data_30514 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30514 _Entry.Title ; Human Obscurin Ig57 Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-09-13 _Entry.Accession_date 2018-09-13 _Entry.Last_release_date 2019-01-09 _Entry.Original_release_date 2019-01-09 _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 . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30514 stop_ 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 N. Wright N. T. . . 30514 2 J. Whitley J. A. . . 30514 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'ig domain' . 30514 obscurin . 30514 wlc . 30514 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30514 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 315 30514 '1H chemical shifts' 534 30514 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2019-02-01 . original BMRB . 30514 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6MG9 . 30514 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30514 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.2174/0929866525666181004102031 _Citation.PubMed_ID 30289063 _Citation.Full_citation . _Citation.Title ; Structural Insights on the Obscurin-Binding Domains in Titin. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Pept. Lett.' _Citation.Journal_name_full 'Protein and peptide letters' _Citation.Journal_volume 25 _Citation.Journal_issue 11 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1875-5305 _Citation.Journal_CSD 0353 _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 973 _Citation.Page_last 979 _Citation.Year 2018 _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 Allyn Letourneau A. G. . . 30514 1 2 Nathan Wright N. T. . . 30514 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30514 _Assembly.ID 1 _Assembly.Name 'Obscurin (E.C.2.7.11.1)' _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 entity_1 1 $entity_1 A A yes . . . . . . 30514 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30514 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAPEVTILEPLQDVQLSEGQ DASFQCRLSRASGQEARWAL GGVPLQANEMNDITVEQGTL HLLTLHKVTLEDAGTVSFHV GTCSSEAQLKVTAGLEHHHH HH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 2.7.11.1 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11098.264 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Obscurin-MLCK na 30514 1 Obscurin-RhoGEF na 30514 1 'Obscurin-myosin light chain kinase' na 30514 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 30514 1 2 . ALA . 30514 1 3 . PRO . 30514 1 4 . GLU . 30514 1 5 . VAL . 30514 1 6 . THR . 30514 1 7 . ILE . 30514 1 8 . LEU . 30514 1 9 . GLU . 30514 1 10 . PRO . 30514 1 11 . LEU . 30514 1 12 . GLN . 30514 1 13 . ASP . 30514 1 14 . VAL . 30514 1 15 . GLN . 30514 1 16 . LEU . 30514 1 17 . SER . 30514 1 18 . GLU . 30514 1 19 . GLY . 30514 1 20 . GLN . 30514 1 21 . ASP . 30514 1 22 . ALA . 30514 1 23 . SER . 30514 1 24 . PHE . 30514 1 25 . GLN . 30514 1 26 . CYS . 30514 1 27 . ARG . 30514 1 28 . LEU . 30514 1 29 . SER . 30514 1 30 . ARG . 30514 1 31 . ALA . 30514 1 32 . SER . 30514 1 33 . GLY . 30514 1 34 . GLN . 30514 1 35 . GLU . 30514 1 36 . ALA . 30514 1 37 . ARG . 30514 1 38 . TRP . 30514 1 39 . ALA . 30514 1 40 . LEU . 30514 1 41 . GLY . 30514 1 42 . GLY . 30514 1 43 . VAL . 30514 1 44 . PRO . 30514 1 45 . LEU . 30514 1 46 . GLN . 30514 1 47 . ALA . 30514 1 48 . ASN . 30514 1 49 . GLU . 30514 1 50 . MET . 30514 1 51 . ASN . 30514 1 52 . ASP . 30514 1 53 . ILE . 30514 1 54 . THR . 30514 1 55 . VAL . 30514 1 56 . GLU . 30514 1 57 . GLN . 30514 1 58 . GLY . 30514 1 59 . THR . 30514 1 60 . LEU . 30514 1 61 . HIS . 30514 1 62 . LEU . 30514 1 63 . LEU . 30514 1 64 . THR . 30514 1 65 . LEU . 30514 1 66 . HIS . 30514 1 67 . LYS . 30514 1 68 . VAL . 30514 1 69 . THR . 30514 1 70 . LEU . 30514 1 71 . GLU . 30514 1 72 . ASP . 30514 1 73 . ALA . 30514 1 74 . GLY . 30514 1 75 . THR . 30514 1 76 . VAL . 30514 1 77 . SER . 30514 1 78 . PHE . 30514 1 79 . HIS . 30514 1 80 . VAL . 30514 1 81 . GLY . 30514 1 82 . THR . 30514 1 83 . CYS . 30514 1 84 . SER . 30514 1 85 . SER . 30514 1 86 . GLU . 30514 1 87 . ALA . 30514 1 88 . GLN . 30514 1 89 . LEU . 30514 1 90 . LYS . 30514 1 91 . VAL . 30514 1 92 . THR . 30514 1 93 . ALA . 30514 1 94 . GLY . 30514 1 95 . LEU . 30514 1 96 . GLU . 30514 1 97 . HIS . 30514 1 98 . HIS . 30514 1 99 . HIS . 30514 1 100 . HIS . 30514 1 101 . HIS . 30514 1 102 . HIS . 30514 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 30514 1 . ALA 2 2 30514 1 . PRO 3 3 30514 1 . GLU 4 4 30514 1 . VAL 5 5 30514 1 . THR 6 6 30514 1 . ILE 7 7 30514 1 . LEU 8 8 30514 1 . GLU 9 9 30514 1 . PRO 10 10 30514 1 . LEU 11 11 30514 1 . GLN 12 12 30514 1 . ASP 13 13 30514 1 . VAL 14 14 30514 1 . GLN 15 15 30514 1 . LEU 16 16 30514 1 . SER 17 17 30514 1 . GLU 18 18 30514 1 . GLY 19 19 30514 1 . GLN 20 20 30514 1 . ASP 21 21 30514 1 . ALA 22 22 30514 1 . SER 23 23 30514 1 . PHE 24 24 30514 1 . GLN 25 25 30514 1 . CYS 26 26 30514 1 . ARG 27 27 30514 1 . LEU 28 28 30514 1 . SER 29 29 30514 1 . ARG 30 30 30514 1 . ALA 31 31 30514 1 . SER 32 32 30514 1 . GLY 33 33 30514 1 . GLN 34 34 30514 1 . GLU 35 35 30514 1 . ALA 36 36 30514 1 . ARG 37 37 30514 1 . TRP 38 38 30514 1 . ALA 39 39 30514 1 . LEU 40 40 30514 1 . GLY 41 41 30514 1 . GLY 42 42 30514 1 . VAL 43 43 30514 1 . PRO 44 44 30514 1 . LEU 45 45 30514 1 . GLN 46 46 30514 1 . ALA 47 47 30514 1 . ASN 48 48 30514 1 . GLU 49 49 30514 1 . MET 50 50 30514 1 . ASN 51 51 30514 1 . ASP 52 52 30514 1 . ILE 53 53 30514 1 . THR 54 54 30514 1 . VAL 55 55 30514 1 . GLU 56 56 30514 1 . GLN 57 57 30514 1 . GLY 58 58 30514 1 . THR 59 59 30514 1 . LEU 60 60 30514 1 . HIS 61 61 30514 1 . LEU 62 62 30514 1 . LEU 63 63 30514 1 . THR 64 64 30514 1 . LEU 65 65 30514 1 . HIS 66 66 30514 1 . LYS 67 67 30514 1 . VAL 68 68 30514 1 . THR 69 69 30514 1 . LEU 70 70 30514 1 . GLU 71 71 30514 1 . ASP 72 72 30514 1 . ALA 73 73 30514 1 . GLY 74 74 30514 1 . THR 75 75 30514 1 . VAL 76 76 30514 1 . SER 77 77 30514 1 . PHE 78 78 30514 1 . HIS 79 79 30514 1 . VAL 80 80 30514 1 . GLY 81 81 30514 1 . THR 82 82 30514 1 . CYS 83 83 30514 1 . SER 84 84 30514 1 . SER 85 85 30514 1 . GLU 86 86 30514 1 . ALA 87 87 30514 1 . GLN 88 88 30514 1 . LEU 89 89 30514 1 . LYS 90 90 30514 1 . VAL 91 91 30514 1 . THR 92 92 30514 1 . ALA 93 93 30514 1 . GLY 94 94 30514 1 . LEU 95 95 30514 1 . GLU 96 96 30514 1 . HIS 97 97 30514 1 . HIS 98 98 30514 1 . HIS 99 99 30514 1 . HIS 100 100 30514 1 . HIS 101 101 30514 1 . HIS 102 102 30514 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 30514 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'OBSCN, KIAA1556, KIAA1639' . 30514 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 30514 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21' . . 511693 . . BL21 . . . . . . . . . 30514 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30514 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM TRIS, 1 mM DTT, 50 mM sodium chloride, 90% H2O/10% D2O' _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 entity_1 . . . 1 $entity_1 . . . . . mM . . . . 30514 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 30514 1 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 30514 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 30514 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30514 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM TRIS, 1 mM DTT, 50 mM sodium chloride, 90% H2O/10% D2O' _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 entity_1 . . . 1 $entity_1 . . . . . mM . . . . 30514 2 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 30514 2 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 30514 2 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 30514 2 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 30514 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 30514 1 pH 7.2 . pH 30514 1 pressure 1 . atm 30514 1 temperature 283 . K 30514 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30514 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30514 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30514 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30514 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30514 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 30514 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30514 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30514 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30514 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30514 _Software.ID 4 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30514 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30514 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30514 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 30514 _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 NMR_spectrometer_1 Bruker Avance . 600 . . . 