data_19449 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19449 _Entry.Title ; NMR structure of a BolA-like hypothetical protein RP812 from RICKETTSIA PROWAZEKII, SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (SSGCID) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-08-22 _Entry.Accession_date 2013-08-22 _Entry.Last_release_date 2013-10-08 _Entry.Original_release_date 2013-10-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yu Chen . . . 19449 2 RAVI BARNWAL . . . 19449 3 Fan Yang . . . 19449 4 Gabriele Varani . . . 19449 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Seattle Structural Genomics Center for Infectious Disease' . 19449 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID protein . 19449 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19449 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 320 19449 '15N chemical shifts' 80 19449 '1H chemical shifts' 509 19449 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 . . 2013-10-08 2013-08-22 original author . 19449 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 19449 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; NMR structure of a BolA-like hypothetical protein RP812 from RICKETTSIA PROWAZEKII, SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (SSGCID) ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be Published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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.Entry_ID _Citation_author.Citation_ID 1 Yu Chen . . . 19449 1 2 Ravi BARNWAL . . . 19449 1 3 Fan Yang . . . 19449 1 4 Gabriele Varani . . . 19449 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19449 _Assembly.ID 1 _Assembly.Name 'BolA-like hypothetical protein RP812' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'BolA-like hypothetical protein RP812' 1 $entity A . yes native no no . . . 19449 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19449 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; MAISAEELEKILKKSFPSSV IKITDLVGDQDHYALEISDA QFNGLSLINQHKLVKNALSE ILNKKLHSISIKTIS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 75 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8541.002 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MCQ . "Nmr Structure Of A Bola-like Hypothetical Protein Rp812 From Rickettsia Prowazekii, Seattle Structural Genomics Center For Infe" . . . . . 100.00 77 100.00 100.00 6.13e-43 . . . . 19449 1 2 no EMBL CAA15238 . "unknown [Rickettsia prowazekii str. Madrid E]" . . . . . 100.00 77 100.00 100.00 6.13e-43 . . . . 19449 1 3 no GB ADE30378 . "BolA-like protein [Rickettsia prowazekii str. Rp22]" . . . . . 100.00 77 100.00 100.00 6.13e-43 . . . . 19449 1 4 no GB AFE49607 . "hypothetical protein M9W_03935 [Rickettsia prowazekii str. Chernikova]" . . . . . 100.00 77 100.00 100.00 6.13e-43 . . . . 19449 1 5 no GB AFE50451 . "hypothetical protein M9Y_03940 [Rickettsia prowazekii str. Katsinyian]" . . . . . 100.00 77 100.00 100.00 6.13e-43 . . . . 19449 1 6 no GB AFE51295 . "hypothetical protein MA1_03930 [Rickettsia prowazekii str. BuV67-CWPP]" . . . . . 100.00 77 100.00 100.00 6.13e-43 . . . . 19449 1 7 no GB AFE52133 . "hypothetical protein MA3_03975 [Rickettsia prowazekii str. Dachau]" . . . . . 100.00 77 100.00 100.00 6.13e-43 . . . . 19449 1 8 no REF NP_221162 . "hypothetical protein RP812 [Rickettsia prowazekii str. Madrid E]" . . . . . 100.00 77 100.00 100.00 6.13e-43 . . . . 19449 1 9 no REF WP_004596876 . "ATP-binding protein [Rickettsia prowazekii]" . . . . . 100.00 77 100.00 100.00 6.13e-43 . . . . 19449 1 10 no SP Q9ZCE4 . "RecName: Full=Uncharacterized protein RP812 [Rickettsia prowazekii str. Madrid E]" . . . . . 100.00 77 100.00 100.00 6.13e-43 . . . . 19449 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 . 