . . . . . . . . 73 ILE N . 27576 1 207 . 1 1 74 74 ASP H H 1 8.873 . . . . . . . . 74 ASP H . 27576 1 208 . 1 1 74 74 ASP CA C 13 53.245 . . . . . . . . 74 ASP CA . 27576 1 209 . 1 1 74 74 ASP N N 15 128.459 . . . . . . . . 74 ASP N . 27576 1 210 . 1 1 75 75 THR H H 1 8.166 . . . . . . . . 75 THR H . 27576 1 211 . 1 1 75 75 THR CA C 13 64.343 . . . . . . . . 75 THR CA . 27576 1 212 . 1 1 75 75 THR N N 15 117.681 . . . . . . . . 75 THR N . 27576 1 213 . 1 1 76 76 LYS H H 1 7.513 . . . . . . . . 76 LYS H . 27576 1 214 . 1 1 76 76 LYS CA C 13 60.128 . . . . . . . . 76 LYS CA . 27576 1 215 . 1 1 76 76 LYS N N 15 124.712 . . . . . . . . 76 LYS N . 27576 1 216 . 1 1 77 77 SER H H 1 8.133 . . . . . . . . 77 SER H . 27576 1 217 . 1 1 77 77 SER CA C 13 61.483 . . . . . . . . 77 SER CA . 27576 1 218 . 1 1 77 77 SER N N 15 113.391 . . . . . . . . 77 SER N . 27576 1 219 . 1 1 78 78 TYR H H 1 6.701 . . . . . . . . 78 TYR H . 27576 1 220 . 1 1 78 78 TYR CA C 13 60.917 . . . . . . . . 78 TYR CA . 27576 1 221 . 1 1 78 78 TYR N N 15 121.451 . . . . . . . . 78 TYR N . 27576 1 222 . 1 1 79 79 TRP H H 1 7.724 . . . . . . . . 79 TRP H . 27576 1 223 . 1 1 79 79 TRP CA C 13 59.03 . . . . . . . . 79 TRP CA . 27576 1 224 . 1 1 79 79 TRP N N 15 117.578 . . . . . . . . 79 TRP N . 27576 1 225 . 1 1 80 80 LYS H H 1 8.703 . . . . . . . . 80 LYS H . 27576 1 226 . 1 1 80 80 LYS CA C 13 59.303 . . . . . . . . 80 LYS CA . 27576 1 227 . 1 1 80 80 LYS N N 15 118.747 . . . . . . . . 80 LYS N . 27576 1 228 . 1 1 81 81 ALA H H 1 7.479 . . . . . . . . 81 ALA H . 27576 1 229 . 1 1 81 81 ALA CA C 13 54.167 . . . . . . . . 81 ALA CA . 27576 1 230 . 1 1 81 81 ALA N N 15 122.394 . . . . . . . . 81 ALA N . 27576 1 231 . 1 1 82 82 LEU H H 1 7.223 . . . . . . . . 82 LEU H . 27576 1 232 . 1 1 82 82 LEU CA C 13 54.183 . . . . . . . . 82 LEU CA . 27576 1 233 . 1 1 82 82 LEU N N 15 117.7 . . . . . . . . 82 LEU N . 27576 1 234 . 1 1 83 83 GLY H H 1 7.889 . . . . . . . . 83 GLY H . 27576 1 235 . 1 1 83 83 GLY CA C 13 45.31 . . . . . . . . 83 GLY CA . 27576 1 236 . 1 1 83 83 GLY N N 15 107.697 . . . . . . . . 83 GLY N . 27576 1 237 . 1 1 84 84 ILE H H 1 7.883 . . . . . . . . 84 ILE H . 27576 1 238 . 1 1 84 84 ILE CA C 13 59.441 . . . . . . . . 84 ILE CA . 27576 1 239 . 1 1 84 84 ILE N N 15 123.1 . . . . . . . . 84 ILE N . 27576 1 240 . 1 1 85 85 SER H H 1 8.374 . . . . . . . . 85 SER H . 27576 1 241 . 1 1 85 85 SER CA C 13 54.526 . . . . . . . . 85 SER CA . 27576 1 242 . 1 1 85 85 SER N N 15 121.983 . . . . . . . . 85 SER N . 27576 1 243 . 1 1 86 86 PRO CA C 13 61.185 . . . . . . . . 86 PRO CA . 27576 1 244 . 1 1 87 87 PHE H H 1 7.229 . . . . . . . . 87 PHE H . 27576 1 245 . 1 1 87 87 PHE CA C 13 60.312 . . . . . . . . 87 PHE CA . 27576 1 246 . 