30514 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 30514 _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 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30514 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30514 1 3 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30514 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30514 1 5 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30514 1 6 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30514 1 7 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30514 1 8 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30514 1 9 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30514 1 10 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30514 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30514 _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 0.000 internal indirect 0.25144953 . . . . . 30514 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30514 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30514 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30514 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30514 1 2 '3D 1H-15N NOESY' . . . 30514 1 3 '3D 1H-13C NOESY' . . . 30514 1 4 '3D CBCA(CO)NH' . . . 30514 1 5 '3D C(CO)NH' . . . 30514 1 6 '3D H(CCO)NH' . . . 30514 1 7 '3D HNCACB' . . . 30514 1 8 '3D HN(CO)CA' . . . 30514 1 9 '3D HNCO' . . . 30514 1 10 '3D 1H-15N TOCSY' . . . 30514 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 4 4 GLU H H 1 8.65 0.01 . 1 . . . . A 4 GLU H . 30514 1 2 . 1 1 4 4 GLU HA H 1 4.4 0.01 . 1 . . . . A 4 GLU HA . 30514 1 3 . 1 1 4 4 GLU HB2 H 1 2.1 0.01 . 2 . . . . A 4 GLU HB2 . 30514 1 4 . 1 1 4 4 GLU HB3 H 1 2.1 0.01 . 2 . . . . A 4 GLU HB3 . 30514 1 5 . 1 1 4 4 GLU HG2 H 1 2.4 0.01 . 2 . . . . A 4 GLU HG2 . 30514 1 6 . 1 1 4 4 GLU HG3 H 1 2.4 0.01 . 2 . . . . A 4 GLU HG3 . 30514 1 7 . 1 1 4 4 GLU C C 13 176.1 0.1 . 1 . . . . A 4 GLU C . 30514 1 8 . 1 1 4 4 GLU CA C 13 55.6 0.1 . 1 . . . . A 4 GLU CA . 30514 1 9 . 1 1 4 4 GLU CB C 13 29.4 0.1 . 1 . . . . A 4 GLU CB . 30514 1 10 . 1 1 4 4 GLU CG C 13 36.4 0.1 . 1 . . . . A 4 GLU CG . 30514 1 11 . 1 1 5 5 VAL H H 1 8.50 0.01 . 1 . . . . A 5 VAL H . 30514 1 12 . 1 1 5 5 VAL HA H 1 4.2 0.01 . 1 . . . . A 5 VAL HA . 30514 1 13 . 1 1 5 5 VAL HB H 1 2.07 0.01 . 1 . . . . A 5 VAL HB . 30514 1 14 . 1 1 5 5 VAL HG11 H 1 0.97 0.01 . 2 . . . . A 5 VAL HG11 . 30514 1 15 . 1 1 5 5 VAL HG12 H 1 0.97 0.01 . 2 . . . . A 5 VAL HG12 . 30514 1 16 . 1 1 5 5 VAL HG13 H 1 0.97 0.01 . 2 . . . . A 5 VAL HG13 . 30514 1 17 . 1 1 5 5 VAL HG21 H 1 0.97 0.01 . 2 . . . . A 5 VAL HG21 . 30514 1 18 . 1 1 5 5 VAL HG22 H 1 0.97 0.01 . 2 . . . . A 5 VAL HG22 . 30514 1 19 . 1 1 5 5 VAL HG23 H 1 0.97 0.01 . 2 . . . . A 5 VAL HG23 . 30514 1 20 . 1 1 5 5 VAL C C 13 176.3 0.1 . 1 . . . . A 5 VAL C . 30514 1 21 . 1 1 5 5 VAL CA C 13 62.5 0.1 . 1 . . . . A 5 VAL CA . 30514 1 22 . 1 1 5 5 VAL CB C 13 32.9 0.1 . 1 . . . . A 5 VAL CB . 30514 1 23 . 1 1 5 5 VAL CG1 C 13 21.2 0.1 . 2 . . . . A 5 VAL CG1 . 30514 1 24 . 1 1 5 5 VAL CG2 C 13 21.2 0.1 . 2 . . . . A 5 VAL CG2 . 30514 1 25 . 1 1 6 6 THR H H 1 8.44 0.01 . 1 . . . . A 6 THR H . 30514 1 26 . 1 1 6 6 THR HA H 1 4.33 0.01 . 1 . . . . A 6 THR HA . 30514 1 27 . 1 1 6 6 THR HB H 1 4.58 0.01 . 1 . . . . A 6 THR HB . 30514 1 28 . 1 1 6 6 THR HG21 H 1 1.35 0.01 . 1 . . . . A 6 THR HG21 . 30514 1 29 . 1 1 6 6 THR HG22 H 1 1.35 0.01 . 1 . . . . A 6 THR HG22 . 30514 1 30 . 1 1 6 6 THR HG23 H 1 1.35 0.01 . 1 . . . . A 6 THR HG23 . 30514 1 31 . 1 1 6 6 THR C C 13 174.1 0.1 . 1 . . . . A 6 THR C . 30514 1 32 . 1 1 6 6 THR CA C 13 62.4 0.1 . 1 . . . . A 6 THR CA . 30514 1 33 . 1 1 6 6 THR CB C 13 70.0 0.1 . 1 . . . . A 6 THR CB . 30514 1 34 . 1 1 6 6 THR CG2 C 13 21.9 0.1 . 1 . . . . A 6 THR CG2 . 30514 1 35 . 1 1 7 7 ILE H H 1 8.42 0.01 . 1 . . . . A 7 ILE H . 30514 1 36 . 1 1 7 7 ILE HA H 1 4.16 0.01 . 1 . . . . A 7 ILE HA . 30514 1 37 . 1 1 7 7 ILE HB H 1 1.86 0.01 . 1 . . . . A 7 ILE HB . 30514 1 38 . 1 1 7 7 ILE HG12 H 1 1.2 0.01 . 2 . . . . A 7 ILE HG12 . 30514 1 39 . 1 1 7 7 ILE HG13 H 1 1.2 0.01 . 2 . . . . A 7 ILE HG13 . 30514 1 40 . 1 1 7 7 ILE HG21 H 1 0.90 0.01 . 1 . . . . A 7 ILE HG21 . 30514 1 41 . 1 1 7 7 ILE HG22 H 1 0.90 0.01 . 1 . . . . A 7 ILE HG22 . 30514 1 42 . 1 1 7 7 ILE HG23 H 1 0.90 0.01 . 1 . . . . A 7 ILE HG23 . 30514 1 43 . 1 1 7 7 ILE HD11 H 1 0.89 0.01 . 1 . . . . A 7 ILE HD11 . 30514 1 44 . 1 1 7 7 ILE HD12 H 1 0.89 0.01 . 1 . . . . A 7 ILE HD12 . 30514 1 45 . 1 1 7 7 ILE HD13 H 1 0.89 0.01 . 1 . . . . A 7 ILE HD13 . 30514 1 46 . 1 1 7 7 ILE C C 13 175.9 0.1 . 1 . . . . A 7 ILE C . 30514 1 47 . 1 1 7 7 ILE CA C 13 60.9 0.1 . 1 . . . . A 7 ILE CA . 30514 1 48 . 1 1 7 7 ILE CB C 13 38.6 0.1 . 1 . . . . A 7 ILE CB . 30514 1 49 . 1 1 7 7 ILE CG1 C 13 27.5 0.1 . 1 . . . . A 7 ILE CG1 . 30514 1 50 . 1 1 7 7 ILE CG2 C 13 17.7 0.1 . 1 . . . . A 7 ILE CG2 . 30514 1 51 . 1 1 7 7 ILE CD1 C 13 12.9 0.1 . 1 . . . . A 7 ILE CD1 . 30514 1 52 . 1 1 8 8 LEU H H 1 8.44 0.01 . 1 . . . . A 8 LEU H . 30514 1 53 . 1 1 8 8 LEU HA H 1 4.39 0.01 . 1 . . . . A 8 LEU HA . 30514 1 54 . 1 1 8 8 LEU HB2 H 1 1.65 0.01 . 2 . . . . A 8 LEU HB2 . 30514 1 55 . 1 1 8 8 LEU HB3 H 1 1.65 0.01 . 2 . . . . A 8 LEU HB3 . 30514 1 56 . 1 1 8 8 LEU HG H 1 1.4 0.01 . 1 . . . . A 8 LEU HG . 30514 1 57 . 1 1 8 8 LEU C C 13 176.9 0.1 . 1 . . . . A 8 LEU C . 30514 1 58 . 1 1 8 8 LEU CA C 13 54.9 0.1 . 1 . . . . A 8 LEU CA . 30514 1 59 . 1 1 8 8 LEU CB C 13 42.4 0.1 . 1 . . . . A 8 LEU CB . 30514 1 60 . 1 1 9 9 GLU H H 1 7.91 0.01 . 1 . . . . A 9 GLU H . 30514 1 61 . 1 1 9 9 GLU HA H 1 4.38 0.01 . 1 . . . . A 9 GLU HA . 30514 1 62 . 1 1 9 9 GLU HB2 H 1 1.86 0.01 . 2 . . . . A 9 GLU HB2 . 30514 1 63 . 1 1 9 9 GLU HB3 H 1 1.86 0.01 . 2 . . . . A 9 GLU HB3 . 30514 1 64 . 1 1 9 9 GLU HG2 H 1 2.19 0.01 . 2 . . . . A 9 GLU HG2 . 30514 1 65 . 1 1 9 9 GLU HG3 H 1 2.19 0.01 . 2 . . . . A 9 GLU HG3 . 30514 1 66 . 1 1 10 10 PRO HA H 1 4.3 0.01 . 1 . . . . A 10 PRO HA . 30514 1 67 . 1 1 10 10 PRO HB2 H 1 2.1 0.01 . 2 . . . . A 10 PRO HB2 . 30514 1 68 . 1 1 10 10 PRO HB3 H 1 2.1 0.01 . 2 . . . . A 10 PRO HB3 . 30514 1 69 . 1 1 10 10 PRO CA C 13 63.3 0.1 . 1 . . . . A 10 PRO CA . 30514 1 70 . 1 1 10 10 PRO CB C 13 31.8 0.1 . 1 . . . . A 10 PRO CB . 30514 1 71 . 1 1 10 10 PRO CG C 13 27.9 0.1 . 1 . . . . A 10 PRO CG . 30514 1 72 . 1 1 11 11 LEU H H 1 8.39 0.01 . 1 . . . . A 11 LEU H . 30514 1 73 . 1 1 11 11 LEU HD11 H 1 .76 0.01 . 2 . . . . A 11 LEU HD11 . 30514 1 74 . 1 1 11 11 LEU HD12 H 1 .76 0.01 . 2 . . . . A 11 LEU HD12 . 30514 1 75 . 1 1 11 11 LEU HD13 H 1 .76 0.01 . 2 . . . . A 11 LEU HD13 . 30514 1 76 . 1 1 11 11 LEU HD21 H 1 1.0 0.01 . 2 . . . . A 11 LEU HD21 . 30514 1 77 . 1 1 11 11 LEU HD22 H 1 1.0 0.01 . 2 . . . . A 11 LEU HD22 . 30514 1 78 . 1 1 11 11 LEU HD23 H 1 1.0 0.01 . 2 . . . . A 11 LEU HD23 . 30514 1 79 . 1 1 11 11 LEU C C 13 174.7 0.1 . 1 . . . . A 11 LEU C . 30514 1 80 . 1 1 11 11 LEU CA C 13 53.4 0.1 . 1 . . . . A 11 LEU CA . 30514 1 81 . 1 1 11 11 LEU CB C 13 39.1 0.1 . 1 . . . . A 11 LEU CB . 30514 1 82 . 1 1 11 11 LEU CD1 C 13 25.1 0.1 . 2 . . . . A 11 LEU CD1 . 30514 1 83 . 1 1 11 11 LEU CD2 C 13 25.1 0.1 . 2 . . . . A 11 LEU CD2 . 30514 1 84 . 1 1 12 12 GLN HB2 H 1 2.12 0.01 . 2 . . . . A 12 GLN HB2 . 30514 1 85 . 1 1 12 12 GLN HB3 H 1 2.12 0.01 . 2 . . . . A 12 GLN HB3 . 30514 1 86 . 1 1 13 13 ASP HA H 1 4.98 0.01 . 1 . . . . A 13 ASP HA . 30514 1 87 . 1 1 13 13 ASP HB2 H 1 2.63 0.01 . 2 . . . . A 13 ASP HB2 . 30514 1 88 . 1 1 13 13 ASP HB3 H 1 2.86 0.01 . 2 . . . . A 13 ASP HB3 . 30514 1 89 . 1 1 13 13 ASP CA C 13 55.2 0.1 . 1 . . . . A 13 ASP CA . 30514 1 90 . 1 1 13 13 ASP CB C 13 41.8 0.1 . 1 . . . . A 13 ASP CB . 30514 1 91 . 1 1 14 14 VAL H H 1 8.75 0.01 . 1 . . . . A 14 VAL H . 30514 1 92 . 1 1 14 14 VAL HA H 1 4.27 0.01 . 1 . . . . A 14 VAL HA . 30514 1 93 . 1 1 14 14 VAL HB H 1 1.76 0.01 . 1 . . . . A 14 VAL HB . 30514 1 94 . 1 1 14 14 VAL HG11 H 1 0.84 0.01 . 2 . . . . A 14 VAL HG11 . 30514 1 95 . 1 1 14 14 VAL HG12 H 1 0.84 0.01 . 2 . . . . A 14 VAL HG12 . 30514 1 96 . 1 1 14 14 VAL HG13 H 1 0.84 0.01 . 2 . . . . A 14 VAL HG13 . 30514 1 97 . 1 1 14 14 VAL HG21 H 1 0.44 0.01 . 2 . . . . A 14 VAL HG21 . 30514 1 98 . 1 1 14 14 VAL HG22 H 1 0.44 0.01 . 2 . . . . A 14 VAL HG22 . 30514 1 99 . 1 1 14 14 VAL HG23 H 1 0.44 0.01 . 2 . . . . A 14 VAL HG23 . 30514 1 100 . 1 1 14 14 VAL C C 13 173.7 0.1 . 1 . . . . A 14 VAL C . 30514 1 101 . 1 1 14 14 VAL CA C 13 62.1 0.1 . 1 . . . . A 14 VAL CA . 30514 1 102 . 1 1 14 14 VAL CB C 13 36.1 0.1 . 1 . . . . A 14 VAL CB . 30514 1 103 . 1 1 14 14 VAL CG1 C 13 22.5 0.1 . 2 . . . . A 14 VAL CG1 . 30514 1 104 . 1 1 14 14 VAL CG2 C 13 21.3 0.1 . 2 . . . . A 14 VAL CG2 . 30514 1 105 . 1 1 15 15 GLN H H 1 8.52 0.01 . 1 . . . . A 15 GLN H . 30514 1 106 . 1 1 15 15 GLN HA H 1 5.6 0.01 . 1 . . . . A 15 GLN HA . 30514 1 107 . 1 1 15 15 GLN HB2 H 1 1.95 0.01 . 2 . . . . A 15 GLN HB2 . 30514 1 108 . 1 1 15 15 GLN HB3 H 1 1.95 0.01 . 