19449 1 2 . ALA . 19449 1 3 . ILE . 19449 1 4 . SER . 19449 1 5 . ALA . 19449 1 6 . GLU . 19449 1 7 . GLU . 19449 1 8 . LEU . 19449 1 9 . GLU . 19449 1 10 . LYS . 19449 1 11 . ILE . 19449 1 12 . LEU . 19449 1 13 . LYS . 19449 1 14 . LYS . 19449 1 15 . SER . 19449 1 16 . PHE . 19449 1 17 . PRO . 19449 1 18 . SER . 19449 1 19 . SER . 19449 1 20 . VAL . 19449 1 21 . ILE . 19449 1 22 . LYS . 19449 1 23 . ILE . 19449 1 24 . THR . 19449 1 25 . ASP . 19449 1 26 . LEU . 19449 1 27 . VAL . 19449 1 28 . GLY . 19449 1 29 . ASP . 19449 1 30 . GLN . 19449 1 31 . ASP . 19449 1 32 . HIS . 19449 1 33 . TYR . 19449 1 34 . ALA . 19449 1 35 . LEU . 19449 1 36 . GLU . 19449 1 37 . ILE . 19449 1 38 . SER . 19449 1 39 . ASP . 19449 1 40 . ALA . 19449 1 41 . GLN . 19449 1 42 . PHE . 19449 1 43 . ASN . 19449 1 44 . GLY . 19449 1 45 . LEU . 19449 1 46 . SER . 19449 1 47 . LEU . 19449 1 48 . ILE . 19449 1 49 . ASN . 19449 1 50 . GLN . 19449 1 51 . HIS . 19449 1 52 . LYS . 19449 1 53 . LEU . 19449 1 54 . VAL . 19449 1 55 . LYS . 19449 1 56 . ASN . 19449 1 57 . ALA . 19449 1 58 . LEU . 19449 1 59 . SER . 19449 1 60 . GLU . 19449 1 61 . ILE . 19449 1 62 . LEU . 19449 1 63 . ASN . 19449 1 64 . LYS . 19449 1 65 . LYS . 19449 1 66 . LEU . 19449 1 67 . HIS . 19449 1 68 . SER . 19449 1 69 . ILE . 19449 1 70 . SER . 19449 1 71 . ILE . 19449 1 72 . LYS . 19449 1 73 . THR . 19449 1 74 . ILE . 19449 1 75 . SER . 19449 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 19449 1 . ALA 2 2 19449 1 . ILE 3 3 19449 1 . SER 4 4 19449 1 . ALA 5 5 19449 1 . GLU 6 6 19449 1 . GLU 7 7 19449 1 . LEU 8 8 19449 1 . GLU 9 9 19449 1 . LYS 10 10 19449 1 . ILE 11 11 19449 1 . LEU 12 12 19449 1 . LYS 13 13 19449 1 . LYS 14 14 19449 1 . SER 15 15 19449 1 . PHE 16 16 19449 1 . PRO 17 17 19449 1 . SER 18 18 19449 1 . SER 19 19 19449 1 . VAL 20 20 19449 1 . ILE 21 21 19449 1 . LYS 22 22 19449 1 . ILE 23 23 19449 1 . THR 24 24 19449 1 . ASP 25 25 19449 1 . LEU 26 26 19449 1 . VAL 27 27 19449 1 . GLY 28 28 19449 1 . ASP 29 29 19449 1 . GLN 30 30 19449 1 . ASP 31 31 19449 1 . HIS 32 32 19449 1 . TYR 33 33 19449 1 . ALA 34 34 19449 1 . LEU 35 35 19449 1 . GLU 36 36 19449 1 . ILE 37 37 19449 1 . SER 38 38 19449 1 . ASP 39 39 19449 1 . ALA 40 40 19449 1 . GLN 41 41 19449 1 . PHE 42 42 19449 1 . ASN 43 43 19449 1 . GLY 44 44 19449 1 . LEU 45 45 19449 1 . SER 46 46 19449 1 . LEU 47 47 19449 1 . ILE 48 48 19449 1 . ASN 49 49 19449 1 . GLN 50 50 19449 1 . HIS 51 51 19449 1 . LYS 52 52 19449 1 . LEU 53 53 19449 1 . VAL 54 54 19449 1 . LYS 55 55 19449 1 . ASN 56 56 19449 1 . ALA 57 57 19449 1 . LEU 58 58 19449 1 . SER 59 59 19449 1 . GLU 60 60 19449 1 . ILE 61 61 19449 1 . LEU 62 62 19449 1 . ASN 63 63 19449 1 . LYS 64 64 19449 1 . LYS 65 65 19449 1 . LEU 66 66 19449 1 . HIS 67 67 19449 1 . SER 68 68 19449 1 . ILE 69 69 19449 1 . SER 70 70 19449 1 . ILE 71 71 19449 1 . LYS 72 72 19449 1 . THR 73 73 19449 1 . ILE 74 74 19449 1 . SER 75 75 19449 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 19449 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 782 organism . 'Rickettsia prowazekii' a-proteobacteria . . Bacteria Proteobacteria Rickettsia prowazekii . . . . . . . . . . . . . . . . RP812 . . . . 19449 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 19449 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28a . . . . . . 19449 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19449 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'BolA-like hypothetical protein RP812' '[U-98% 13C; U-98% 15N]' . . 1 $entity . . 1.5 . . mM . . . . 