1 1 87 87 PHE N N 15 116.436 . . . . . . . . 87 PHE N . 27576 1 247 . 1 1 88 88 HIS H H 1 7.627 . . . . . . . . 88 HIS H . 27576 1 248 . 1 1 88 88 HIS CA C 13 57.815 . . . . . . . . 88 HIS CA . 27576 1 249 . 1 1 88 88 HIS N N 15 113.52 . . . . . . . . 88 HIS N . 27576 1 250 . 1 1 89 89 GLU H H 1 8.037 . . . . . . . . 89 GLU H . 27576 1 251 . 1 1 89 89 GLU CA C 13 54.495 . . . . . . . . 89 GLU CA . 27576 1 252 . 1 1 89 89 GLU N N 15 121.472 . . . . . . . . 89 GLU N . 27576 1 253 . 1 1 90 90 HIS H H 1 8.056 . . . . . . . . 90 HIS H . 27576 1 254 . 1 1 90 90 HIS CA C 13 54.414 . . . . . . . . 90 HIS CA . 27576 1 255 . 1 1 90 90 HIS N N 15 119.576 . . . . . . . . 90 HIS N . 27576 1 256 . 1 1 91 91 ALA H H 1 8.352 . . . . . . . . 91 ALA H . 27576 1 257 . 1 1 91 91 ALA CA C 13 51.541 . . . . . . . . 91 ALA CA . 27576 1 258 . 1 1 91 91 ALA N N 15 120.07 . . . . . . . . 91 ALA N . 27576 1 259 . 1 1 92 92 GLU H H 1 8.219 . . . . . . . . 92 GLU H . 27576 1 260 . 1 1 92 92 GLU CA C 13 54.25 . . . . . . . . 92 GLU CA . 27576 1 261 . 1 1 92 92 GLU N N 15 121.792 . . . . . . . . 92 GLU N . 27576 1 262 . 1 1 93 93 VAL H H 1 8.805 . . . . . . . . 93 VAL H . 27576 1 263 . 1 1 93 93 VAL CA C 13 61.293 . . . . . . . . 93 VAL CA . 27576 1 264 . 1 1 93 93 VAL N N 15 122.055 . . . . . . . . 93 VAL N . 27576 1 265 . 1 1 94 94 VAL H H 1 9.08 . . . . . . . . 94 VAL H . 27576 1 266 . 1 1 94 94 VAL CA C 13 60.791 . . . . . . . . 94 VAL CA . 27576 1 267 . 1 1 94 94 VAL N N 15 128.282 . . . . . . . . 94 VAL N . 27576 1 268 . 1 1 95 95 PHE H H 1 8.934 . . . . . . . . 95 PHE H . 27576 1 269 . 1 1 95 95 PHE CA C 13 55.687 . . . . . . . . 95 PHE CA . 27576 1 270 . 1 1 95 95 PHE N N 15 124.884 . . . . . . . . 95 PHE N . 27576 1 271 . 1 1 96 96 THR H H 1 8.575 . . . . . . . . 96 THR H . 27576 1 272 . 1 1 96 96 THR CA C 13 61.466 . . . . . . . . 96 THR CA . 27576 1 273 . 1 1 96 96 THR N N 15 116.632 . . . . . . . . 96 THR N . 27576 1 274 . 1 1 97 97 SER H H 1 9.019 . . . . . . . . 97 SER H . 27576 1 275 . 1 1 97 97 SER CA C 13 56.648 . . . . . . . . 97 SER CA . 27576 1 276 . 1 1 97 97 SER N N 15 121.343 . . . . . . . . 97 SER N . 27576 1 277 . 1 1 98 98 ASN H H 1 8.245 . . . . . . . . 98 ASN H . 27576 1 278 . 1 1 98 98 ASN CA C 13 53.228 . . . . . . . . 98 ASN CA . 27576 1 279 . 1 1 98 98 ASN N N 15 121.017 . . . . . . . . 98 ASN N . 27576 1 280 . 1 1 99 99 ASP H H 1 8.591 . . . . . . . . 99 ASP H . 27576 1 281 . 1 1 99 99 ASP CA C 13 54.453 . . . . . . . . 99 ASP CA . 27576 1 282 . 1 1 99 99 ASP N N 15 121.041 . . . . . . . . 99 ASP N . 27576 1 283 . 1 1 100 100 SER H H 1 8.29 . . . . . . . . 100 SER H . 27576 1 284 . 1 1 100 100 SER CA C 13 58.12 . . . . . . . . 100 SER CA . 27576 1 285 . 1 1 100 100 SER N N 15 115.71 . . . . . . . . 