2 . . . . A 15 GLN HB3 . 30514 1 109 . 1 1 15 15 GLN HG2 H 1 2.18 0.01 . 2 . . . . A 15 GLN HG2 . 30514 1 110 . 1 1 15 15 GLN HG3 H 1 2.18 0.01 . 2 . . . . A 15 GLN HG3 . 30514 1 111 . 1 1 15 15 GLN C C 13 173.9 0.1 . 1 . . . . A 15 GLN C . 30514 1 112 . 1 1 15 15 GLN CA C 13 54.0 0.1 . 1 . . . . A 15 GLN CA . 30514 1 113 . 1 1 15 15 GLN CB C 13 30.7 0.1 . 1 . . . . A 15 GLN CB . 30514 1 114 . 1 1 15 15 GLN CG C 13 34.4 0.1 . 1 . . . . A 15 GLN CG . 30514 1 115 . 1 1 16 16 LEU H H 1 8.76 0.01 . 1 . . . . A 16 LEU H . 30514 1 116 . 1 1 16 16 LEU HA H 1 4.82 0.01 . 1 . . . . A 16 LEU HA . 30514 1 117 . 1 1 16 16 LEU HB2 H 1 1.7 0.01 . 2 . . . . A 16 LEU HB2 . 30514 1 118 . 1 1 16 16 LEU HB3 H 1 2.0 0.01 . 2 . . . . A 16 LEU HB3 . 30514 1 119 . 1 1 16 16 LEU HD11 H 1 0.83 0.01 . 2 . . . . A 16 LEU HD11 . 30514 1 120 . 1 1 16 16 LEU HD12 H 1 0.83 0.01 . 2 . . . . A 16 LEU HD12 . 30514 1 121 . 1 1 16 16 LEU HD13 H 1 0.83 0.01 . 2 . . . . A 16 LEU HD13 . 30514 1 122 . 1 1 16 16 LEU HD21 H 1 0.64 0.01 . 2 . . . . A 16 LEU HD21 . 30514 1 123 . 1 1 16 16 LEU HD22 H 1 0.64 0.01 . 2 . . . . A 16 LEU HD22 . 30514 1 124 . 1 1 16 16 LEU HD23 H 1 0.64 0.01 . 2 . . . . A 16 LEU HD23 . 30514 1 125 . 1 1 16 16 LEU C C 13 174.2 0.1 . 1 . . . . A 16 LEU C . 30514 1 126 . 1 1 16 16 LEU CA C 13 54.4 0.1 . 1 . . . . A 16 LEU CA . 30514 1 127 . 1 1 16 16 LEU CB C 13 43.0 0.1 . 1 . . . . A 16 LEU CB . 30514 1 128 . 1 1 16 16 LEU CG C 13 26.3 0.1 . 1 . . . . A 16 LEU CG . 30514 1 129 . 1 1 16 16 LEU CD1 C 13 19.7 0.1 . 2 . . . . A 16 LEU CD1 . 30514 1 130 . 1 1 16 16 LEU CD2 C 13 19.7 0.1 . 2 . . . . A 16 LEU CD2 . 30514 1 131 . 1 1 17 17 SER H H 1 8.10 0.01 . 1 . . . . A 17 SER H . 30514 1 132 . 1 1 17 17 SER HA H 1 5.03 0.01 . 1 . . . . A 17 SER HA . 30514 1 133 . 1 1 17 17 SER HB2 H 1 3.8 0.01 . 2 . . . . A 17 SER HB2 . 30514 1 134 . 1 1 17 17 SER HB3 H 1 3.8 0.01 . 2 . . . . A 17 SER HB3 . 30514 1 135 . 1 1 17 17 SER C C 13 173.8 0.1 . 1 . . . . A 17 SER C . 30514 1 136 . 1 1 17 17 SER CA C 13 57.3 0.1 . 1 . . . . A 17 SER CA . 30514 1 137 . 1 1 17 17 SER CB C 13 65.1 0.1 . 1 . . . . A 17 SER CB . 30514 1 138 . 1 1 18 18 GLU H H 1 8.04 0.01 . 1 . . . . A 18 GLU H . 30514 1 139 . 1 1 18 18 GLU HA H 1 3.82 0.01 . 1 . . . . A 18 GLU HA . 30514 1 140 . 1 1 18 18 GLU HB2 H 1 1.99 0.01 . 2 . . . . A 18 GLU HB2 . 30514 1 141 . 1 1 18 18 GLU HB3 H 1 1.99 0.01 . 2 . . . . A 18 GLU HB3 . 30514 1 142 . 1 1 18 18 GLU HG2 H 1 2.27 0.01 . 2 . . . . A 18 GLU HG2 . 30514 1 143 . 1 1 18 18 GLU HG3 H 1 2.27 0.01 . 2 . . . . A 18 GLU HG3 . 30514 1 144 . 1 1 18 18 GLU C C 13 176.8 0.1 . 1 . . . . A 18 GLU C . 30514 1 145 . 1 1 18 18 GLU CA C 13 58.1 0.1 . 1 . . . . A 18 GLU CA . 30514 1 146 . 1 1 18 18 GLU CB C 13 30.9 0.1 . 1 . . . . A 18 GLU CB . 30514 1 147 . 1 1 18 18 GLU CG C 13 37.4 0.1 . 1 . . . . A 18 GLU CG . 30514 1 148 . 1 1 19 19 GLY H H 1 9.61 0.01 . 1 . . . . A 19 GLY H . 30514 1 149 . 1 1 19 19 GLY HA2 H 1 3.45 0.01 . 2 . . . . A 19 GLY HA2 . 30514 1 150 . 1 1 19 19 GLY HA3 H 1 4.41 0.01 . 2 . . . . A 19 GLY HA3 . 30514 1 151 . 1 1 19 19 GLY C C 13 174.9 0.1 . 1 . . . . A 19 GLY C . 30514 1 152 . 1 1 19 19 GLY CA C 13 45.1 0.1 . 1 . . . . A 19 GLY CA . 30514 1 153 . 1 1 20 20 GLN H H 1 7.58 0.01 . 1 . . . . A 20 GLN H . 30514 1 154 . 1 1 20 20 GLN HA H 1 4.5 0.01 . 1 . . . . A 20 GLN HA . 30514 1 155 . 1 1 20 20 GLN HB2 H 1 2.27 0.01 . 2 . . . . A 20 GLN HB2 . 30514 1 156 . 1 1 20 20 GLN HB3 H 1 2.27 0.01 . 2 . . . . A 20 GLN HB3 . 30514 1 157 . 1 1 20 20 GLN HG2 H 1 2.42 0.01 . 2 . . . . A 20 GLN HG2 . 30514 1 158 . 1 1 20 20 GLN HG3 H 1 2.42 0.01 . 2 . . . . A 20 GLN HG3 . 30514 1 159 . 1 1 20 20 GLN C C 13 173.0 0.1 . 1 . . . . A 20 GLN C . 30514 1 160 . 1 1 20 20 GLN CA C 13 55.6 0.1 . 1 . . . . A 20 GLN CA . 30514 1 161 . 1 1 20 20 GLN CB C 13 30.3 0.1 . 1 . . . . A 20 GLN CB . 30514 1 162 . 1 1 20 20 GLN CG C 13 35.7 0.1 . 1 . . . . A 20 GLN CG . 30514 1 163 . 1 1 21 21 ASP H H 1 8.31 0.01 . 1 . . . . A 21 ASP H . 30514 1 164 . 1 1 21 21 ASP HA H 1 5.41 0.01 . 1 . . . . A 21 ASP HA . 30514 1 165 . 1 1 21 21 ASP HB2 H 1 2.62 0.01 . 2 . . . . A 21 ASP HB2 . 30514 1 166 . 1 1 21 21 ASP HB3 H 1 2.62 0.01 . 2 . . . . A 21 ASP HB3 . 30514 1 167 . 1 1 21 21 ASP C C 13 175.2 0.1 . 1 . . . . A 21 ASP C . 30514 1 168 . 1 1 21 21 ASP CA C 13 52.9 0.1 . 1 . . . . A 21 ASP CA . 30514 1 169 . 1 1 21 21 ASP CB C 13 41.6 0.1 . 1 . . . . A 21 ASP CB . 30514 1 170 . 1 1 22 22 ALA H H 1 8.88 0.01 . 1 . . . . A 22 ALA H . 30514 1 171 . 1 1 22 22 ALA HA H 1 4.64 0.01 . 1 . . . . A 22 ALA HA . 30514 1 172 . 1 1 22 22 ALA HB1 H 1 1.32 0.01 . 1 . . . . A 22 ALA HB1 . 30514 1 173 . 1 1 22 22 ALA HB2 H 1 1.32 0.01 . 1 . . . . A 22 ALA HB2 . 30514 1 174 . 1 1 22 22 ALA HB3 H 1 1.32 0.01 . 1 . . . . A 22 ALA HB3 . 30514 1 175 . 1 1 22 22 ALA C C 13 175.2 0.1 . 1 . . . . A 22 ALA C . 30514 1 176 . 1 1 22 22 ALA CA C 13 50.2 0.1 . 1 . . . . A 22 ALA CA . 30514 1 177 . 1 1 22 22 ALA CB C 13 23.6 0.1 . 1 . . . . A 22 ALA CB . 30514 1 178 . 1 1 23 23 SER H H 1 8.38 0.01 . 1 . . . . A 23 SER H . 30514 1 179 . 1 1 23 23 SER HA H 1 5.53 0.01 . 1 . . . . A 23 SER HA . 30514 1 180 . 1 1 23 23 SER HB2 H 1 3.45 0.01 . 2 . . . . A 23 SER HB2 . 30514 1 181 . 1 1 23 23 SER HB3 H 1 3.87 0.01 . 2 . . . . A 23 SER HB3 . 30514 1 182 . 1 1 23 23 SER C C 13 172.3 0.1 . 1 . . . . A 23 SER C . 30514 1 183 . 1 1 23 23 SER CA C 13 57.8 0.1 . 1 . . . . A 23 SER CA . 30514 1 184 . 1 1 23 23 SER CB C 13 65.0 0.1 . 1 . . . . A 23 SER CB . 30514 1 185 . 1 1 24 24 PHE H H 1 9.43 0.01 . 1 . . . . A 24 PHE H . 30514 1 186 . 1 1 24 24 PHE HA H 1 4.74 0.01 . 1 . . . . A 24 PHE HA . 30514 1 187 . 1 1 24 24 PHE HB2 H 1 2.66 0.01 . 2 . . . . A 24 PHE HB2 . 30514 1 188 . 1 1 24 24 PHE HB3 H 1 2.66 0.01 . 2 . . . . A 24 PHE HB3 . 30514 1 189 . 1 1 24 24 PHE C C 13 174.5 0.1 . 1 . . . . A 24 PHE C . 30514 1 190 . 1 1 24 24 PHE CA C 13 56.9 0.1 . 1 . . . . A 24 PHE CA . 30514 1 191 . 1 1 24 24 PHE CB C 13 44.2 0.1 . 1 . . . . A 24 PHE CB . 30514 1 192 . 1 1 25 25 GLN H H 1 9.09 0.01 . 1 . . . . A 25 GLN H . 30514 1 193 . 1 1 25 25 GLN HA H 1 5.86 0.01 . 1 . . . . A 25 GLN HA . 30514 1 194 . 1 1 25 25 GLN HB2 H 1 2.20 0.01 . 2 . . . . A 25 GLN HB2 . 30514 1 195 . 1 1 25 25 GLN HB3 H 1 2.20 0.01 . 2 . . . . A 25 GLN HB3 . 30514 1 196 . 1 1 25 25 GLN HG2 H 1 2.3 0.01 . 2 . . . . A 25 GLN HG2 . 30514 1 197 . 1 1 25 25 GLN HG3 H 1 2.3 0.01 . 2 . . . . A 25 GLN HG3 . 30514 1 198 . 1 1 25 25 GLN C C 13 173.4 0.1 . 1 . . . . A 25 GLN C . 30514 1 199 . 1 1 25 25 GLN CA C 13 54.7 0.1 . 1 . . . . A 25 GLN CA . 30514 1 200 . 1 1 25 25 GLN CB C 13 32.7 0.1 . 1 . . . . A 25 GLN CB . 30514 1 201 . 1 1 25 25 GLN CG C 13 32.6 0.1 . 1 . . . . A 25 GLN CG . 30514 1 202 . 1 1 26 26 CYS H H 1 9.09 0.01 . 1 . . . . A 26 CYS H . 30514 1 203 . 1 1 26 26 CYS HA H 1 4.78 0.01 . 1 . . . . A 26 CYS HA . 30514 1 204 . 1 1 26 26 CYS HB2 H 1 2.67 0.01 . 2 . . . . A 26 CYS HB2 . 30514 1 205 . 1 1 26 26 CYS HB3 H 1 2.67 0.01 . 2 . . . . A 26 CYS HB3 . 30514 1 206 . 1 1 26 26 CYS C C 13 172.7 0.1 . 1 . . . . A 26 CYS C . 30514 1 207 . 1 1 26 26 CYS CA C 13 57.3 0.1 . 1 . . . . A 26 CYS CA . 30514 1 208 . 1 1 26 26 CYS CB C 13 29.4 0.1 . 1 . . . . A 26 CYS CB . 30514 1 209 . 1 1 27 27 ARG H H 1 8.39 0.01 . 1 . . . . A 27 ARG H . 30514 1 210 . 1 1 27 27 ARG HA H 1 5.55 0.01 . 1 . . . . A 27 ARG HA . 30514 1 211 . 1 1 27 27 ARG HB2 H 1 1.60 0.01 . 2 . . . . A 27 ARG HB2 . 30514 1 212 . 1 1 27 27 ARG HB3 H 1 1.60 0.01 . 2 . . . . A 27 ARG HB3 . 30514 1 213 . 1 1 27 27 ARG HG2 H 1 1.7 0.01 . 2 . . . . A 27 ARG HG2 . 30514 1 214 . 1 1 27 27 ARG HG3 H 1 1.7 0.01 . 2 . . . . A 27 ARG HG3 . 30514 1 215 . 1 1 27 27 ARG C C 13 175.8 0.1 . 1 . . . . A 27 ARG C . 30514 1 216 . 1 1 28 28 LEU HA H 1 5.17 0.01 . 1 . . . . A 28 LEU HA . 30514 1 217 . 1 1 28 28 LEU HB2 H 1 1.91 0.01 . 2 . . . . A 28 LEU HB2 . 30514 1 218 . 1 1 28 28 LEU HB3 H 1 1.91 0.01 . 2 . . . . A 28 LEU HB3 . 30514 1 219 . 1 1 28 28 LEU HD11 H 1 0.84 0.01 . 2 . . . . A 28 LEU HD11 . 30514 1 220 . 1 1 28 28 LEU HD12 H 1 0.84 0.01 . 2 . . . . A 28 LEU HD12 . 30514 1 221 . 1 1 28 28 LEU HD13 H 1 0.84 0.01 . 2 . . . . A 28 LEU HD13 . 30514 1 222 . 1 1 28 28 LEU HD21 H 1 0.84 0.01 . 2 . . . . A 28 LEU HD21 . 30514 1 223 . 1 1 28 28 LEU HD22 H 1 0.84 0.01 . 2 . . . . A 28 LEU HD22 . 30514 1 224 . 1 1 28 28 LEU HD23 H 1 0.84 0.01 . 2 . . . . A 28 LEU HD23 . 30514 1 225 . 1 1 28 28 LEU CA C 13 53.4 0.1 . 1 . . . . A 28 LEU CA . 30514 1 226 . 1 1 28 28 LEU CB C 13 45.0 0.1 . 1 . . . . A 28 LEU CB . 30514 1 227 . 1 1 28 28 LEU CG C 13 27.2 0.1 . 1 . . . . A 28 LEU CG . 30514 1 228 . 1 1 28 28 LEU CD1 C 13 23.7 0.1 . 2 . . . . A 28 LEU CD1 . 30514 1 229 . 1 1 28 28 LEU CD2 C 13 23.7 0.1 . 2 . . . . A 28 LEU CD2 . 30514 1 230 . 1 1 29 29 SER H H 1 9.17 0.01 . 1 . . . . A 29 SER H . 30514 1 231 . 1 1 29 29 SER HA H 1 4.05 0.01 . 1 . . . . A 29 SER HA . 30514 1 232 . 1 1 29 29 SER HB2 H 1 3.86 0.01 . 