19449 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19449 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19449 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 19449 _Sample_condition_list.ID 1 _Sample_condition_list.Details '100mM NaCl, 25mM phosphate buffer (pH6.0), 0.1mM EDTA, 2mM DTT' 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 19449 1 pH 6.0 . pH 19449 1 pressure 1 . atm 19449 1 temperature 298 . K 19449 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19449 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19449 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19449 1 processing 19449 1 stop_ save_ save_ccpnmr _Software.Sf_category software _Software.Sf_framecode ccpnmr _Software.Entry_ID 19449 _Software.ID 2 _Software.Name CcpNMR _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 19449 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19449 2 'peak picking' 19449 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19449 _Software.ID 3 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19449 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19449 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19449 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19449 _NMR_spectrometer.ID 2 _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 19449 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AMX . 500 . . . 19449 1 2 spectrometer_2 Bruker Avance . 600 . . . 19449 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 19449 _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 . . . . . . . . . . . . . . . . . . . . . 19449 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19449 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19449 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19449 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19449 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19449 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19449 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19449 1 9 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19449 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19449 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 19449 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19449 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19449 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19449 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 19449 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19449 1 2 '2D 1H-13C HSQC' . . . 19449 1 3 '3D CBCA(CO)NH' . . . 19449 1 4 '3D HNCACB' . . . 19449 1 5 '3D HNCO' . . . 19449 1 6 '3D HBHA(CO)NH' . . . 19449 1 7 '3D 1H-15N NOESY' . . . 19449 1 8 '3D 1H-13C NOESY' . . . 19449 1 9 '3D HNHA' . . . 19449 1 10 '3D HCCH-TOCSY' . . . 19449 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.434 0.020 . . . . . A 1 MET HA . 19449 1 2 . 1 1 1 1 MET HB2 H 1 1.917 0.020 . . . . . A 1 MET HB2 . 19449 1 3 . 1 1 1 1 MET HB3 H 1 2.042 0.020 . . . . . A 1 MET HB3 . 19449 1 4 . 1 1 1 1 MET HG2 H 1 2.512 0.020 . . . . . A 1 MET HG2 . 19449 1 5 . 1 1 1 1 MET HG3 H 1 2.435 0.020 . . . . . A 1 MET HG3 . 19449 1 6 . 1 1 1 1 MET C C 13 175.218 0.400 . . . . . A 1 MET C . 19449 1 7 . 1 1 1 1 MET CA C 13 55.283 0.400 . . . . . A 1 MET CA . 19449 1 8 . 1 1 1 1 MET CB C 13 32.852 0.400 . . . . . A 1 MET CB . 19449 1 9 . 1 1 1 1 MET CG C 13 29.727 0.400 . . . . . A 1 MET CG . 19449 1 10 . 1 1 1 1 MET N N 15 122.197 0.400 . . . . . A 1 MET N . 19449 1 11 . 1 1 2 2 ALA H H 1 7.998 0.020 . . . . . A 2 ALA H . 19449 1 12 . 1 1 2 2 ALA HA H 1 4.434 0.020 . . . . . A 2 ALA HA . 19449 1 13 . 1 1 2 2 ALA HB1 H 1 1.325 0.020 . . . . . A 2 ALA HB1 . 19449 1 14 . 1 1 2 2 ALA HB2 H 1 1.325 0.020 . . . . . A 2 ALA HB2 . 19449 1 15 . 1 1 2 2 ALA HB3 H 1 1.325 0.020 . . . . . A 2 ALA HB3 . 19449 1 16 . 1 1 2 2 ALA C C 13 177.129 0.400 . . . . . A 2 ALA C . 19449 1 17 . 1 1 2 2 ALA CA C 13 52.125 0.400 . . . . . A 2 ALA CA . 