100 SER N . 27576 1 286 . 1 1 101 101 GLY H H 1 7.816 . . . . . . . . 101 GLY H . 27576 1 287 . 1 1 101 101 GLY CA C 13 43.988 . . . . . . . . 101 GLY CA . 27576 1 288 . 1 1 101 101 GLY N N 15 110.855 . . . . . . . . 101 GLY N . 27576 1 289 . 1 1 102 102 PRO CA C 13 57.812 . . . . . . . . 102 PRO CA . 27576 1 290 . 1 1 103 103 ARG H H 1 8.847 . . . . . . . . 103 ARG H . 27576 1 291 . 1 1 103 103 ARG CA C 13 57.856 . . . . . . . . 103 ARG CA . 27576 1 292 . 1 1 103 103 ARG N N 15 121.281 . . . . . . . . 103 ARG N . 27576 1 293 . 1 1 104 104 ARG H H 1 7.228 . . . . . . . . 104 ARG H . 27576 1 294 . 1 1 104 104 ARG CA C 13 54.350 . . . . . . . . 104 ARG CA . 27576 1 295 . 1 1 104 104 ARG N N 15 106.823 . . . . . . . . 104 ARG N . 27576 1 296 . 1 1 105 105 TYR H H 1 8.724 . . . . . . . . 105 TYR H . 27576 1 297 . 1 1 105 105 TYR CA C 13 56.779 . . . . . . . . 105 TYR CA . 27576 1 298 . 1 1 105 105 TYR N N 15 122.143 . . . . . . . . 105 TYR N . 27576 1 299 . 1 1 106 106 THR H H 1 8.776 . . . . . . . . 106 THR H . 27576 1 300 . 1 1 106 106 THR CA C 13 61.718 . . . . . . . . 106 THR CA . 27576 1 301 . 1 1 106 106 THR N N 15 120.747 . . . . . . . . 106 THR N . 27576 1 302 . 1 1 107 107 ILE H H 1 8.76 . . . . . . . . 107 ILE H . 27576 1 303 . 1 1 107 107 ILE CA C 13 58.251 . . . . . . . . 107 ILE CA . 27576 1 304 . 1 1 107 107 ILE N N 15 127.567 . . . . . . . . 107 ILE N . 27576 1 305 . 1 1 108 108 ALA H H 1 8.775 . . . . . . . . 108 ALA H . 27576 1 306 . 1 1 108 108 ALA CA C 13 49.023 . . . . . . . . 108 ALA CA . 27576 1 307 . 1 1 108 108 ALA N N 15 129.012 . . . . . . . . 108 ALA N . 27576 1 308 . 1 1 109 109 ALA H H 1 9.024 . . . . . . . . 109 ALA H . 27576 1 309 . 1 1 109 109 ALA CA C 13 50.122 . . . . . . . . 109 ALA CA . 27576 1 310 . 1 1 109 109 ALA N N 15 126.368 . . . . . . . . 109 ALA N . 27576 1 311 . 1 1 110 110 LEU H H 1 8.734 . . . . . . . . 110 LEU H . 27576 1 312 . 1 1 110 110 LEU CA C 13 53.735 . . . . . . . . 110 LEU CA . 27576 1 313 . 1 1 110 110 LEU N N 15 126.153 . . . . . . . . 110 LEU N . 27576 1 314 . 1 1 111 111 LEU H H 1 9.018 . . . . . . . . 111 LEU H . 27576 1 315 . 1 1 111 111 LEU CA C 13 55.366 . . . . . . . . 111 LEU CA . 27576 1 316 . 1 1 111 111 LEU N N 15 124.254 . . . . . . . . 111 LEU N . 27576 1 317 . 1 1 112 112 SER H H 1 8.982 . . . . . . . . 112 SER H . 27576 1 318 . 1 1 112 112 SER CA C 13 57.896 . . . . . . . . 112 SER CA . 27576 1 319 . 1 1 112 112 SER N N 15 117.125 . . . . . . . . 112 SER N . 27576 1 320 . 1 1 113 113 PRO CA C 13 66.641 . . . . . . . . 113 PRO CA . 27576 1 321 . 1 1 114 114 TYR H H 1 8.066 . . . . . . . . 114 TYR H . 27576 1 322 . 1 1 114 114 TYR CA C 13 58.113 . . . . . . . . 114 TYR CA . 27576 1 323 . 