2 . . . . A 29 SER HB2 . 30514 1 233 . 1 1 29 29 SER HB3 H 1 3.86 0.01 . 2 . . . . A 29 SER HB3 . 30514 1 234 . 1 1 29 29 SER CA C 13 60.5 0.1 . 1 . . . . A 29 SER CA . 30514 1 235 . 1 1 29 29 SER CB C 13 62.8 0.1 . 1 . . . . A 29 SER CB . 30514 1 236 . 1 1 30 30 ARG H H 1 7.50 0.01 . 1 . . . . A 30 ARG H . 30514 1 237 . 1 1 30 30 ARG HA H 1 4.40 0.01 . 1 . . . . A 30 ARG HA . 30514 1 238 . 1 1 30 30 ARG HB2 H 1 2.04 0.01 . 2 . . . . A 30 ARG HB2 . 30514 1 239 . 1 1 30 30 ARG HB3 H 1 2.04 0.01 . 2 . . . . A 30 ARG HB3 . 30514 1 240 . 1 1 30 30 ARG HG2 H 1 1.82 0.01 . 2 . . . . A 30 ARG HG2 . 30514 1 241 . 1 1 30 30 ARG HG3 H 1 1.82 0.01 . 2 . . . . A 30 ARG HG3 . 30514 1 242 . 1 1 30 30 ARG HD2 H 1 3.12 0.01 . 2 . . . . A 30 ARG HD2 . 30514 1 243 . 1 1 30 30 ARG HD3 H 1 3.12 0.01 . 2 . . . . A 30 ARG HD3 . 30514 1 244 . 1 1 30 30 ARG C C 13 172.8 0.1 . 1 . . . . A 30 ARG C . 30514 1 245 . 1 1 30 30 ARG CA C 13 54.9 0.1 . 1 . . . . A 30 ARG CA . 30514 1 246 . 1 1 30 30 ARG CB C 13 31.9 0.1 . 1 . . . . A 30 ARG CB . 30514 1 247 . 1 1 30 30 ARG CG C 13 27.2 0.1 . 1 . . . . A 30 ARG CG . 30514 1 248 . 1 1 30 30 ARG CD C 13 42.3 0.1 . 1 . . . . A 30 ARG CD . 30514 1 249 . 1 1 31 31 ALA H H 1 8.45 0.01 . 1 . . . . A 31 ALA H . 30514 1 250 . 1 1 31 31 ALA HA H 1 4.96 0.01 . 1 . . . . A 31 ALA HA . 30514 1 251 . 1 1 31 31 ALA HB1 H 1 1.5 0.01 . 1 . . . . A 31 ALA HB1 . 30514 1 252 . 1 1 31 31 ALA HB2 H 1 1.5 0.01 . 1 . . . . A 31 ALA HB2 . 30514 1 253 . 1 1 31 31 ALA HB3 H 1 1.5 0.01 . 1 . . . . A 31 ALA HB3 . 30514 1 254 . 1 1 31 31 ALA CB C 13 18.9 0.1 . 1 . . . . A 31 ALA CB . 30514 1 255 . 1 1 32 32 SER H H 1 8.40 0.01 . 1 . . . . A 32 SER H . 30514 1 256 . 1 1 32 32 SER HA H 1 4.30 0.01 . 1 . . . . A 32 SER HA . 30514 1 257 . 1 1 32 32 SER HB2 H 1 3.83 0.01 . 2 . . . . A 32 SER HB2 . 30514 1 258 . 1 1 32 32 SER HB3 H 1 3.83 0.01 . 2 . . . . A 32 SER HB3 . 30514 1 259 . 1 1 32 32 SER C C 13 178.3 0.1 . 1 . . . . A 32 SER C . 30514 1 260 . 1 1 32 32 SER CA C 13 59.1 0.1 . 1 . . . . A 32 SER CA . 30514 1 261 . 1 1 32 32 SER CB C 13 63.9 0.1 . 1 . . . . A 32 SER CB . 30514 1 262 . 1 1 33 33 GLY H H 1 8.53 0.01 . 1 . . . . A 33 GLY H . 30514 1 263 . 1 1 33 33 GLY C C 13 174.4 0.1 . 1 . . . . A 33 GLY C . 30514 1 264 . 1 1 33 33 GLY CA C 13 45.1 0.1 . 1 . . . . A 33 GLY CA . 30514 1 265 . 1 1 34 34 GLN HA H 1 4.7 0.01 . 1 . . . . A 34 GLN HA . 30514 1 266 . 1 1 34 34 GLN HB2 H 1 2.1 0.01 . 2 . . . . A 34 GLN HB2 . 30514 1 267 . 1 1 34 34 GLN HB3 H 1 2.1 0.01 . 2 . . . . A 34 GLN HB3 . 30514 1 268 . 1 1 34 34 GLN HG2 H 1 2.49 0.01 . 2 . . . . A 34 GLN HG2 . 30514 1 269 . 1 1 34 34 GLN HG3 H 1 2.49 0.01 . 2 . . . . A 34 GLN HG3 . 30514 1 270 . 1 1 34 34 GLN CA C 13 55.8 0.1 . 1 . . . . A 34 GLN CA . 30514 1 271 . 1 1 35 35 GLU H H 1 8.91 0.01 . 1 . . . . A 35 GLU H . 30514 1 272 . 1 1 35 35 GLU HA H 1 4.20 0.01 . 1 . . . . A 35 GLU HA . 30514 1 273 . 1 1 35 35 GLU HB2 H 1 1.99 0.01 . 2 . . . . A 35 GLU HB2 . 30514 1 274 . 1 1 35 35 GLU HB3 H 1 1.99 0.01 . 2 . . . . A 35 GLU HB3 . 30514 1 275 . 1 1 35 35 GLU HG2 H 1 2.36 0.01 . 2 . . . . A 35 GLU HG2 . 30514 1 276 . 1 1 35 35 GLU HG3 H 1 2.36 0.01 . 2 . . . . A 35 GLU HG3 . 30514 1 277 . 1 1 35 35 GLU C C 13 175.7 0.1 . 1 . . . . A 35 GLU C . 30514 1 278 . 1 1 35 35 GLU CA C 13 56.7 0.1 . 1 . . . . A 35 GLU CA . 30514 1 279 . 1 1 35 35 GLU CB C 13 30.3 0.1 . 1 . . . . A 35 GLU CB . 30514 1 280 . 1 1 35 35 GLU CG C 13 36.6 0.1 . 1 . . . . A 35 GLU CG . 30514 1 281 . 1 1 36 36 ALA H H 1 8.82 0.01 . 1 . . . . A 36 ALA H . 30514 1 282 . 1 1 36 36 ALA HA H 1 4.43 0.01 . 1 . . . . A 36 ALA HA . 30514 1 283 . 1 1 36 36 ALA HB1 H 1 1.14 0.01 . 1 . . . . A 36 ALA HB1 . 30514 1 284 . 1 1 36 36 ALA HB2 H 1 1.14 0.01 . 1 . . . . A 36 ALA HB2 . 30514 1 285 . 1 1 36 36 ALA HB3 H 1 1.14 0.01 . 1 . . . . A 36 ALA HB3 . 30514 1 286 . 1 1 36 36 ALA C C 13 177.2 0.1 . 1 . . . . A 36 ALA C . 30514 1 287 . 1 1 36 36 ALA CA C 13 51.2 0.1 . 1 . . . . A 36 ALA CA . 30514 1 288 . 1 1 36 36 ALA CB C 13 21.3 0.1 . 1 . . . . A 36 ALA CB . 30514 1 289 . 1 1 37 37 ARG H H 1 8.58 0.01 . 1 . . . . A 37 ARG H . 30514 1 290 . 1 1 37 37 ARG HA H 1 4.71 0.01 . 1 . . . . A 37 ARG HA . 30514 1 291 . 1 1 37 37 ARG HB2 H 1 1.51 0.01 . 2 . . . . A 37 ARG HB2 . 30514 1 292 . 1 1 37 37 ARG HB3 H 1 1.51 0.01 . 2 . . . . A 37 ARG HB3 . 30514 1 293 . 1 1 37 37 ARG HG2 H 1 1.75 0.01 . 2 . . . . A 37 ARG HG2 . 30514 1 294 . 1 1 37 37 ARG HG3 H 1 1.75 0.01 . 2 . . . . A 37 ARG HG3 . 30514 1 295 . 1 1 37 37 ARG HD2 H 1 3.2 0.01 . 2 . . . . A 37 ARG HD2 . 30514 1 296 . 1 1 37 37 ARG HD3 H 1 3.2 0.01 . 2 . . . . A 37 ARG HD3 . 30514 1 297 . 1 1 37 37 ARG C C 13 174.4 0.1 . 1 . . . . A 37 ARG C . 30514 1 298 . 1 1 37 37 ARG CA C 13 55.1 0.1 . 1 . . . . A 37 ARG CA . 30514 1 299 . 1 1 37 37 ARG CB C 13 32.6 0.1 . 1 . . . . A 37 ARG CB . 30514 1 300 . 1 1 37 37 ARG CG C 13 27.4 0.1 . 1 . . . . A 37 ARG CG . 30514 1 301 . 1 1 37 37 ARG CD C 13 44.0 0.1 . 1 . . . . A 37 ARG CD . 30514 1 302 . 1 1 38 38 TRP H H 1 9.42 0.01 . 1 . . . . A 38 TRP H . 30514 1 303 . 1 1 38 38 TRP HA H 1 5.65 0.01 . 1 . . . . A 38 TRP HA . 30514 1 304 . 1 1 38 38 TRP HB2 H 1 3.2 0.01 . 2 . . . . A 38 TRP HB2 . 30514 1 305 . 1 1 38 38 TRP HB3 H 1 3.2 0.01 . 2 . . . . A 38 TRP HB3 . 30514 1 306 . 1 1 38 38 TRP C C 13 176.4 0.1 . 1 . . . . A 38 TRP C . 30514 1 307 . 1 1 38 38 TRP CA C 13 55.7 0.1 . 1 . . . . A 38 TRP CA . 30514 1 308 . 1 1 38 38 TRP CB C 13 32.5 0.1 . 1 . . . . A 38 TRP CB . 30514 1 309 . 1 1 39 39 ALA H H 1 9.37 0.01 . 1 . . . . A 39 ALA H . 30514 1 310 . 1 1 39 39 ALA HA H 1 5.05 0.01 . 1 . . . . A 39 ALA HA . 30514 1 311 . 1 1 39 39 ALA HB1 H 1 1.03 0.01 . 1 . . . . A 39 ALA HB1 . 30514 1 312 . 1 1 39 39 ALA HB2 H 1 1.03 0.01 . 1 . . . . A 39 ALA HB2 . 30514 1 313 . 1 1 39 39 ALA HB3 H 1 1.03 0.01 . 1 . . . . A 39 ALA HB3 . 30514 1 314 . 1 1 39 39 ALA C C 13 174.3 0.1 . 1 . . . . A 39 ALA C . 30514 1 315 . 1 1 39 39 ALA CA C 13 51.7 0.1 . 1 . . . . A 39 ALA CA . 30514 1 316 . 1 1 39 39 ALA CB C 13 22.4 0.1 . 1 . . . . A 39 ALA CB . 30514 1 317 . 1 1 40 40 LEU H H 1 8.27 0.01 . 1 . . . . A 40 LEU H . 30514 1 318 . 1 1 40 40 LEU HA H 1 5.22 0.01 . 1 . . . . A 40 LEU HA . 30514 1 319 . 1 1 40 40 LEU HB2 H 1 1.64 0.01 . 2 . . . . A 40 LEU HB2 . 30514 1 320 . 1 1 40 40 LEU HB3 H 1 1.64 0.01 . 2 . . . . A 40 LEU HB3 . 30514 1 321 . 1 1 40 40 LEU HD11 H 1 1.2 0.01 . 2 . . . . A 40 LEU HD11 . 30514 1 322 . 1 1 40 40 LEU HD12 H 1 1.2 0.01 . 2 . . . . A 40 LEU HD12 . 30514 1 323 . 1 1 40 40 LEU HD13 H 1 1.2 0.01 . 2 . . . . A 40 LEU HD13 . 30514 1 324 . 1 1 40 40 LEU HD21 H 1 0.88 0.01 . 2 . . . . A 40 LEU HD21 . 30514 1 325 . 1 1 40 40 LEU HD22 H 1 0.88 0.01 . 2 . . . . A 40 LEU HD22 . 30514 1 326 . 1 1 40 40 LEU HD23 H 1 0.88 0.01 . 2 . . . . A 40 LEU HD23 . 30514 1 327 . 1 1 40 40 LEU C C 13 178.5 0.1 . 1 . . . . A 40 LEU C . 30514 1 328 . 1 1 40 40 LEU CA C 13 53.4 0.1 . 1 . . . . A 40 LEU CA . 30514 1 329 . 1 1 40 40 LEU CB C 13 45.8 0.1 . 1 . . . . A 40 LEU CB . 30514 1 330 . 1 1 40 40 LEU CG C 13 25.8 0.1 . 1 . . . . A 40 LEU CG . 30514 1 331 . 1 1 41 41 GLY H H 1 9.73 0.01 . 1 . . . . A 41 GLY H . 30514 1 332 . 1 1 41 41 GLY HA2 H 1 4.17 0.01 . 2 . . . . A 41 GLY HA2 . 30514 1 333 . 1 1 41 41 GLY HA3 H 1 3.98 0.01 . 2 . . . . A 41 GLY HA3 . 30514 1 334 . 1 1 41 41 GLY C C 13 175.9 0.1 . 1 . . . . A 41 GLY C . 30514 1 335 . 1 1 41 41 GLY CA C 13 47.2 0.1 . 1 . . . . A 41 GLY CA . 30514 1 336 . 1 1 42 42 GLY H H 1 8.61 0.01 . 1 . . . . A 42 GLY H . 30514 1 337 . 1 1 42 42 GLY HA2 H 1 4.03 0.01 . 2 . . . . A 42 GLY HA2 . 30514 1 338 . 1 1 42 42 GLY HA3 H 1 4.03 0.01 . 2 . . . . A 42 GLY HA3 . 30514 1 339 . 1 1 42 42 GLY C C 13 173.5 0.1 . 1 . . . . A 42 GLY C . 30514 1 340 . 1 1 42 42 GLY CA C 13 44.6 0.1 . 1 . . . . A 42 GLY CA . 30514 1 341 . 1 1 43 43 VAL H H 1 7.74 0.01 . 1 . . . . A 43 VAL H . 30514 1 342 . 1 1 43 43 VAL HA H 1 4.44 0.01 . 1 . . . . A 43 VAL HA . 30514 1 343 . 1 1 43 43 VAL HB H 1 2.31 0.01 . 1 . . . . A 43 VAL HB . 30514 1 344 . 1 1 43 43 VAL HG11 H 1 0.98 0.01 . 2 . . . . A 43 VAL HG11 . 30514 1 345 . 1 1 43 43 VAL HG12 H 1 0.98 0.01 . 2 . . . . A 43 VAL HG12 . 30514 1 346 . 1 1 43 43 VAL HG13 H 1 0.98 0.01 . 2 . . . . A 43 VAL HG13 . 30514 1 347 . 1 1 43 43 VAL HG21 H 1 0.98 0.01 . 2 . . . . A 43 VAL HG21 . 30514 1 348 . 1 1 43 43 VAL HG22 H 1 0.98 0.01 . 2 . . . . A 43 VAL HG22 . 30514 1 349 . 1 1 43 43 VAL HG23 H 1 0.98 0.01 . 2 . . . . A 43 VAL HG23 . 30514 1 350 . 1 1 43 43 VAL C C 13 173.8 0.1 . 1 . . . . A 43 VAL C . 30514 1 351 . 1 1 43 43 VAL CA C 13 60.1 0.1 . 1 . . . . A 43 VAL CA . 30514 1 352 . 1 1 43 43 VAL CB C 13 33.0 0.1 . 1 . . . . A 43 VAL CB . 30514 1 353 . 1 1 44 44 PRO HA H 1 4.47 0.01 . 1 . . . . A 44 PRO HA . 30514 1 354 . 1 1 44 44 PRO HB2 H 1 2.0 0.01 . 2 . . . . A 44 PRO HB2 . 30514 1 355 . 1 1 44 44 PRO HB3 H 1 2.0 0.01 . 2 . . . . A 44 PRO HB3 . 30514 1 356 . 1 1 44 44 PRO CA C 13 61.8 0.1 . 