19449 1 18 . 1 1 2 2 ALA CB C 13 20.239 0.400 . . . . . A 2 ALA CB . 19449 1 19 . 1 1 2 2 ALA N N 15 124.143 0.400 . . . . . A 2 ALA N . 19449 1 20 . 1 1 3 3 ILE H H 1 8.659 0.020 . . . . . A 3 ILE H . 19449 1 21 . 1 1 3 3 ILE HA H 1 4.344 0.020 . . . . . A 3 ILE HA . 19449 1 22 . 1 1 3 3 ILE HB H 1 1.703 0.020 . . . . . A 3 ILE HB . 19449 1 23 . 1 1 3 3 ILE HG12 H 1 1.431 0.020 . . . . . A 3 ILE HG12 . 19449 1 24 . 1 1 3 3 ILE HG13 H 1 1.259 0.020 . . . . . A 3 ILE HG13 . 19449 1 25 . 1 1 3 3 ILE HG21 H 1 0.783 0.020 . . . . . A 3 ILE HG21 . 19449 1 26 . 1 1 3 3 ILE HG22 H 1 0.783 0.020 . . . . . A 3 ILE HG22 . 19449 1 27 . 1 1 3 3 ILE HG23 H 1 0.783 0.020 . . . . . A 3 ILE HG23 . 19449 1 28 . 1 1 3 3 ILE HD11 H 1 0.664 0.020 . . . . . A 3 ILE HD11 . 19449 1 29 . 1 1 3 3 ILE HD12 H 1 0.664 0.020 . . . . . A 3 ILE HD12 . 19449 1 30 . 1 1 3 3 ILE HD13 H 1 0.664 0.020 . . . . . A 3 ILE HD13 . 19449 1 31 . 1 1 3 3 ILE C C 13 173.994 0.400 . . . . . A 3 ILE C . 19449 1 32 . 1 1 3 3 ILE CA C 13 59.558 0.400 . . . . . A 3 ILE CA . 19449 1 33 . 1 1 3 3 ILE CB C 13 39.826 0.400 . . . . . A 3 ILE CB . 19449 1 34 . 1 1 3 3 ILE CG1 C 13 28.132 0.400 . . . . . A 3 ILE CG1 . 19449 1 35 . 1 1 3 3 ILE CG2 C 13 17.009 0.400 . . . . . A 3 ILE CG2 . 19449 1 36 . 1 1 3 3 ILE CD1 C 13 13.742 0.400 . . . . . A 3 ILE CD1 . 19449 1 37 . 1 1 3 3 ILE N N 15 120.462 0.400 . . . . . A 3 ILE N . 19449 1 38 . 1 1 4 4 SER H H 1 8.376 0.020 . . . . . A 4 SER H . 19449 1 39 . 1 1 4 4 SER HA H 1 4.532 0.020 . . . . . A 4 SER HA . 19449 1 40 . 1 1 4 4 SER HB2 H 1 3.951 0.020 . . . . . A 4 SER HB2 . 19449 1 41 . 1 1 4 4 SER HB3 H 1 4.312 0.020 . . . . . A 4 SER HB3 . 19449 1 42 . 1 1 4 4 SER C C 13 174.562 0.400 . . . . . A 4 SER C . 19449 1 43 . 1 1 4 4 SER CA C 13 57.162 0.400 . . . . . A 4 SER CA . 19449 1 44 . 1 1 4 4 SER CB C 13 65.966 0.400 . . . . . A 4 SER CB . 19449 1 45 . 1 1 4 4 SER N N 15 122.216 0.400 . . . . . A 4 SER N . 19449 1 46 . 1 1 5 5 ALA H H 1 8.986 0.020 . . . . . A 5 ALA H . 19449 1 47 . 1 1 5 5 ALA HA H 1 3.525 0.020 . . . . . A 5 ALA HA . 19449 1 48 . 1 1 5 5 ALA HB1 H 1 1.309 0.020 . . . . . A 5 ALA HB1 . 19449 1 49 . 1 1 5 5 ALA HB2 H 1 1.309 0.020 . . . . . A 5 ALA HB2 . 19449 1 50 . 1 1 5 5 ALA HB3 H 1 1.309 0.020 . . . . . A 5 ALA HB3 . 19449 1 51 . 1 1 5 5 ALA C C 13 179.834 0.400 . . . . . A 5 ALA C . 19449 1 52 . 1 1 5 5 ALA CA C 13 55.516 0.400 . . . . . A 5 ALA CA . 19449 1 53 . 1 1 5 5 ALA CB C 13 18.050 0.400 . . . . . A 5 ALA CB . 19449 1 54 . 1 1 5 5 ALA N N 15 124.531 0.400 . . . . . A 5 ALA N . 19449 1 55 . 1 1 6 6 GLU H H 1 8.526 0.020 . . . . . A 6 GLU H . 19449 1 56 . 1 1 6 6 GLU HA H 1 3.922 0.020 . . . . . A 6 GLU HA . 19449 1 57 . 1 1 6 6 GLU HB2 H 1 1.833 0.020 . . . . . A 6 GLU HB2 . 19449 1 58 . 1 1 6 6 GLU HB3 H 1 2.005 0.020 . . . . . A 6 GLU HB3 . 19449 1 59 . 1 1 6 6 GLU HG3 H 1 2.215 0.020 . . . . . A 6 GLU HG3 . 19449 1 60 . 1 1 6 6 GLU C C 13 179.125 0.400 . . . . . A 6 GLU C . 19449 1 61 . 1 1 6 6 GLU CA C 13 59.744 0.400 . . . . . A 6 GLU CA . 19449 1 62 . 1 1 6 6 GLU CB C 13 29.270 0.400 . . . . . A 6 GLU CB . 19449 1 63 . 1 1 6 6 GLU CG C 13 36.632 0.400 . . . . . A 6 GLU CG . 19449 1 64 . 1 1 6 6 GLU N N 15 117.333 0.400 . . . . . A 6 GLU N . 19449 1 65 . 1 1 7 7 GLU H H 1 7.696 0.020 . . . . . A 7 GLU H . 19449 1 66 . 1 1 7 7 GLU HA H 1 3.874 0.020 . . . . . A 7 GLU HA . 19449 1 67 . 1 1 7 7 GLU HB2 H 1 1.891 0.020 . . . . . A 7 GLU HB2 . 19449 1 68 . 1 1 7 7 GLU HB3 H 1 2.060 0.020 . . . . . A 7 GLU HB3 . 19449 1 69 . 1 1 7 7 GLU HG2 H 1 2.224 0.020 . . . . . A 7 GLU HG2 . 19449 1 70 . 1 1 7 7 GLU HG3 H 1 2.158 0.020 . . . . . A 7 GLU HG3 . 19449 1 71 . 1 1 7 7 GLU C C 13 178.705 0.400 . . . . . A 7 GLU C . 19449 1 72 . 1 1 7 7 GLU CA C 13 59.016 0.400 . . . . . A 7 GLU CA . 