1 1 114 114 TYR N N 15 114.403 . . . . . . . . 114 TYR N . 27576 1 324 . 1 1 115 115 SER H H 1 7.408 . . . . . . . . 115 SER H . 27576 1 325 . 1 1 115 115 SER CA C 13 57.182 . . . . . . . . 115 SER CA . 27576 1 326 . 1 1 115 115 SER N N 15 112.691 . . . . . . . . 115 SER N . 27576 1 327 . 1 1 116 116 TYR H H 1 8.368 . . . . . . . . 116 TYR H . 27576 1 328 . 1 1 116 116 TYR CA C 13 56.847 . . . . . . . . 116 TYR CA . 27576 1 329 . 1 1 116 116 TYR N N 15 120.714 . . . . . . . . 116 TYR N . 27576 1 330 . 1 1 117 117 SER H H 1 8.399 . . . . . . . . 117 SER H . 27576 1 331 . 1 1 117 117 SER CA C 13 55.002 . . . . . . . . 117 SER CA . 27576 1 332 . 1 1 117 117 SER N N 15 114.138 . . . . . . . . 117 SER N . 27576 1 333 . 1 1 118 118 THR H H 1 8.83 . . . . . . . . 118 THR H . 27576 1 334 . 1 1 118 118 THR CA C 13 58.612 . . . . . . . . 118 THR CA . 27576 1 335 . 1 1 118 118 THR N N 15 116.557 . . . . . . . . 118 THR N . 27576 1 336 . 1 1 119 119 THR H H 1 8.33 . . . . . . . . 119 THR H . 27576 1 337 . 1 1 119 119 THR CA C 13 61.114 . . . . . . . . 119 THR CA . 27576 1 338 . 1 1 119 119 THR N N 15 122.753 . . . . . . . . 119 THR N . 27576 1 339 . 1 1 120 120 ALA H H 1 8.426 . . . . . . . . 120 ALA H . 27576 1 340 . 1 1 120 120 ALA CA C 13 49.57 . . . . . . . . 120 ALA CA . 27576 1 341 . 1 1 120 120 ALA N N 15 129.843 . . . . . . . . 120 ALA N . 27576 1 342 . 1 1 121 121 VAL H H 1 8.263 . . . . . . . . 121 VAL H . 27576 1 343 . 1 1 121 121 VAL CA C 13 60.014 . . . . . . . . 121 VAL CA . 27576 1 344 . 1 1 121 121 VAL N N 15 119.693 . . . . . . . . 121 VAL N . 27576 1 345 . 1 1 122 122 VAL H H 1 8.409 . . . . . . . . 122 VAL H . 27576 1 346 . 1 1 122 122 VAL CA C 13 60.733 . . . . . . . . 122 VAL CA . 27576 1 347 . 1 1 122 122 VAL N N 15 128.746 . . . . . . . . 122 VAL N . 27576 1 348 . 1 1 123 123 THR H H 1 8.448 . . . . . . . . 123 THR H . 27576 1 349 . 1 1 123 123 THR CA C 13 60.056 . . . . . . . . 123 THR CA . 27576 1 350 . 1 1 123 123 THR N N 15 118.321 . . . . . . . . 123 THR N . 27576 1 351 . 1 1 124 124 ASN H H 1 8.493 . . . . . . . . 124 ASN H . 27576 1 352 . 1 1 124 124 ASN CA C 13 50.459 . . . . . . . . 124 ASN CA . 27576 1 353 . 1 1 124 124 ASN N N 15 120.478 . . . . . . . . 124 ASN N . 27576 1 354 . 1 1 125 125 PRO CA C 13 62.96 . . . . . . . . 125 PRO CA . 27576 1 355 . 1 1 126 126 LYS H H 1 8.109 . . . . . . . . 126 LYS H . 27576 1 356 . 1 1 126 126 LYS CA C 13 55.985 . . . . . . . . 126 LYS CA . 27576 1 357 . 1 1 126 126 LYS N N 15 121.345 . . . . . . . . 126 LYS N . 27576 1 358 . 1 1 127 127 GLU H H 1 7.663 . . . . . . . . 127 GLU H . 27576 1 359 . 1 1 127 127 GLU CA C 13 57.592 . . . . . . . . 127 GLU CA . 27576 1 360 . 1 1 127 127 GLU N N 15 126.785 . . . . . . . . 127 GLU N . 27576 1 stop_ save_