1 . . . . A 44 PRO CA . 30514 1 357 . 1 1 44 44 PRO CB C 13 33.6 0.1 . 1 . . . . A 44 PRO CB . 30514 1 358 . 1 1 44 44 PRO CG C 13 26.5 0.1 . 1 . . . . A 44 PRO CG . 30514 1 359 . 1 1 45 45 LEU H H 1 7.93 0.01 . 1 . . . . A 45 LEU H . 30514 1 360 . 1 1 45 45 LEU HA H 1 4.52 0.01 . 1 . . . . A 45 LEU HA . 30514 1 361 . 1 1 45 45 LEU HB2 H 1 1.59 0.01 . 2 . . . . A 45 LEU HB2 . 30514 1 362 . 1 1 45 45 LEU HB3 H 1 1.42 0.01 . 2 . . . . A 45 LEU HB3 . 30514 1 363 . 1 1 45 45 LEU HD11 H 1 1.0 0.01 . 2 . . . . A 45 LEU HD11 . 30514 1 364 . 1 1 45 45 LEU HD12 H 1 1.0 0.01 . 2 . . . . A 45 LEU HD12 . 30514 1 365 . 1 1 45 45 LEU HD13 H 1 1.0 0.01 . 2 . . . . A 45 LEU HD13 . 30514 1 366 . 1 1 45 45 LEU HD21 H 1 1.0 0.01 . 2 . . . . A 45 LEU HD21 . 30514 1 367 . 1 1 45 45 LEU HD22 H 1 1.0 0.01 . 2 . . . . A 45 LEU HD22 . 30514 1 368 . 1 1 45 45 LEU HD23 H 1 1.0 0.01 . 2 . . . . A 45 LEU HD23 . 30514 1 369 . 1 1 45 45 LEU C C 13 176.9 0.1 . 1 . . . . A 45 LEU C . 30514 1 370 . 1 1 45 45 LEU CA C 13 55.7 0.1 . 1 . . . . A 45 LEU CA . 30514 1 371 . 1 1 45 45 LEU CB C 13 44.8 0.1 . 1 . . . . A 45 LEU CB . 30514 1 372 . 1 1 45 45 LEU CG C 13 26.9 0.1 . 1 . . . . A 45 LEU CG . 30514 1 373 . 1 1 45 45 LEU CD1 C 13 24.7 0.1 . 2 . . . . A 45 LEU CD1 . 30514 1 374 . 1 1 45 45 LEU CD2 C 13 24.7 0.1 . 2 . . . . A 45 LEU CD2 . 30514 1 375 . 1 1 46 46 GLN H H 1 8.67 0.01 . 1 . . . . A 46 GLN H . 30514 1 376 . 1 1 46 46 GLN HA H 1 4.77 0.01 . 1 . . . . A 46 GLN HA . 30514 1 377 . 1 1 46 46 GLN HB2 H 1 1.89 0.01 . 2 . . . . A 46 GLN HB2 . 30514 1 378 . 1 1 46 46 GLN HB3 H 1 1.89 0.01 . 2 . . . . A 46 GLN HB3 . 30514 1 379 . 1 1 46 46 GLN HG2 H 1 2.48 0.01 . 2 . . . . A 46 GLN HG2 . 30514 1 380 . 1 1 46 46 GLN HG3 H 1 2.48 0.01 . 2 . . . . A 46 GLN HG3 . 30514 1 381 . 1 1 46 46 GLN C C 13 174.7 0.1 . 1 . . . . A 46 GLN C . 30514 1 382 . 1 1 46 46 GLN CA C 13 53.9 0.1 . 1 . . . . A 46 GLN CA . 30514 1 383 . 1 1 46 46 GLN CB C 13 32.2 0.1 . 1 . . . . A 46 GLN CB . 30514 1 384 . 1 1 46 46 GLN CG C 13 34.1 0.1 . 1 . . . . A 46 GLN CG . 30514 1 385 . 1 1 47 47 ALA H H 1 8.68 0.01 . 1 . . . . A 47 ALA H . 30514 1 386 . 1 1 47 47 ALA HA H 1 4.48 0.01 . 1 . . . . A 47 ALA HA . 30514 1 387 . 1 1 47 47 ALA HB1 H 1 1.56 0.01 . 1 . . . . A 47 ALA HB1 . 30514 1 388 . 1 1 47 47 ALA HB2 H 1 1.56 0.01 . 1 . . . . A 47 ALA HB2 . 30514 1 389 . 1 1 47 47 ALA HB3 H 1 1.56 0.01 . 1 . . . . A 47 ALA HB3 . 30514 1 390 . 1 1 47 47 ALA C C 13 177.4 0.1 . 1 . . . . A 47 ALA C . 30514 1 391 . 1 1 47 47 ALA CA C 13 52.7 0.1 . 1 . . . . A 47 ALA CA . 30514 1 392 . 1 1 47 47 ALA CB C 13 18.6 0.1 . 1 . . . . A 47 ALA CB . 30514 1 393 . 1 1 48 48 ASN H H 1 9.01 0.01 . 1 . . . . A 48 ASN H . 30514 1 394 . 1 1 48 48 ASN HA H 1 4.67 0.01 . 1 . . . . A 48 ASN HA . 30514 1 395 . 1 1 48 48 ASN HB2 H 1 3.13 0.01 . 2 . . . . A 48 ASN HB2 . 30514 1 396 . 1 1 48 48 ASN HB3 H 1 3.13 0.01 . 2 . . . . A 48 ASN HB3 . 30514 1 397 . 1 1 48 48 ASN C C 13 175.0 0.1 . 1 . . . . A 48 ASN C . 30514 1 398 . 1 1 48 48 ASN CA C 13 53.4 0.1 . 1 . . . . A 48 ASN CA . 30514 1 399 . 1 1 48 48 ASN CB C 13 36.8 0.1 . 1 . . . . A 48 ASN CB . 30514 1 400 . 1 1 49 49 GLU H H 1 8.87 0.01 . 1 . . . . A 49 GLU H . 30514 1 401 . 1 1 49 49 GLU HA H 1 4.2 0.01 . 1 . . . . A 49 GLU HA . 30514 1 402 . 1 1 49 49 GLU HB2 H 1 2.1 0.01 . 2 . . . . A 49 GLU HB2 . 30514 1 403 . 1 1 49 49 GLU HB3 H 1 2.1 0.01 . 2 . . . . A 49 GLU HB3 . 30514 1 404 . 1 1 49 49 GLU HG2 H 1 2.3 0.01 . 2 . . . . A 49 GLU HG2 . 30514 1 405 . 1 1 49 49 GLU HG3 H 1 2.3 0.01 . 2 . . . . A 49 GLU HG3 . 30514 1 406 . 1 1 49 49 GLU C C 13 177.1 0.1 . 1 . . . . A 49 GLU C . 30514 1 407 . 1 1 49 49 GLU CA C 13 59.3 0.1 . 1 . . . . A 49 GLU CA . 30514 1 408 . 1 1 49 49 GLU CB C 13 29.3 0.1 . 1 . . . . A 49 GLU CB . 30514 1 409 . 1 1 49 49 GLU CG C 13 36.7 0.1 . 1 . . . . A 49 GLU CG . 30514 1 410 . 1 1 50 50 MET H H 1 8.16 0.01 . 1 . . . . A 50 MET H . 30514 1 411 . 1 1 50 50 MET HA H 1 4.63 0.01 . 1 . . . . A 50 MET HA . 30514 1 412 . 1 1 50 50 MET HB2 H 1 2.08 0.01 . 2 . . . . A 50 MET HB2 . 30514 1 413 . 1 1 50 50 MET HB3 H 1 2.08 0.01 . 2 . . . . A 50 MET HB3 . 30514 1 414 . 1 1 50 50 MET HG2 H 1 2.4 0.01 . 2 . . . . A 50 MET HG2 . 30514 1 415 . 1 1 50 50 MET HG3 H 1 2.4 0.01 . 2 . . . . A 50 MET HG3 . 30514 1 416 . 1 1 50 50 MET C C 13 174.8 0.1 . 1 . . . . A 50 MET C . 30514 1 417 . 1 1 50 50 MET CA C 13 55.8 0.1 . 1 . . . . A 50 MET CA . 30514 1 418 . 1 1 50 50 MET CB C 13 32.6 0.1 . 1 . . . . A 50 MET CB . 30514 1 419 . 1 1 50 50 MET CG C 13 32.8 0.1 . 1 . . . . A 50 MET CG . 30514 1 420 . 1 1 51 51 ASN H H 1 7.91 0.01 . 1 . . . . A 51 ASN H . 30514 1 421 . 1 1 51 51 ASN HA H 1 5.47 0.01 . 1 . . . . A 51 ASN HA . 30514 1 422 . 1 1 51 51 ASN HB2 H 1 3.13 0.01 . 2 . . . . A 51 ASN HB2 . 30514 1 423 . 1 1 51 51 ASN HB3 H 1 3.13 0.01 . 2 . . . . A 51 ASN HB3 . 30514 1 424 . 1 1 51 51 ASN C C 13 179.9 0.1 . 1 . . . . A 51 ASN C . 30514 1 425 . 1 1 51 51 ASN CA C 13 51.3 0.1 . 1 . . . . A 51 ASN CA . 30514 1 426 . 1 1 51 51 ASN CB C 13 39.7 0.1 . 1 . . . . A 51 ASN CB . 30514 1 427 . 1 1 52 52 ASP H H 1 8.95 0.01 . 1 . . . . A 52 ASP H . 30514 1 428 . 1 1 52 52 ASP HA H 1 5.15 0.01 . 1 . . . . A 52 ASP HA . 30514 1 429 . 1 1 52 52 ASP HB2 H 1 2.55 0.01 . 2 . . . . A 52 ASP HB2 . 30514 1 430 . 1 1 52 52 ASP HB3 H 1 2.77 0.01 . 2 . . . . A 52 ASP HB3 . 30514 1 431 . 1 1 52 52 ASP C C 13 175.4 0.1 . 1 . . . . A 52 ASP C . 30514 1 432 . 1 1 52 52 ASP CA C 13 53.1 0.1 . 1 . . . . A 52 ASP CA . 30514 1 433 . 1 1 52 52 ASP CB C 13 42.7 0.1 . 1 . . . . A 52 ASP CB . 30514 1 434 . 1 1 53 53 ILE H H 1 8.20 0.01 . 1 . . . . A 53 ILE H . 30514 1 435 . 1 1 53 53 ILE HA H 1 4.83 0.01 . 1 . . . . A 53 ILE HA . 30514 1 436 . 1 1 53 53 ILE HB H 1 1.59 0.01 . 1 . . . . A 53 ILE HB . 30514 1 437 . 1 1 53 53 ILE HG12 H 1 1.14 0.01 . 2 . . . . A 53 ILE HG12 . 30514 1 438 . 1 1 53 53 ILE HG13 H 1 1.14 0.01 . 2 . . . . A 53 ILE HG13 . 30514 1 439 . 1 1 53 53 ILE HG21 H 1 0.7 0.01 . 1 . . . . A 53 ILE HG21 . 30514 1 440 . 1 1 53 53 ILE HG22 H 1 0.7 0.01 . 1 . . . . A 53 ILE HG22 . 30514 1 441 . 1 1 53 53 ILE HG23 H 1 0.7 0.01 . 1 . . . . A 53 ILE HG23 . 30514 1 442 . 1 1 53 53 ILE HD11 H 1 0.9 0.01 . 1 . . . . A 53 ILE HD11 . 30514 1 443 . 1 1 53 53 ILE HD12 H 1 0.9 0.01 . 1 . . . . A 53 ILE HD12 . 30514 1 444 . 1 1 53 53 ILE HD13 H 1 0.9 0.01 . 1 . . . . A 53 ILE HD13 . 30514 1 445 . 1 1 53 53 ILE C C 13 175.9 0.1 . 1 . . . . A 53 ILE C . 30514 1 446 . 1 1 53 53 ILE CA C 13 61.3 0.1 . 1 . . . . A 53 ILE CA . 30514 1 447 . 1 1 53 53 ILE CB C 13 41.5 0.1 . 1 . . . . A 53 ILE CB . 30514 1 448 . 1 1 53 53 ILE CG2 C 13 18.7 0.1 . 1 . . . . A 53 ILE CG2 . 30514 1 449 . 1 1 53 53 ILE CD1 C 13 13.7 0.1 . 1 . . . . A 53 ILE CD1 . 30514 1 450 . 1 1 54 54 THR H H 1 9.12 0.01 . 1 . . . . A 54 THR H . 30514 1 451 . 1 1 54 54 THR HA H 1 4.88 0.01 . 1 . . . . A 54 THR HA . 30514 1 452 . 1 1 54 54 THR HB H 1 4.88 0.01 . 1 . . . . A 54 THR HB . 30514 1 453 . 1 1 54 54 THR HG21 H 1 1.14 0.01 . 1 . . . . A 54 THR HG1 . 30514 1 454 . 1 1 54 54 THR HG22 H 1 1.14 0.01 . 1 . . . . A 54 THR HG1 . 30514 1 455 . 1 1 54 54 THR HG23 H 1 1.14 0.01 . 1 . . . . A 54 THR HG1 . 30514 1 456 . 1 1 54 54 THR C C 13 173.8 0.1 . 1 . . . . A 54 THR C . 30514 1 457 . 1 1 54 54 THR CA C 13 60.2 0.1 . 1 . . . . A 54 THR CA . 30514 1 458 . 1 1 54 54 THR CB C 13 73.4 0.1 . 1 . . . . A 54 THR CB . 30514 1 459 . 1 1 54 54 THR CG2 C 13 22.5 0.1 . 1 . . . . A 54 THR CG2 . 30514 1 460 . 1 1 55 55 VAL H H 1 8.49 0.01 . 1 . . . . A 55 VAL H . 30514 1 461 . 1 1 55 55 VAL HA H 1 4.92 0.01 . 1 . . . . A 55 VAL HA . 30514 1 462 . 1 1 55 55 VAL HB H 1 1.9 0.01 . 1 . . . . A 55 VAL HB . 30514 1 463 . 1 1 55 55 VAL HG11 H 1 0.51 0.01 . 2 . . . . A 55 VAL HG11 . 30514 1 464 . 1 1 55 55 VAL HG12 H 1 0.51 0.01 . 2 . . . . A 55 VAL HG12 . 30514 1 465 . 1 1 55 55 VAL HG13 H 1 0.51 0.01 . 2 . . . . A 55 VAL HG13 . 30514 1 466 . 1 1 55 55 VAL HG21 H 1 0.73 0.01 . 2 . . . . A 55 VAL HG21 . 30514 1 467 . 1 1 55 55 VAL HG22 H 1 0.73 0.01 . 2 . . . . A 55 VAL HG22 . 30514 1 468 . 1 1 55 55 VAL HG23 H 1 0.73 0.01 . 2 . . . . A 55 VAL HG23 . 30514 1 469 . 1 1 55 55 VAL C C 13 177.6 0.1 . 1 . . . . A 55 VAL C . 30514 1 470 . 1 1 55 55 VAL CA C 13 62.5 0.1 . 1 . . . . A 55 VAL CA . 30514 1 471 . 1 1 55 55 VAL CB C 13 32.6 0.1 . 1 . . . . A 55 VAL CB . 30514 1 472 . 1 1 55 55 VAL CG1 C 13 21.4 0.1 . 2 . . . . A 55 VAL CG1 . 30514 1 473 . 1 1 55 55 VAL CG2 C 13 21.4 0.1 . 2 . . . . A 55 VAL CG2 . 30514 1 474 . 1 1 56 56 GLU H H 1 9.58 0.01 . 1 . . . . A 56 GLU H . 30514 1 475 . 1 1 56 56 GLU HA H 1 4.75 0.01 . 1 . . . . A 56 GLU HA . 30514 1 476 . 1 1 56 56 GLU HB2 H 1 1.85 0.01 . 2 . . . . A 56 GLU HB2 . 30514 1 477 . 1 1 56 56 GLU HB3 H 1 1.85 0.01 . 2 . . . . A 56 GLU HB3 . 30514 1 478 . 1 1 56 56 GLU HG2 H 1 2.15 0.01 . 2 . . . . A 56 GLU HG2 . 30514 1 479 . 1 1 56 56 GLU HG3 H 1 2.15 0.01 . 2 . . . . A 56 GLU HG3 . 30514 1 480 . 