19449 1 73 . 1 1 7 7 GLU CB C 13 29.609 0.400 . . . . . A 7 GLU CB . 19449 1 74 . 1 1 7 7 GLU CG C 13 36.484 0.400 . . . . . A 7 GLU CG . 19449 1 75 . 1 1 7 7 GLU N N 15 120.933 0.400 . . . . . A 7 GLU N . 19449 1 76 . 1 1 8 8 LEU H H 1 8.092 0.020 . . . . . A 8 LEU H . 19449 1 77 . 1 1 8 8 LEU HA H 1 3.728 0.020 . . . . . A 8 LEU HA . 19449 1 78 . 1 1 8 8 LEU HB2 H 1 1.397 0.020 . . . . . A 8 LEU HB2 . 19449 1 79 . 1 1 8 8 LEU HB3 H 1 1.323 0.020 . . . . . A 8 LEU HB3 . 19449 1 80 . 1 1 8 8 LEU HG H 1 1.291 0.020 . . . . . A 8 LEU HG . 19449 1 81 . 1 1 8 8 LEU HD11 H 1 0.432 0.020 . . . . . A 8 LEU HD11 . 19449 1 82 . 1 1 8 8 LEU HD12 H 1 0.432 0.020 . . . . . A 8 LEU HD12 . 19449 1 83 . 1 1 8 8 LEU HD13 H 1 0.432 0.020 . . . . . A 8 LEU HD13 . 19449 1 84 . 1 1 8 8 LEU HD21 H 1 0.355 0.020 . . . . . A 8 LEU HD21 . 19449 1 85 . 1 1 8 8 LEU HD22 H 1 0.355 0.020 . . . . . A 8 LEU HD22 . 19449 1 86 . 1 1 8 8 LEU HD23 H 1 0.355 0.020 . . . . . A 8 LEU HD23 . 19449 1 87 . 1 1 8 8 LEU C C 13 177.984 0.400 . . . . . A 8 LEU C . 19449 1 88 . 1 1 8 8 LEU CA C 13 57.938 0.400 . . . . . A 8 LEU CA . 19449 1 89 . 1 1 8 8 LEU CB C 13 41.743 0.400 . . . . . A 8 LEU CB . 19449 1 90 . 1 1 8 8 LEU CG C 13 26.402 0.400 . . . . . A 8 LEU CG . 19449 1 91 . 1 1 8 8 LEU CD1 C 13 24.702 0.400 . . . . . A 8 LEU CD1 . 19449 1 92 . 1 1 8 8 LEU CD2 C 13 25.131 0.400 . . . . . A 8 LEU CD2 . 19449 1 93 . 1 1 8 8 LEU N N 15 120.345 0.400 . . . . . A 8 LEU N . 19449 1 94 . 1 1 9 9 GLU H H 1 8.104 0.020 . . . . . A 9 GLU H . 19449 1 95 . 1 1 9 9 GLU HA H 1 3.528 0.020 . . . . . A 9 GLU HA . 19449 1 96 . 1 1 9 9 GLU HB2 H 1 1.999 0.020 . . . . . A 9 GLU HB2 . 19449 1 97 . 1 1 9 9 GLU HB3 H 1 1.945 0.020 . . . . . A 9 GLU HB3 . 19449 1 98 . 1 1 9 9 GLU HG2 H 1 2.048 0.020 . . . . . A 9 GLU HG2 . 19449 1 99 . 1 1 9 9 GLU C C 13 177.280 0.400 . . . . . A 9 GLU C . 19449 1 100 . 1 1 9 9 GLU CA C 13 60.629 0.400 . . . . . A 9 GLU CA . 19449 1 101 . 1 1 9 9 GLU CB C 13 29.143 0.400 . . . . . A 9 GLU CB . 19449 1 102 . 1 1 9 9 GLU CG C 13 36.409 0.400 . . . . . A 9 GLU CG . 19449 1 103 . 1 1 9 9 GLU N N 15 118.656 0.400 . . . . . A 9 GLU N . 19449 1 104 . 1 1 10 10 LYS H H 1 7.565 0.020 . . . . . A 10 LYS H . 19449 1 105 . 1 1 10 10 LYS HA H 1 3.773 0.020 . . . . . A 10 LYS HA . 19449 1 106 . 1 1 10 10 LYS HB2 H 1 1.842 0.020 . . . . . A 10 LYS HB2 . 19449 1 107 . 1 1 10 10 LYS HB3 H 1 1.791 0.020 . . . . . A 10 LYS HB3 . 19449 1 108 . 1 1 10 10 LYS HG3 H 1 1.295 0.020 . . . . . A 10 LYS HG3 . 19449 1 109 . 1 1 10 10 LYS HD3 H 1 1.556 0.020 . . . . . A 10 LYS HD3 . 19449 1 110 . 1 1 10 10 LYS C C 13 179.895 0.400 . . . . . A 10 LYS C . 19449 1 111 . 1 1 10 10 LYS CA C 13 59.921 0.400 . . . . . A 10 LYS CA . 19449 1 112 . 1 1 10 10 LYS CB C 13 32.387 0.400 . . . . . A 10 LYS CB . 19449 1 113 . 1 1 10 10 LYS CG C 13 25.331 0.400 . . . . . A 10 LYS CG . 19449 1 114 . 1 1 10 10 LYS CD C 13 29.411 0.400 . . . . . A 10 LYS CD . 19449 1 115 . 1 1 10 10 LYS CE C 13 41.786 0.400 . . . . . A 10 LYS CE . 19449 1 116 . 1 1 10 10 LYS N N 15 117.661 0.400 . . . . . A 10 LYS N . 19449 1 117 . 1 1 11 11 ILE H H 1 7.894 0.020 . . . . . A 11 ILE H . 19449 1 118 . 1 1 11 11 ILE HA H 1 3.616 0.020 . . . . . A 11 ILE HA . 19449 1 119 . 1 1 11 11 ILE HB H 1 1.786 0.020 . . . . . A 11 ILE HB . 19449 1 120 . 1 1 11 11 ILE HG12 H 1 1.686 0.020 . . . . . A 11 ILE HG12 . 19449 1 121 . 1 1 11 11 ILE HG13 H 1 1.068 0.020 . . . . . A 11 ILE HG13 . 19449 1 122 . 1 1 11 11 ILE HG21 H 1 0.807 0.020 . . . . . A 11 ILE HG21 . 19449 1 123 . 1 1 11 11 ILE HG22 H 1 0.807 0.020 . . . . . A 11 ILE HG22 . 19449 1 124 . 1 1 11 11 ILE HG23 H 1 0.807 0.020 . . . . . A 11 ILE HG23 . 19449 1 125 . 1 1 11 11 ILE HD11 H 1 0.744 0.020 . . . . . A 11 ILE HD11 . 19449 1 126 . 1 1 11 11 ILE HD12 H 1 0.744 0.020 . . . . . A 11 ILE HD12 . 19449 1 127 . 1 1 11 11 ILE HD13 H 1 0.744 0.020 . . . . . A 11 ILE HD13 . 19449 1 128 . 1 1 11 11 ILE C C 13 179.908 0.400 . . . . . A 11 ILE C . 19449 1 129 . 1 1 11 11 ILE CA C 13 64.980 0.400 . . . . . A 11 ILE CA . 19449 1 130 . 1 1 11 11 ILE CB C 13 38.415 0.400 . . . . . A 11 ILE CB . 19449 1 131 . 1 1 11 11 ILE CG1 C 13 28.907 0.400 . . . . . A 11 ILE CG1 . 19449 1 132 . 1 1 11 11 ILE CG2 C 13 17.577 0.400 . . . . . A 11 ILE CG2 . 19449 1 133 . 1 1 11 11 ILE CD1 C 13 13.893 0.400 . . . . . A 11 ILE CD1 . 19449 1 134 . 1 1 11 11 ILE N N 15 119.359 0.400 . . . . . A 11 ILE N . 19449 1 135 . 1 1 12 12 LEU H H 1 8.180 0.020 . . . . . A 12 LEU H . 19449 1 136 . 1 1 12 12 LEU HA H 1 3.973 0.020 . . . . . A 12 LEU HA . 19449 1 137 . 1 1 12 12 LEU HB2 H 1 1.995 0.020 . . . . . A 12 LEU HB2 . 19449 1 138 . 1 1 12 12 LEU HB3 H 1 1.241 0.020 . . . . . A 12 LEU HB3 . 19449 1 139 . 1 1 12 12 LEU HG H 1 1.688 0.020 . . . . . A 12 LEU HG . 19449 1 140 . 1 1 12 12 LEU HD11 H 1 0.721 0.020 . . . . . A 12 LEU HD11 . 19449 1 141 . 1 1 12 12 LEU HD12 H 1 0.721 0.020 . . . . . A 12 LEU HD12 . 19449 1 142 . 1 1 12 12 LEU HD13 H 1 0.721 0.020 . . . . . A 12 LEU HD13 . 19449 1 143 . 1 1 12 12 LEU HD21 H 1 0.816 0.020 . . . . . A 12 LEU HD21 . 19449 1 144 . 1 1 12 12 LEU HD22 H 1 0.816 0.020 . . . . . A 12 LEU HD22 . 19449 1 145 . 1 1 12 12 LEU HD23 H 1 0.816 0.020 . . . . . A 12 LEU HD23 . 19449 1 146 . 1 1 12 12 LEU C C 13 179.346 0.400 . . . . . A 12 LEU C . 19449 1 147 . 1 1 12 12 LEU CA C 13 58.306 0.400 . . . . . A 12 LEU CA . 19449 1 148 . 1 1 12 12 LEU CB C 13 42.853 0.400 . . . . . A 12 LEU CB . 19449 1 149 . 1 1 12 12 LEU CG C 13 27.566 0.400 . . . . . A 12 LEU CG . 19449 1 150 . 1 1 12 12 LEU CD1 C 13 27.500 0.400 . . . . . A 12 LEU CD1 . 19449 1 151 . 1 1 12 12 LEU CD2 C 13 23.622 0.400 . . . . . A 12 LEU CD2 . 19449 1 152 . 1 1 12 12 LEU N N 15 121.478 0.400 . . . . . A 12 LEU N . 19449 1 153 . 1 1 13 13 LYS H H 1 8.648 0.020 . . . . . A 13 LYS H . 19449 1 154 . 1 1 13 13 LYS HA H 1 3.791 0.020 . . . . . A 13 LYS HA . 19449 1 155 . 1 1 13 13 LYS HB2 H 1 1.895 0.020 . . . . . A 13 LYS HB2 . 19449 1 156 . 1 1 13 13 LYS HB3 H 1 1.724 0.020 . . . . . A 13 LYS HB3 . 19449 1 157 . 1 1 13 13 LYS HG2 H 1 1.412 0.020 . . . . . A 13 LYS HG2 . 19449 1 158 . 1 1 13 13 LYS HG3 H 1 1.559 0.020 . . . . . A 13 LYS HG3 . 19449 1 159 . 1 1 13 13 LYS HD3 H 1 1.666 0.020 . . . . . A 13 LYS HD3 . 19449 1 160 . 1 1 13 13 LYS HE3 H 1 2.870 0.020 . . . . . A 13 LYS HE3 . 19449 1 161 . 1 1 13 13 LYS C C 13 177.763 0.400 . . . . . A 13 LYS C . 19449 1 162 . 1 1 13 13 LYS CA C 13 57.895 0.400 . . . . . A 13 LYS CA . 19449 1 163 . 1 1 13 13 LYS CB C 13 32.080 0.400 . . . . . A 13 LYS CB . 19449 1 164 . 1 1 13 13 LYS CG C 13 25.507 0.400 . . . . . A 13 LYS CG . 19449 1 165 . 1 1 13 13 LYS CD C 13 29.134 0.400 . . . . . A 13 LYS CD . 19449 1 166 . 1 1 13 13 LYS CE C 13 41.781 0.400 . . . . . A 13 LYS CE . 19449 1 167 . 1 1 13 13 LYS N N 15 119.072 0.400 . . . . . A 13 LYS N . 19449 1 168 . 1 1 14 14 LYS H H 1 7.225 0.020 . . . . . A 14 LYS H . 19449 1 169 . 1 1 14 14 LYS HA H 1 3.963 0.020 . . . . . A 14 LYS HA . 19449 1 170 . 1 1 14 14 LYS HB2 H 1 1.858 0.020 . . . . . A 14 LYS HB2 . 19449 1 171 . 1 1 14 14 LYS HG2 H 1 1.610 0.020 . . . . . A 14 LYS HG2 . 19449 1 172 . 1 1 14 14 LYS HG3 H 1 1.352 0.020 . . . . . A 14 LYS HG3 . 19449 1 173 . 1 1 14 14 LYS HD3 H 1 1.611 0.020 . . . . . A 14 LYS HD3 . 19449 1 174 . 1 1 14 14 LYS HE3 H 1 2.866 0.020 . . . . . A 14 LYS HE3 . 19449 1 175 . 1 1 14 14 LYS C C 13 178.525 0.400 . . . . . A 14 LYS C . 19449 1 176 . 1 1 14 14 LYS CA C 13 59.180 0.400 . . . . . A 14 LYS CA . 19449 1 177 . 1 1 14 14 LYS CB C 13 32.102 0.400 . . . . . A 14 LYS CB . 