1 1 56 56 GLU C C 13 175.5 0.1 . 1 . . . . A 56 GLU C . 30514 1 481 . 1 1 56 56 GLU CA C 13 55.0 0.1 . 1 . . . . A 56 GLU CA . 30514 1 482 . 1 1 56 56 GLU CB C 13 32.2 0.1 . 1 . . . . A 56 GLU CB . 30514 1 483 . 1 1 57 57 GLN H H 1 8.15 0.01 . 1 . . . . A 57 GLN H . 30514 1 484 . 1 1 57 57 GLN HB2 H 1 2.17 0.01 . 2 . . . . A 57 GLN HB2 . 30514 1 485 . 1 1 57 57 GLN HB3 H 1 2.17 0.01 . 2 . . . . A 57 GLN HB3 . 30514 1 486 . 1 1 57 57 GLN HG2 H 1 2.3 0.01 . 2 . . . . A 57 GLN HG2 . 30514 1 487 . 1 1 57 57 GLN HG3 H 1 2.3 0.01 . 2 . . . . A 57 GLN HG3 . 30514 1 488 . 1 1 58 58 GLY HA2 H 1 4.4 0.01 . 2 . . . . A 58 GLY HA2 . 30514 1 489 . 1 1 58 58 GLY HA3 H 1 3.7 0.01 . 2 . . . . A 58 GLY HA3 . 30514 1 490 . 1 1 58 58 GLY CA C 13 46.4 0.1 . 1 . . . . A 58 GLY CA . 30514 1 491 . 1 1 59 59 THR H H 1 7.59 0.01 . 1 . . . . A 59 THR H . 30514 1 492 . 1 1 59 59 THR HA H 1 4.39 0.01 . 1 . . . . A 59 THR HA . 30514 1 493 . 1 1 59 59 THR HB H 1 5.05 0.01 . 1 . . . . A 59 THR HB . 30514 1 494 . 1 1 59 59 THR HG21 H 1 1.16 0.01 . 1 . . . . A 59 THR HG1 . 30514 1 495 . 1 1 59 59 THR HG22 H 1 1.16 0.01 . 1 . . . . A 59 THR HG1 . 30514 1 496 . 1 1 59 59 THR HG23 H 1 1.16 0.01 . 1 . . . . A 59 THR HG1 . 30514 1 497 . 1 1 59 59 THR C C 13 173.0 0.1 . 1 . . . . A 59 THR C . 30514 1 498 . 1 1 59 59 THR CA C 13 62.3 0.1 . 1 . . . . A 59 THR CA . 30514 1 499 . 1 1 59 59 THR CB C 13 70.9 0.1 . 1 . . . . A 59 THR CB . 30514 1 500 . 1 1 59 59 THR CG2 C 13 22.1 0.1 . 1 . . . . A 59 THR CG2 . 30514 1 501 . 1 1 60 60 LEU H H 1 8.16 0.01 . 1 . . . . A 60 LEU H . 30514 1 502 . 1 1 60 60 LEU HA H 1 4.76 0.01 . 1 . . . . A 60 LEU HA . 30514 1 503 . 1 1 60 60 LEU HD11 H 1 0.83 0.01 . 2 . . . . A 60 LEU HD11 . 30514 1 504 . 1 1 60 60 LEU HD12 H 1 0.83 0.01 . 2 . . . . A 60 LEU HD12 . 30514 1 505 . 1 1 60 60 LEU HD13 H 1 0.83 0.01 . 2 . . . . A 60 LEU HD13 . 30514 1 506 . 1 1 60 60 LEU HD21 H 1 0.67 0.01 . 2 . . . . A 60 LEU HD21 . 30514 1 507 . 1 1 60 60 LEU HD22 H 1 0.67 0.01 . 2 . . . . A 60 LEU HD22 . 30514 1 508 . 1 1 60 60 LEU HD23 H 1 0.67 0.01 . 2 . . . . A 60 LEU HD23 . 30514 1 509 . 1 1 60 60 LEU C C 13 173.7 0.1 . 1 . . . . A 60 LEU C . 30514 1 510 . 1 1 60 60 LEU CA C 13 60.0 0.1 . 1 . . . . A 60 LEU CA . 30514 1 511 . 1 1 60 60 LEU CB C 13 42.9 0.1 . 1 . . . . A 60 LEU CB . 30514 1 512 . 1 1 61 61 HIS H H 1 8.71 0.01 . 1 . . . . A 61 HIS H . 30514 1 513 . 1 1 61 61 HIS HA H 1 4.14 0.01 . 1 . . . . A 61 HIS HA . 30514 1 514 . 1 1 61 61 HIS HB2 H 1 1.84 0.01 . 2 . . . . A 61 HIS HB2 . 30514 1 515 . 1 1 61 61 HIS HB3 H 1 1.84 0.01 . 2 . . . . A 61 HIS HB3 . 30514 1 516 . 1 1 61 61 HIS C C 13 176.1 0.1 . 1 . . . . A 61 HIS C . 30514 1 517 . 1 1 61 61 HIS CA C 13 62.2 0.1 . 1 . . . . A 61 HIS CA . 30514 1 518 . 1 1 61 61 HIS CB C 13 37.8 0.1 . 1 . . . . A 61 HIS CB . 30514 1 519 . 1 1 62 62 LEU H H 1 8.98 0.01 . 1 . . . . A 62 LEU H . 30514 1 520 . 1 1 62 62 LEU HA H 1 4.46 0.01 . 1 . . . . A 62 LEU HA . 30514 1 521 . 1 1 62 62 LEU HB2 H 1 1.35 0.01 . 2 . . . . A 62 LEU HB2 . 30514 1 522 . 1 1 62 62 LEU HB3 H 1 1.35 0.01 . 2 . . . . A 62 LEU HB3 . 30514 1 523 . 1 1 62 62 LEU HG H 1 1.4 0.01 . 1 . . . . A 62 LEU HG . 30514 1 524 . 1 1 62 62 LEU HD11 H 1 0.84 0.01 . 2 . . . . A 62 LEU HD11 . 30514 1 525 . 1 1 62 62 LEU HD12 H 1 0.84 0.01 . 2 . . . . A 62 LEU HD12 . 30514 1 526 . 1 1 62 62 LEU HD13 H 1 0.84 0.01 . 2 . . . . A 62 LEU HD13 . 30514 1 527 . 1 1 62 62 LEU HD21 H 1 0.84 0.01 . 2 . . . . A 62 LEU HD21 . 30514 1 528 . 1 1 62 62 LEU HD22 H 1 0.84 0.01 . 2 . . . . A 62 LEU HD22 . 30514 1 529 . 1 1 62 62 LEU HD23 H 1 0.84 0.01 . 2 . . . . A 62 LEU HD23 . 30514 1 530 . 1 1 62 62 LEU C C 13 177.7 0.1 . 1 . . . . A 62 LEU C . 30514 1 531 . 1 1 62 62 LEU CA C 13 55.9 0.1 . 1 . . . . A 62 LEU CA . 30514 1 532 . 1 1 62 62 LEU CB C 13 43.7 0.1 . 1 . . . . A 62 LEU CB . 30514 1 533 . 1 1 62 62 LEU CG C 13 27.3 0.1 . 1 . . . . A 62 LEU CG . 30514 1 534 . 1 1 62 62 LEU CD1 C 13 25.4 0.1 . 2 . . . . A 62 LEU CD1 . 30514 1 535 . 1 1 62 62 LEU CD2 C 13 25.4 0.1 . 2 . . . . A 62 LEU CD2 . 30514 1 536 . 1 1 63 63 LEU H H 1 7.52 0.01 . 1 . . . . A 63 LEU H . 30514 1 537 . 1 1 63 63 LEU HA H 1 5.15 0.01 . 1 . . . . A 63 LEU HA . 30514 1 538 . 1 1 63 63 LEU HG H 1 0.69 0.01 . 1 . . . . A 63 LEU HG . 30514 1 539 . 1 1 63 63 LEU HD11 H 1 0.32 0.01 . 2 . . . . A 63 LEU HD11 . 30514 1 540 . 1 1 63 63 LEU HD12 H 1 0.32 0.01 . 2 . . . . A 63 LEU HD12 . 30514 1 541 . 1 1 63 63 LEU HD13 H 1 0.32 0.01 . 2 . . . . A 63 LEU HD13 . 30514 1 542 . 1 1 63 63 LEU HD21 H 1 0.32 0.01 . 2 . . . . A 63 LEU HD21 . 30514 1 543 . 1 1 63 63 LEU HD22 H 1 0.32 0.01 . 2 . . . . A 63 LEU HD22 . 30514 1 544 . 1 1 63 63 LEU HD23 H 1 0.32 0.01 . 2 . . . . A 63 LEU HD23 . 30514 1 545 . 1 1 63 63 LEU CA C 13 52.5 0.1 . 1 . . . . A 63 LEU CA . 30514 1 546 . 1 1 63 63 LEU CB C 13 41.9 0.1 . 1 . . . . A 63 LEU CB . 30514 1 547 . 1 1 63 63 LEU CG C 13 27.5 0.1 . 1 . . . . A 63 LEU CG . 30514 1 548 . 1 1 63 63 LEU CD1 C 13 23.1 0.1 . 2 . . . . A 63 LEU CD1 . 30514 1 549 . 1 1 63 63 LEU CD2 C 13 23.1 0.1 . 2 . . . . A 63 LEU CD2 . 30514 1 550 . 1 1 64 64 THR H H 1 8.86 0.01 . 1 . . . . A 64 THR H . 30514 1 551 . 1 1 64 64 THR HA H 1 5.07 0.01 . 1 . . . . A 64 THR HA . 30514 1 552 . 1 1 64 64 THR HB H 1 3.72 0.01 . 1 . . . . A 64 THR HB . 30514 1 553 . 1 1 64 64 THR HG21 H 1 1.16 0.01 . 1 . . . . A 64 THR HG1 . 30514 1 554 . 1 1 64 64 THR HG22 H 1 1.16 0.01 . 1 . . . . A 64 THR HG1 . 30514 1 555 . 1 1 64 64 THR HG23 H 1 1.16 0.01 . 1 . . . . A 64 THR HG1 . 30514 1 556 . 1 1 64 64 THR C C 13 173.0 0.1 . 1 . . . . A 64 THR C . 30514 1 557 . 1 1 64 64 THR CA C 13 61.9 0.1 . 1 . . . . A 64 THR CA . 30514 1 558 . 1 1 64 64 THR CB C 13 71.5 0.1 . 1 . . . . A 64 THR CB . 30514 1 559 . 1 1 64 64 THR CG2 C 13 20.8 0.1 . 1 . . . . A 64 THR CG2 . 30514 1 560 . 1 1 65 65 LEU H H 1 9.18 0.01 . 1 . . . . A 65 LEU H . 30514 1 561 . 1 1 65 65 LEU HA H 1 4.74 0.01 . 1 . . . . A 65 LEU HA . 30514 1 562 . 1 1 65 65 LEU HB2 H 1 1.79 0.01 . 2 . . . . A 65 LEU HB2 . 30514 1 563 . 1 1 65 65 LEU HB3 H 1 1.79 0.01 . 2 . . . . A 65 LEU HB3 . 30514 1 564 . 1 1 65 65 LEU HD11 H 1 0.48 0.01 . 2 . . . . A 65 LEU HD11 . 30514 1 565 . 1 1 65 65 LEU HD12 H 1 0.48 0.01 . 2 . . . . A 65 LEU HD12 . 30514 1 566 . 1 1 65 65 LEU HD13 H 1 0.48 0.01 . 2 . . . . A 65 LEU HD13 . 30514 1 567 . 1 1 65 65 LEU HD21 H 1 0.87 0.01 . 2 . . . . A 65 LEU HD21 . 30514 1 568 . 1 1 65 65 LEU HD22 H 1 0.87 0.01 . 2 . . . . A 65 LEU HD22 . 30514 1 569 . 1 1 65 65 LEU HD23 H 1 0.87 0.01 . 2 . . . . A 65 LEU HD23 . 30514 1 570 . 1 1 65 65 LEU C C 13 175.3 0.1 . 1 . . . . A 65 LEU C . 30514 1 571 . 1 1 65 65 LEU CA C 13 53.0 0.1 . 1 . . . . A 65 LEU CA . 30514 1 572 . 1 1 65 65 LEU CB C 13 42.8 0.1 . 1 . . . . A 65 LEU CB . 30514 1 573 . 1 1 66 66 HIS H H 1 8.17 0.01 . 1 . . . . A 66 HIS H . 30514 1 574 . 1 1 66 66 HIS HA H 1 4.31 0.01 . 1 . . . . A 66 HIS HA . 30514 1 575 . 1 1 66 66 HIS HB2 H 1 2.09 0.01 . 2 . . . . A 66 HIS HB2 . 30514 1 576 . 1 1 66 66 HIS HB3 H 1 2.09 0.01 . 2 . . . . A 66 HIS HB3 . 30514 1 577 . 1 1 66 66 HIS C C 13 176.3 0.1 . 1 . . . . A 66 HIS C . 30514 1 578 . 1 1 66 66 HIS CA C 13 62.6 0.1 . 1 . . . . A 66 HIS CA . 30514 1 579 . 1 1 66 66 HIS CB C 13 32.7 0.1 . 1 . . . . A 66 HIS CB . 30514 1 580 . 1 1 67 67 LYS H H 1 8.56 0.01 . 1 . . . . A 67 LYS H . 30514 1 581 . 1 1 67 67 LYS HA H 1 4.95 0.01 . 1 . . . . A 67 LYS HA . 30514 1 582 . 1 1 67 67 LYS HB2 H 1 2.37 0.01 . 2 . . . . A 67 LYS HB2 . 30514 1 583 . 1 1 67 67 LYS HB3 H 1 2.37 0.01 . 2 . . . . A 67 LYS HB3 . 30514 1 584 . 1 1 67 67 LYS C C 13 176.1 0.1 . 1 . . . . A 67 LYS C . 30514 1 585 . 1 1 67 67 LYS CA C 13 55.7 0.1 . 1 . . . . A 67 LYS CA . 30514 1 586 . 1 1 67 67 LYS CB C 13 29.4 0.1 . 1 . . . . A 67 LYS CB . 30514 1 587 . 1 1 67 67 LYS CG C 13 25.7 0.1 . 1 . . . . A 67 LYS CG . 30514 1 588 . 1 1 67 67 LYS CD C 13 29.9 0.1 . 1 . . . . A 67 LYS CD . 30514 1 589 . 1 1 68 68 VAL H H 1 8.28 0.01 . 1 . . . . A 68 VAL H . 30514 1 590 . 1 1 68 68 VAL HA H 1 4.16 0.01 . 1 . . . . A 68 VAL HA . 30514 1 591 . 1 1 68 68 VAL HB H 1 2.23 0.01 . 1 . . . . A 68 VAL HB . 30514 1 592 . 1 1 68 68 VAL HG11 H 1 0.99 0.01 . 2 . . . . A 68 VAL HG11 . 30514 1 593 . 1 1 68 68 VAL HG12 H 1 0.99 0.01 . 2 . . . . A 68 VAL HG12 . 30514 1 594 . 1 1 68 68 VAL HG13 H 1 0.99 0.01 . 2 . . . . A 68 VAL HG13 . 30514 1 595 . 1 1 68 68 VAL HG21 H 1 0.99 0.01 . 2 . . . . A 68 VAL HG21 . 30514 1 596 . 1 1 68 68 VAL HG22 H 1 0.99 0.01 . 2 . . . . A 68 VAL HG22 . 30514 1 597 . 1 1 68 68 VAL HG23 H 1 0.99 0.01 . 2 . . . . A 68 VAL HG23 . 30514 1 598 . 1 1 68 68 VAL C C 13 176.7 0.1 . 1 . . . . A 68 VAL C . 30514 1 599 . 1 1 68 68 VAL CA C 13 62.9 0.1 . 1 . . . . A 68 VAL CA . 30514 1 600 . 1 1 68 68 VAL CB C 13 32.9 0.1 . 1 . . . . A 68 VAL CB . 30514 1 601 . 1 1 68 68 VAL CG1 C 13 21.0 0.1 . 2 . . . . A 68 VAL CG1 . 30514 1 602 . 1 1 68 68 VAL CG2 C 13 21.0 0.1 . 2 . . . . A 68 VAL CG2 . 