19449 1 178 . 1 1 14 14 LYS CG C 13 25.023 0.400 . . . . . A 14 LYS CG . 19449 1 179 . 1 1 14 14 LYS CD C 13 29.318 0.400 . . . . . A 14 LYS CD . 19449 1 180 . 1 1 14 14 LYS CE C 13 41.819 0.400 . . . . . A 14 LYS CE . 19449 1 181 . 1 1 14 14 LYS N N 15 116.972 0.400 . . . . . A 14 LYS N . 19449 1 182 . 1 1 15 15 SER H H 1 6.913 0.020 . . . . . A 15 SER H . 19449 1 183 . 1 1 15 15 SER HA H 1 4.206 0.020 . . . . . A 15 SER HA . 19449 1 184 . 1 1 15 15 SER HB2 H 1 3.333 0.020 . . . . . A 15 SER HB2 . 19449 1 185 . 1 1 15 15 SER HB3 H 1 3.058 0.020 . . . . . A 15 SER HB3 . 19449 1 186 . 1 1 15 15 SER C C 13 172.812 0.400 . . . . . A 15 SER C . 19449 1 187 . 1 1 15 15 SER CA C 13 60.745 0.400 . . . . . A 15 SER CA . 19449 1 188 . 1 1 15 15 SER CB C 13 64.381 0.400 . . . . . A 15 SER CB . 19449 1 189 . 1 1 15 15 SER N N 15 111.938 0.400 . . . . . A 15 SER N . 19449 1 190 . 1 1 16 16 PHE H H 1 8.222 0.020 . . . . . A 16 PHE H . 19449 1 191 . 1 1 16 16 PHE HA H 1 4.856 0.020 . . . . . A 16 PHE HA . 19449 1 192 . 1 1 16 16 PHE HB2 H 1 2.675 0.020 . . . . . A 16 PHE HB2 . 19449 1 193 . 1 1 16 16 PHE HB3 H 1 3.089 0.020 . . . . . A 16 PHE HB3 . 19449 1 194 . 1 1 16 16 PHE CA C 13 54.828 0.400 . . . . . A 16 PHE CA . 19449 1 195 . 1 1 16 16 PHE CB C 13 37.569 0.400 . . . . . A 16 PHE CB . 19449 1 196 . 1 1 16 16 PHE N N 15 118.448 0.400 . . . . . A 16 PHE N . 19449 1 197 . 1 1 17 17 PRO HA H 1 4.573 0.020 . . . . . A 17 PRO HA . 19449 1 198 . 1 1 17 17 PRO HB2 H 1 1.937 0.020 . . . . . A 17 PRO HB2 . 19449 1 199 . 1 1 17 17 PRO HB3 H 1 2.326 0.020 . . . . . A 17 PRO HB3 . 19449 1 200 . 1 1 17 17 PRO HG2 H 1 1.867 0.020 . . . . . A 17 PRO HG2 . 19449 1 201 . 1 1 17 17 PRO HD2 H 1 3.493 0.020 . . . . . A 17 PRO HD2 . 19449 1 202 . 1 1 17 17 PRO HD3 H 1 3.022 0.020 . . . . . A 17 PRO HD3 . 19449 1 203 . 1 1 17 17 PRO C C 13 178.807 0.400 . . . . . A 17 PRO C . 19449 1 204 . 1 1 17 17 PRO CA C 13 65.800 0.400 . . . . . A 17 PRO CA . 19449 1 205 . 1 1 17 17 PRO CB C 13 32.018 0.400 . . . . . A 17 PRO CB . 19449 1 206 . 1 1 17 17 PRO CG C 13 27.209 0.400 . . . . . A 17 PRO CG . 19449 1 207 . 1 1 18 18 SER H H 1 9.427 0.020 . . . . . A 18 SER H . 19449 1 208 . 1 1 18 18 SER HA H 1 4.716 0.020 . . . . . A 18 SER HA . 19449 1 209 . 1 1 18 18 SER HB2 H 1 3.978 0.020 . . . . . A 18 SER HB2 . 19449 1 210 . 1 1 18 18 SER HB3 H 1 3.827 0.020 . . . . . A 18 SER HB3 . 19449 1 211 . 1 1 18 18 SER C C 13 174.085 0.400 . . . . . A 18 SER C . 19449 1 212 . 1 1 18 18 SER CA C 13 57.161 0.400 . . . . . A 18 SER CA . 19449 1 213 . 1 1 18 18 SER CB C 13 63.144 0.400 . . . . . A 18 SER CB . 19449 1 214 . 1 1 18 18 SER N N 15 116.179 0.400 . . . . . A 18 SER N . 19449 1 215 . 1 1 19 19 SER H H 1 7.303 0.020 . . . . . A 19 SER H . 19449 1 216 . 1 1 19 19 SER HA H 1 4.750 0.020 . . . . . A 19 SER HA . 19449 1 217 . 1 1 19 19 SER HB2 H 1 4.277 0.020 . . . . . A 19 SER HB2 . 19449 1 218 . 1 1 19 19 SER HB3 H 1 3.651 0.020 . . . . . A 19 SER HB3 . 19449 1 219 . 1 1 19 19 SER C C 13 175.392 0.400 . . . . . A 19 SER C . 19449 1 220 . 1 1 19 19 SER CA C 13 58.398 0.400 . . . . . A 19 SER CA . 19449 1 221 . 1 1 19 19 SER CB C 13 66.246 0.400 . . . . . A 19 SER CB . 19449 1 222 . 1 1 19 19 SER N N 15 116.639 0.400 . . . . . A 19 SER N . 19449 1 223 . 1 1 20 20 VAL H H 1 8.354 0.020 . . . . . A 20 VAL H . 19449 1 224 . 1 1 20 20 VAL HA H 1 4.151 0.020 . . . . . A 20 VAL HA . 19449 1 225 . 1 1 20 20 VAL HB H 1 1.843 0.020 . . . . . A 20 VAL HB . 19449 1 226 . 1 1 20 20 VAL HG11 H 1 0.822 0.020 . . . . . A 20 VAL HG11 . 19449 1 227 . 1 1 20 20 VAL HG12 H 1 0.822 0.020 . . . . . A 20 VAL HG12 . 19449 1 228 . 1 1 20 20 VAL HG13 H 1 0.822 0.020 . . . . . A 20 VAL HG13 . 19449 1 229 . 1 1 20 20 VAL HG21 H 1 0.870 0.020 . . . . . A 20 VAL HG21 . 