30514 1 603 . 1 1 69 69 THR H H 1 9.34 0.01 . 1 . . . . A 69 THR H . 30514 1 604 . 1 1 69 69 THR HA H 1 4.61 0.01 . 1 . . . . A 69 THR HA . 30514 1 605 . 1 1 69 69 THR HB H 1 3.78 0.01 . 1 . . . . A 69 THR HB . 30514 1 606 . 1 1 69 69 THR HG1 H 1 5.1 0.01 . 1 . . . . A 69 THR HG1 . 30514 1 607 . 1 1 69 69 THR HG21 H 1 1.31 0.01 . 1 . . . . A 69 THR HG21 . 30514 1 608 . 1 1 69 69 THR HG22 H 1 1.31 0.01 . 1 . . . . A 69 THR HG22 . 30514 1 609 . 1 1 69 69 THR HG23 H 1 1.31 0.01 . 1 . . . . A 69 THR HG23 . 30514 1 610 . 1 1 69 69 THR C C 13 176.5 0.1 . 1 . . . . A 69 THR C . 30514 1 611 . 1 1 69 69 THR CA C 13 59.6 0.1 . 1 . . . . A 69 THR CA . 30514 1 612 . 1 1 69 69 THR CB C 13 73.1 0.1 . 1 . . . . A 69 THR CB . 30514 1 613 . 1 1 69 69 THR CG2 C 13 22.1 0.1 . 1 . . . . A 69 THR CG2 . 30514 1 614 . 1 1 70 70 LEU H H 1 9.171 0.01 . 1 . . . . A 70 LEU H . 30514 1 615 . 1 1 70 70 LEU HA H 1 4.96 0.01 . 1 . . . . A 70 LEU HA . 30514 1 616 . 1 1 70 70 LEU HB2 H 1 1.67 0.01 . 2 . . . . A 70 LEU HB2 . 30514 1 617 . 1 1 70 70 LEU HB3 H 1 1.67 0.01 . 2 . . . . A 70 LEU HB3 . 30514 1 618 . 1 1 70 70 LEU HD11 H 1 0.73 0.01 . 2 . . . . A 70 LEU HD11 . 30514 1 619 . 1 1 70 70 LEU HD12 H 1 0.73 0.01 . 2 . . . . A 70 LEU HD12 . 30514 1 620 . 1 1 70 70 LEU HD13 H 1 0.73 0.01 . 2 . . . . A 70 LEU HD13 . 30514 1 621 . 1 1 70 70 LEU HD21 H 1 0.92 0.01 . 2 . . . . A 70 LEU HD21 . 30514 1 622 . 1 1 70 70 LEU HD22 H 1 0.92 0.01 . 2 . . . . A 70 LEU HD22 . 30514 1 623 . 1 1 70 70 LEU HD23 H 1 0.92 0.01 . 2 . . . . A 70 LEU HD23 . 30514 1 624 . 1 1 70 70 LEU C C 13 179.8 0.1 . 1 . . . . A 70 LEU C . 30514 1 625 . 1 1 70 70 LEU CA C 13 58.9 0.1 . 1 . . . . A 70 LEU CA . 30514 1 626 . 1 1 70 70 LEU CB C 13 41.9 0.1 . 1 . . . . A 70 LEU CB . 30514 1 627 . 1 1 70 70 LEU CG C 13 25.7 0.1 . 1 . . . . A 70 LEU CG . 30514 1 628 . 1 1 70 70 LEU CD1 C 13 23.7 0.1 . 2 . . . . A 70 LEU CD1 . 30514 1 629 . 1 1 70 70 LEU CD2 C 13 23.7 0.1 . 2 . . . . A 70 LEU CD2 . 30514 1 630 . 1 1 71 71 GLU H H 1 8.15 0.01 . 1 . . . . A 71 GLU H . 30514 1 631 . 1 1 71 71 GLU HA H 1 4.2 0.01 . 1 . . . . A 71 GLU HA . 30514 1 632 . 1 1 71 71 GLU HB2 H 1 1.95 0.01 . 2 . . . . A 71 GLU HB2 . 30514 1 633 . 1 1 71 71 GLU HB3 H 1 1.95 0.01 . 2 . . . . A 71 GLU HB3 . 30514 1 634 . 1 1 71 71 GLU HG2 H 1 2.43 0.01 . 2 . . . . A 71 GLU HG2 . 30514 1 635 . 1 1 71 71 GLU HG3 H 1 2.43 0.01 . 2 . . . . A 71 GLU HG3 . 30514 1 636 . 1 1 71 71 GLU C C 13 176.7 0.1 . 1 . . . . A 71 GLU C . 30514 1 637 . 1 1 71 71 GLU CA C 13 58.6 0.1 . 1 . . . . A 71 GLU CA . 30514 1 638 . 1 1 71 71 GLU CB C 13 29.0 0.1 . 1 . . . . A 71 GLU CB . 30514 1 639 . 1 1 71 71 GLU CG C 13 37.4 0.1 . 1 . . . . A 71 GLU CG . 30514 1 640 . 1 1 72 72 ASP H H 1 7.74 0.01 . 1 . . . . A 72 ASP H . 30514 1 641 . 1 1 72 72 ASP HA H 1 4.50 0.01 . 1 . . . . A 72 ASP HA . 30514 1 642 . 1 1 72 72 ASP HB2 H 1 2.8 0.01 . 2 . . . . A 72 ASP HB2 . 30514 1 643 . 1 1 72 72 ASP HB3 H 1 2.8 0.01 . 2 . . . . A 72 ASP HB3 . 30514 1 644 . 1 1 72 72 ASP C C 13 174.5 0.1 . 1 . . . . A 72 ASP C . 30514 1 645 . 1 1 72 72 ASP CA C 13 55.5 0.1 . 1 . . . . A 72 ASP CA . 30514 1 646 . 1 1 72 72 ASP CB C 13 42.1 0.1 . 1 . . . . A 72 ASP CB . 30514 1 647 . 1 1 73 73 ALA H H 1 6.72 0.01 . 1 . . . . A 73 ALA H . 30514 1 648 . 1 1 73 73 ALA HA H 1 3.94 0.01 . 1 . . . . A 73 ALA HA . 30514 1 649 . 1 1 73 73 ALA HB1 H 1 1.57 0.01 . 1 . . . . A 73 ALA HB1 . 30514 1 650 . 1 1 73 73 ALA HB2 H 1 1.57 0.01 . 1 . . . . A 73 ALA HB2 . 30514 1 651 . 1 1 73 73 ALA HB3 H 1 1.57 0.01 . 1 . . . . A 73 ALA HB3 . 30514 1 652 . 1 1 73 73 ALA C C 13 177.4 0.1 . 1 . . . . A 73 ALA C . 30514 1 653 . 1 1 73 73 ALA CA C 13 53.4 0.1 . 1 . . . . A 73 ALA CA . 30514 1 654 . 1 1 73 73 ALA CB C 13 19.9 0.1 . 1 . . . . A 73 ALA CB . 30514 1 655 . 1 1 74 74 GLY H H 1 8.43 0.01 . 1 . . . . A 74 GLY H . 30514 1 656 . 1 1 74 74 GLY HA2 H 1 4.40 0.01 . 2 . . . . A 74 GLY HA2 . 30514 1 657 . 1 1 74 74 GLY HA3 H 1 4.40 0.01 . 2 . . . . A 74 GLY HA3 . 30514 1 658 . 1 1 74 74 GLY C C 13 171.7 0.1 . 1 . . . . A 74 GLY C . 30514 1 659 . 1 1 74 74 GLY CA C 13 45.1 0.1 . 1 . . . . A 74 GLY CA . 30514 1 660 . 1 1 75 75 THR H H 1 8.99 0.01 . 1 . . . . A 75 THR H . 30514 1 661 . 1 1 75 75 THR HA H 1 4.55 0.01 . 1 . . . . A 75 THR HA . 30514 1 662 . 1 1 75 75 THR HB H 1 3.96 0.01 . 1 . . . . A 75 THR HB . 30514 1 663 . 1 1 75 75 THR HG21 H 1 1.1 0.01 . 1 . . . . A 75 THR HG1 . 30514 1 664 . 1 1 75 75 THR HG22 H 1 1.1 0.01 . 1 . . . . A 75 THR HG1 . 30514 1 665 . 1 1 75 75 THR HG23 H 1 1.1 0.01 . 1 . . . . A 75 THR HG1 . 30514 1 666 . 1 1 75 75 THR C C 13 175.1 0.1 . 1 . . . . A 75 THR C . 30514 1 667 . 1 1 75 75 THR CA C 13 63.0 0.1 . 1 . . . . A 75 THR CA . 30514 1 668 . 1 1 75 75 THR CB C 13 70.0 0.1 . 1 . . . . A 75 THR CB . 30514 1 669 . 1 1 75 75 THR CG2 C 13 22.8 0.1 . 1 . . . . A 75 THR CG2 . 30514 1 670 . 1 1 76 76 VAL H H 1 9.65 0.01 . 1 . . . . A 76 VAL H . 30514 1 671 . 1 1 76 76 VAL HA H 1 4.72 0.01 . 1 . . . . A 76 VAL HA . 30514 1 672 . 1 1 76 76 VAL HB H 1 1.88 0.01 . 1 . . . . A 76 VAL HB . 30514 1 673 . 1 1 76 76 VAL HG11 H 1 1.12 0.01 . 2 . . . . A 76 VAL HG11 . 30514 1 674 . 1 1 76 76 VAL HG12 H 1 1.12 0.01 . 2 . . . . A 76 VAL HG12 . 30514 1 675 . 1 1 76 76 VAL HG13 H 1 1.12 0.01 . 2 . . . . A 76 VAL HG13 . 30514 1 676 . 1 1 76 76 VAL HG21 H 1 1.19 0.01 . 2 . . . . A 76 VAL HG21 . 30514 1 677 . 1 1 76 76 VAL HG22 H 1 1.19 0.01 . 2 . . . . A 76 VAL HG22 . 30514 1 678 . 1 1 76 76 VAL HG23 H 1 1.19 0.01 . 2 . . . . A 76 VAL HG23 . 30514 1 679 . 1 1 76 76 VAL C C 13 173.7 0.1 . 1 . . . . A 76 VAL C . 30514 1 680 . 1 1 76 76 VAL CA C 13 61.8 0.1 . 1 . . . . A 76 VAL CA . 30514 1 681 . 1 1 76 76 VAL CB C 13 32.9 0.1 . 1 . . . . A 76 VAL CB . 30514 1 682 . 1 1 76 76 VAL CG1 C 13 20.7 0.1 . 2 . . . . A 76 VAL CG1 . 30514 1 683 . 1 1 76 76 VAL CG2 C 13 20.7 0.1 . 2 . . . . A 76 VAL CG2 . 30514 1 684 . 1 1 77 77 SER H H 1 9.36 0.01 . 1 . . . . A 77 SER H . 30514 1 685 . 1 1 77 77 SER HA H 1 5.37 0.01 . 1 . . . . A 77 SER HA . 30514 1 686 . 1 1 77 77 SER HB2 H 1 5.37 0.01 . 2 . . . . A 77 SER HB2 . 30514 1 687 . 1 1 77 77 SER HB3 H 1 5.37 0.01 . 2 . . . . A 77 SER HB3 . 30514 1 688 . 1 1 77 77 SER C C 13 171.1 0.1 . 1 . . . . A 77 SER C . 30514 1 689 . 1 1 77 77 SER CA C 13 56.2 0.1 . 1 . . . . A 77 SER CA . 30514 1 690 . 1 1 77 77 SER CB C 13 67.5 0.1 . 1 . . . . A 77 SER CB . 30514 1 691 . 1 1 78 78 PHE H H 1 7.88 0.01 . 1 . . . . A 78 PHE H . 30514 1 692 . 1 1 78 78 PHE HA H 1 4.7 0.01 . 1 . . . . A 78 PHE HA . 30514 1 693 . 1 1 78 78 PHE HB2 H 1 2.1 0.01 . 2 . . . . A 78 PHE HB2 . 30514 1 694 . 1 1 78 78 PHE HB3 H 1 2.1 0.01 . 2 . . . . A 78 PHE HB3 . 30514 1 695 . 1 1 78 78 PHE CA C 13 56.1 0.1 . 1 . . . . A 78 PHE CA . 30514 1 696 . 1 1 78 78 PHE CB C 13 43.3 0.1 . 1 . . . . A 78 PHE CB . 30514 1 697 . 1 1 79 79 HIS H H 1 7.80 0.01 . 1 . . . . A 79 HIS H . 30514 1 698 . 1 1 79 79 HIS HA H 1 4.62 0.01 . 1 . . . . A 79 HIS HA . 30514 1 699 . 1 1 79 79 HIS HB2 H 1 2.82 0.01 . 2 . . . . A 79 HIS HB2 . 30514 1 700 . 1 1 79 79 HIS HB3 H 1 2.82 0.01 . 2 . . . . A 79 HIS HB3 . 30514 1 701 . 1 1 79 79 HIS C C 13 174.0 0.1 . 1 . . . . A 79 HIS C . 30514 1 702 . 1 1 79 79 HIS CA C 13 54.8 0.1 . 1 . . . . A 79 HIS CA . 30514 1 703 . 1 1 79 79 HIS CB C 13 33.5 0.1 . 1 . . . . A 79 HIS CB . 30514 1 704 . 1 1 80 80 VAL H H 1 7.82 0.01 . 1 . . . . A 80 VAL H . 30514 1 705 . 1 1 80 80 VAL HA H 1 4.04 0.01 . 1 . . . . A 80 VAL HA . 30514 1 706 . 1 1 80 80 VAL HB H 1 1.57 0.01 . 1 . . . . A 80 VAL HB . 30514 1 707 . 1 1 80 80 VAL HG11 H 1 0.76 0.01 . 2 . . . . A 80 VAL HG11 . 30514 1 708 . 1 1 80 80 VAL HG12 H 1 0.76 0.01 . 2 . . . . A 80 VAL HG12 . 30514 1 709 . 1 1 80 80 VAL HG13 H 1 0.76 0.01 . 2 . . . . A 80 VAL HG13 . 30514 1 710 . 1 1 80 80 VAL HG21 H 1 0.76 0.01 . 2 . . . . A 80 VAL HG21 . 30514 1 711 . 1 1 80 80 VAL HG22 H 1 0.76 0.01 . 2 . . . . A 80 VAL HG22 . 30514 1 712 . 1 1 80 80 VAL HG23 H 1 0.76 0.01 . 2 . . . . A 80 VAL HG23 . 30514 1 713 . 1 1 80 80 VAL C C 13 174.7 0.1 . 1 . . . . A 80 VAL C . 30514 1 714 . 1 1 80 80 VAL CA C 13 60.8 0.1 . 1 . . . . A 80 VAL CA . 30514 1 715 . 1 1 80 80 VAL CB C 13 32.9 0.1 . 1 . . . . A 80 VAL CB . 30514 1 716 . 1 1 80 80 VAL CG1 C 13 21.2 0.1 . 2 . . . . A 80 VAL CG1 . 30514 1 717 . 1 1 80 80 VAL CG2 C 13 21.2 0.1 . 2 . . . . A 80 VAL CG2 . 30514 1 718 . 1 1 81 81 GLY H H 1 9.07 0.01 . 1 . . . . A 81 GLY H . 30514 1 719 . 1 1 81 81 GLY HA2 H 1 4.1 0.01 . 2 . . . . A 81 GLY HA2 . 30514 1 720 . 1 1 81 81 GLY HA3 H 1 4.1 0.01 . 2 . . . . A 81 GLY HA3 . 30514 1 721 . 1 1 81 81 GLY C C 13 176.2 0.1 . 1 . . . . A 81 GLY C . 30514 1 722 . 1 1 81 81 GLY CA C 13 47.1 0.1 . 1 . . . . A 81 GLY CA . 30514 1 723 . 1 1 82 82 THR H H 1 8.07 0.01 . 1 . . . . A 82 THR H . 30514 1 724 . 1 1 82 82 THR HA H 1 4.49 0.01 . 1 . . . . A 82 THR HA . 30514 1 725 . 1 1 82 82 THR HB H 1 4.22 0.01 . 1 . . . . A 82 THR HB . 30514 1 726 . 1 1 82 82 THR HG21 H 1 1.19 0.01 . 1 . . . . A 82 THR HG1 . 30514 1 727 . 1 1 82 82 THR HG22 H 1 1.19 0.01 . 1 . . . . A 82 THR HG1 . 30514 1 728 . 1 1 82 82 THR HG23 H 1 1.19 0.01 . 1 . . . . A 82 THR HG1 . 30514 1 729 . 1 1 82 82 THR CA C 13 62.3 0.1 . 1 . . . . A 82 THR CA . 30514 1 730 . 1 1 82 82 THR CB C 13 70.0 0.1 . 1 . . . . A 82 THR CB . 30514 1 731 . 1 1 82 82 THR CG2 C 13 22.0 0.1 . 1 . . . . A 82 THR CG2 . 30514 1 732 . 1 1 83 83 CYS H H 1 8.44 0.01 . 1 . . . . A 83 CYS H . 30514 1 733 . 1 1 83 83 CYS HA H 1 4.72 0.01 . 1 . . . . A 83 CYS HA . 30514 1 734 . 1 1 83 83 CYS HB2 H 1 3.1 0.01 . 2 . . . . A 83 CYS HB2 . 30514 1 735 . 1 1 83 83 CYS HB3 H 1 3.1 0.01 . 2 . . . . A 83 CYS HB3 . 30514 1 736 . 1 1 83 83 CYS C C 13 177.6 0.1 . 1 . . . . A 83 CYS C . 30514 1 737 . 1 1 83 83 CYS CA C 13 55.5 0.1 . 1 . . . . A 83 CYS CA . 30514 1 738 . 1 1 83 83 CYS CB C 13 29.7 0.1 . 1 . . . . A 83 CYS CB . 30514 1 739 . 1 1 84 84 SER H H 1 8.53 0.01 . 1 . . . . A 84 SER H . 30514 1 740 . 1 1 84 84 SER HA H 1 5.28 0.01 . 1 . . . . A 84 SER HA . 30514 1 741 . 1 1 84 84 SER HB2 H 1 3.27 0.01 . 2 . . . . A 84 SER HB2 . 30514 1 742 . 1 1 84 84 SER HB3 H 1 3.27 0.01 . 2 . . . . A 84 SER HB3 . 30514 1 743 . 1 1 84 84 SER C C 13 172.7 0.1 . 1 . . . . A 84 SER C . 30514 1 744 . 1 1 84 84 SER CA C 13 57.1 0.1 . 1 . . . . A 84 SER CA . 30514 1 745 . 1 1 84 84 SER CB C 13 66.5 0.1 . 1 . . . . A 84 SER CB . 30514 1 746 . 1 1 85 85 SER H H 1 8.79 0.01 . 1 . . . . A 85 SER H . 30514 1 747 . 1 1 85 85 SER HA H 1 4.66 0.01 . 1 . . . . A 85 SER HA . 30514 1 748 . 1 1 85 85 SER HB2 H 1 4.0 0.01 . 2 . . . . A 85 SER HB2 . 30514 1 749 . 1 1 85 85 SER HB3 H 1 4.0 0.01 . 2 . . . . A 85 SER HB3 . 30514 1 750 . 1 1 85 85 SER C C 13 172.0 0.1 . 1 . . . . A 85 SER C . 30514 1 751 . 1 1 85 85 SER CA C 13 57.1 0.1 . 1 . . . . A 85 SER CA . 30514 1 752 . 1 1 85 85 SER CB C 13 66.3 0.1 . 1 . . . . A 85 SER CB . 30514 1 753 . 1 1 86 86 GLU H H 1 8.14 0.01 . 1 . . . . A 86 GLU H . 30514 1 754 . 1 1 86 86 GLU HA H 1 5.57 0.01 . 1 . . . . A 86 GLU HA . 30514 1 755 . 1 1 86 86 GLU HB2 H 1 2.06 0.01 . 2 . . . . A 86 GLU HB2 . 30514 1 756 . 1 1 86 86 GLU HB3 H 1 2.06 0.01 . 2 . . . . A 86 GLU HB3 . 30514 1 757 . 1 1 86 86 GLU HG2 H 1 2.28 0.01 . 2 . . . . A 86 GLU HG2 . 30514 1 758 . 1 1 86 86 GLU HG3 H 1 2.28 0.01 . 2 . . . . A 86 GLU HG3 . 30514 1 759 . 1 1 86 86 GLU C C 13 174.7 0.1 . 1 . . . . A 86 GLU C . 30514 1 760 . 1 1 86 86 GLU CA C 13 54.9 0.1 . 1 . . . . A 86 GLU CA . 30514 1 761 . 1 1 86 86 GLU CB C 13 34.1 0.1 . 1 . . . . A 86 GLU CB . 30514 1 762 . 1 1 86 86 GLU CG C 13 36.3 0.1 . 1 . . . . A 86 GLU CG . 30514 1 763 . 1 1 87 87 ALA H H 1 9.30 0.01 . 1 . . . . A 87 ALA H . 30514 1 764 . 1 1 87 87 ALA HA H 1 4.72 0.01 . 1 . . . . A 87 ALA HA . 30514 1 765 . 1 1 87 87 ALA HB1 H 1 1.5 0.01 . 1 . . . . A 87 ALA HB1 . 30514 1 766 . 1 1 87 87 ALA HB2 H 1 1.5 0.01 . 1 . . . . A 87 ALA HB2 . 30514 1 767 . 1 1 87 87 ALA HB3 H 1 1.5 0.01 . 1 . . . . A 87 ALA HB3 . 30514 1 768 . 1 1 87 87 ALA C C 13 174.7 0.1 . 1 . . . . A 87 ALA C . 30514 1 769 . 1 1 87 87 ALA CA C 13 51.6 0.1 . 1 . . . . A 87 ALA CA . 30514 1 770 . 1 1 87 87 ALA CB C 13 23.4 0.1 . 1 . . . . A 87 ALA CB . 30514 1 771 . 1 1 88 88 GLN H H 1 9.25 0.01 . 1 . . . . A 88 GLN H . 30514 1 772 . 1 1 88 88 GLN HA H 1 4.69 0.01 . 1 . . . . A 88 GLN HA . 30514 1 773 . 1 1 88 88 GLN HB2 H 1 1.83 0.01 . 2 . . . . A 88 GLN HB2 . 30514 1 774 . 1 1 88 88 GLN HB3 H 1 1.83 0.01 . 2 . . . . A 88 GLN HB3 . 30514 1 775 . 1 1 88 88 GLN HG2 H 1 2.36 0.01 . 2 . . . . A 88 GLN HG2 . 30514 1 776 . 1 1 88 88 GLN HG3 H 1 2.36 0.01 . 2 . . . . A 88 GLN HG3 . 30514 1 777 . 1 1 88 88 GLN C C 13 174.6 0.1 . 1 . . . . A 88 GLN C . 30514 1 778 . 1 1 88 88 GLN CA C 13 54.7 0.1 . 1 . . . . A 88 GLN CA . 30514 1 779 . 1 1 88 88 GLN CB C 13 31.0 0.1 . 1 . . . . A 88 GLN CB . 30514 1 780 . 1 1 88 88 GLN CG C 13 33.9 0.1 . 1 . . . . A 88 GLN CG . 30514 1 781 . 1 1 89 89 LEU H H 1 8.99 0.01 . 1 . . . . A 89 LEU H . 30514 1 782 . 1 1 89 89 LEU HA H 1 5.18 0.01 . 1 . . . . A 89 LEU HA . 30514 1 783 . 1 1 89 89 LEU HB2 H 1 1.35 0.01 . 2 . . . . A 89 LEU HB2 . 30514 1 784 . 1 1 89 89 LEU HB3 H 1 1.35 0.01 . 2 . . . . A 89 LEU HB3 . 30514 1 785 . 1 1 89 89 LEU HD11 H 1 0.88 0.01 . 2 . . . . A 89 LEU HD11 . 30514 1 786 . 1 1 89 89 LEU HD12 H 1 0.88 0.01 . 2 . . . . A 89 LEU HD12 . 30514 1 787 . 1 1 89 89 LEU HD13 H 1 0.88 0.01 . 2 . . . . A 89 LEU HD13 . 30514 1 788 . 1 1 89 89 LEU HD21 H 1 0.88 0.01 . 2 . . . . A 89 LEU HD21 . 30514 1 789 . 1 1 89 89 LEU HD22 H 1 0.88 0.01 . 2 . . . . A 89 LEU HD22 . 30514 1 790 . 1 1 89 89 LEU HD23 H 1 0.88 0.01 . 2 . . . . A 89 LEU HD23 . 30514 1 791 . 1 1 89 89 LEU C C 13 175.6 0.1 . 1 . . . . A 89 LEU C . 30514 1 792 . 1 1 89 89 LEU CA C 13 54.1 0.1 . 1 . . . . A 89 LEU CA . 30514 1 793 . 1 1 89 89 LEU CB C 13 43.3 0.1 . 1 . . . . A 89 LEU CB . 30514 1 794 . 1 1 89 89 LEU CG C 13 26.8 0.1 . 1 . . . . A 89 LEU CG . 30514 1 795 . 1 1 89 89 LEU CD1 C 13 25.2 0.1 . 2 . . . . A 89 LEU CD1 . 30514 1 796 . 1 1 89 89 LEU CD2 C 13 25.2 0.1 . 2 . . . . A 89 LEU CD2 . 30514 1 797 . 1 1 90 90 LYS H H 1 9.25 0.01 . 1 . . . . A 90 LYS H . 30514 1 798 . 1 1 90 90 LYS HA H 1 4.7 0.01 . 1 . . . . A 90 LYS HA . 30514 1 799 . 1 1 90 90 LYS HB2 H 1 1.77 0.01 . 2 . . . . A 90 LYS HB2 . 30514 1 800 . 1 1 90 90 LYS HB3 H 1 1.77 0.01 . 2 . . . . A 90 LYS HB3 . 30514 1 801 . 1 1 90 90 LYS HG2 H 1 1.37 0.01 . 2 . . . . A 90 LYS HG2 . 30514 1 802 . 1 1 90 90 LYS HG3 H 1 1.37 0.01 . 2 . . . . A 90 LYS HG3 . 30514 1 803 . 1 1 90 90 LYS HD2 H 1 1.58 0.01 . 2 . . . . A 90 LYS HD2 . 30514 1 804 . 1 1 90 90 LYS HD3 H 1 1.58 0.01 . 2 . . . . A 90 LYS HD3 . 30514 1 805 . 1 1 90 90 LYS HE2 H 1 2.89 0.01 . 2 . . . . A 90 LYS HE2 . 30514 1 806 . 1 1 90 90 LYS HE3 H 1 2.89 0.01 . 2 . . . . A 90 LYS HE3 . 30514 1 807 . 1 1 90 90 LYS C C 13 174.0 0.1 . 1 . . . . A 90 LYS C . 30514 1 808 . 1 1 90 90 LYS CA C 13 55.6 0.1 . 1 . . . . A 90 LYS CA . 30514 1 809 . 1 1 90 90 LYS CB C 13 34.4 0.1 . 1 . . . . A 90 LYS CB . 30514 1 810 . 1 1 90 90 LYS CG C 13 25.7 0.1 . 1 . . . . A 90 LYS CG . 30514 1 811 . 1 1 90 90 LYS CD C 13 29.7 0.1 . 1 . . . . A 90 LYS CD . 30514 1 812 . 1 1 90 90 LYS CE C 13 43.0 0.1 . 1 . . . . A 90 LYS CE . 30514 1 813 . 1 1 91 91 VAL H H 1 7.69 0.01 . 1 . . . . A 91 VAL H . 30514 1 814 . 1 1 91 91 VAL HA H 1 5.02 0.01 . 1 . . . . A 91 VAL HA . 30514 1 815 . 1 1 91 91 VAL HB H 1 1.86 0.01 . 1 . . . . A 91 VAL HB . 30514 1 816 . 1 1 91 91 VAL HG11 H 1 0.65 0.01 . 2 . . . . A 91 VAL HG11 . 30514 1 817 . 1 1 91 91 VAL HG12 H 1 0.65 0.01 . 2 . . . . A 91 VAL HG12 . 30514 1 818 . 1 1 91 91 VAL HG13 H 1 0.65 0.01 . 2 . . . . A 91 VAL HG13 . 30514 1 819 . 1 1 91 91 VAL HG21 H 1 0.75 0.01 . 2 . . . . A 91 VAL HG21 . 30514 1 820 . 1 1 91 91 VAL HG22 H 1 0.75 0.01 . 2 . . . . A 91 VAL HG22 . 30514 1 821 . 1 1 91 91 VAL HG23 H 1 0.75 0.01 . 2 . . . . A 91 VAL HG23 . 30514 1 822 . 1 1 91 91 VAL C C 13 175.5 0.1 . 1 . . . . A 91 VAL C . 30514 1 823 . 1 1 91 91 VAL CA C 13 60.6 0.1 . 1 . . . . A 91 VAL CA . 30514 1 824 . 1 1 91 91 VAL CB C 13 34.6 0.1 . 1 . . . . A 91 VAL CB . 30514 1 825 . 1 1 91 91 VAL CG1 C 13 21.7 0.1 . 2 . . . . A 91 VAL CG1 . 30514 1 826 . 1 1 91 91 VAL CG2 C 13 21.7 0.1 . 2 . . . . A 91 VAL CG2 . 30514 1 827 . 1 1 92 92 THR H H 1 8.99 0.01 . 1 . . . . A 92 THR H . 30514 1 828 . 1 1 92 92 THR HA H 1 4.52 0.01 . 1 . . . . A 92 THR HA . 30514 1 829 . 1 1 92 92 THR HB H 1 4.22 0.01 . 1 . . . . A 92 THR HB . 30514 1 830 . 1 1 92 92 THR HG21 H 1 1.2 0.01 . 1 . . . . A 92 THR HG1 . 30514 1 831 . 1 1 92 92 THR HG22 H 1 1.2 0.01 . 1 . . . . A 92 THR HG1 . 30514 1 832 . 1 1 92 92 THR HG23 H 1 1.2 0.01 . 1 . . . . A 92 THR HG1 . 30514 1 833 . 1 1 92 92 THR C C 13 173.6 0.1 . 1 . . . . A 92 THR C . 30514 1 834 . 1 1 92 92 THR CA C 13 60.7 0.1 . 1 . . . . A 92 THR CA . 30514 1 835 . 1 1 92 92 THR CB C 13 70.5 0.1 . 1 . . . . A 92 THR CB . 30514 1 836 . 1 1 92 92 THR CG2 C 13 21.9 0.1 . 1 . . . . A 92 THR CG2 . 30514 1 837 . 1 1 93 93 ALA H H 1 8.66 0.01 . 1 . . . . A 93 ALA H . 30514 1 838 . 1 1 93 93 ALA HA H 1 4.38 0.01 . 1 . . . . A 93 ALA HA . 30514 1 839 . 1 1 93 93 ALA HB1 H 1 1.45 0.01 . 1 . . . . A 93 ALA HB1 . 30514 1 840 . 1 1 93 93 ALA HB2 H 1 1.45 0.01 . 1 . . . . A 93 ALA HB2 . 30514 1 841 . 1 1 93 93 ALA HB3 H 1 1.45 0.01 . 1 . . . . A 93 ALA HB3 . 30514 1 842 . 1 1 93 93 ALA C C 13 178.7 0.1 . 1 . . . . A 93 ALA C . 30514 1 843 . 1 1 93 93 ALA CA C 13 52.7 0.1 . 1 . . . . A 93 ALA CA . 30514 1 844 . 1 1 93 93 ALA CB C 13 19.6 0.1 . 1 . . . . A 93 ALA CB . 30514 1 845 . 1 1 94 94 GLY H H 1 9.41 0.01 . 1 . . . . A 94 GLY H . 30514 1 846 . 1 1 94 94 GLY HA2 H 1 3.94 0.01 . 2 . . . . A 94 GLY HA2 . 30514 1 847 . 1 1 94 94 GLY HA3 H 1 4.07 0.01 . 2 . . . . A 94 GLY HA3 . 30514 1 848 . 1 1 94 94 GLY C C 13 173.9 0.1 . 1 . . . . A 94 GLY C . 30514 1 849 . 1 1 94 94 GLY CA C 13 45.3 0.1 . 1 . . . . A 94 GLY CA . 30514 1 stop_ save_