19449 1 230 . 1 1 20 20 VAL HG22 H 1 0.870 0.020 . . . . . A 20 VAL HG22 . 19449 1 231 . 1 1 20 20 VAL HG23 H 1 0.870 0.020 . . . . . A 20 VAL HG23 . 19449 1 232 . 1 1 20 20 VAL C C 13 175.866 0.400 . . . . . A 20 VAL C . 19449 1 233 . 1 1 20 20 VAL CA C 13 62.633 0.400 . . . . . A 20 VAL CA . 19449 1 234 . 1 1 20 20 VAL CB C 13 33.213 0.400 . . . . . A 20 VAL CB . 19449 1 235 . 1 1 20 20 VAL CG1 C 13 21.146 0.400 . . . . . A 20 VAL CG1 . 19449 1 236 . 1 1 20 20 VAL CG2 C 13 20.539 0.400 . . . . . A 20 VAL CG2 . 19449 1 237 . 1 1 20 20 VAL N N 15 119.200 0.400 . . . . . A 20 VAL N . 19449 1 238 . 1 1 21 21 ILE H H 1 8.668 0.020 . . . . . A 21 ILE H . 19449 1 239 . 1 1 21 21 ILE HA H 1 4.685 0.020 . . . . . A 21 ILE HA . 19449 1 240 . 1 1 21 21 ILE HB H 1 1.488 0.020 . . . . . A 21 ILE HB . 19449 1 241 . 1 1 21 21 ILE HG12 H 1 0.691 0.020 . . . . . A 21 ILE HG12 . 19449 1 242 . 1 1 21 21 ILE HG13 H 1 1.598 0.020 . . . . . A 21 ILE HG13 . 19449 1 243 . 1 1 21 21 ILE HG21 H 1 0.622 0.020 . . . . . A 21 ILE HG21 . 19449 1 244 . 1 1 21 21 ILE HG22 H 1 0.622 0.020 . . . . . A 21 ILE HG22 . 19449 1 245 . 1 1 21 21 ILE HG23 H 1 0.622 0.020 . . . . . A 21 ILE HG23 . 19449 1 246 . 1 1 21 21 ILE HD11 H 1 0.771 0.020 . . . . . A 21 ILE HD11 . 19449 1 247 . 1 1 21 21 ILE HD12 H 1 0.771 0.020 . . . . . A 21 ILE HD12 . 19449 1 248 . 1 1 21 21 ILE HD13 H 1 0.771 0.020 . . . . . A 21 ILE HD13 . 19449 1 249 . 1 1 21 21 ILE C C 13 174.757 0.400 . . . . . A 21 ILE C . 19449 1 250 . 1 1 21 21 ILE CA C 13 60.521 0.400 . . . . . A 21 ILE CA . 19449 1 251 . 1 1 21 21 ILE CB C 13 41.455 0.400 . . . . . A 21 ILE CB . 19449 1 252 . 1 1 21 21 ILE CG1 C 13 28.560 0.400 . . . . . A 21 ILE CG1 . 19449 1 253 . 1 1 21 21 ILE CG2 C 13 17.959 0.400 . . . . . A 21 ILE CG2 . 19449 1 254 . 1 1 21 21 ILE CD1 C 13 16.056 0.400 . . . . . A 21 ILE CD1 . 19449 1 255 . 1 1 21 21 ILE N N 15 128.342 0.400 . . . . . A 21 ILE N . 19449 1 256 . 1 1 22 22 LYS H H 1 9.004 0.020 . . . . . A 22 LYS H . 19449 1 257 . 1 1 22 22 LYS HA H 1 4.543 0.020 . . . . . A 22 LYS HA . 19449 1 258 . 1 1 22 22 LYS HB2 H 1 1.678 0.020 . . . . . A 22 LYS HB2 . 19449 1 259 . 1 1 22 22 LYS HB3 H 1 1.559 0.020 . . . . . A 22 LYS HB3 . 19449 1 260 . 1 1 22 22 LYS HG2 H 1 1.249 0.020 . . . . . A 22 LYS HG2 . 19449 1 261 . 1 1 22 22 LYS HG3 H 1 1.163 0.020 . . . . . A 22 LYS HG3 . 19449 1 262 . 1 1 22 22 LYS HD3 H 1 1.505 0.020 . . . . . A 22 LYS HD3 . 19449 1 263 . 1 1 22 22 LYS HE3 H 1 2.757 0.020 . . . . . A 22 LYS HE3 . 19449 1 264 . 1 1 22 22 LYS C C 13 174.900 0.400 . . . . . A 22 LYS C . 19449 1 265 . 1 1 22 22 LYS CA C 13 55.561 0.400 . . . . . A 22 LYS CA . 19449 1 266 . 1 1 22 22 LYS CB C 13 35.490 0.400 . . . . . A 22 LYS CB . 19449 1 267 . 1 1 22 22 LYS CG C 13 24.710 0.400 . . . . . A 22 LYS CG . 19449 1 268 . 1 1 22 22 LYS CD C 13 29.248 0.400 . . . . . A 22 LYS CD . 19449 1 269 . 1 1 22 22 LYS CE C 13 41.858 0.400 . . . . . A 22 LYS CE . 19449 1 270 . 1 1 22 22 LYS N N 15 128.866 0.400 . . . . . A 22 LYS N . 19449 1 271 . 1 1 23 23 ILE H H 1 8.869 0.020 . . . . . A 23 ILE H . 19449 1 272 . 1 1 23 23 ILE HA H 1 4.817 0.020 . . . . . A 23 ILE HA . 19449 1 273 . 1 1 23 23 ILE HB H 1 1.517 0.020 . . . . . A 23 ILE HB . 19449 1 274 . 1 1 23 23 ILE HG13 H 1 1.366 0.020 . . . . . A 23 ILE HG13 . 19449 1 275 . 1 1 23 23 ILE HG21 H 1 0.578 0.020 . . . . . A 23 ILE HG21 . 19449 1 276 . 1 1 23 23 ILE HG22 H 1 0.578 0.020 . . . . . A 23 ILE HG22 . 19449 1 277 . 1 1 23 23 ILE HG23 H 1 0.578 0.020 . . . . . A 23 ILE HG23 . 19449 1 278 . 1 1 23 23 ILE HD11 H 1 0.614 0.020 . . . . . A 23 ILE HD11 . 19449 1 279 . 1 1 23 23 ILE HD12 H 1 0.614 0.020 . . . . . A 23 ILE HD12 . 19449 1 280 . 1 1 23 23 ILE HD13 H 1 0.614 0.020 . . . . . A 23 ILE HD13 . 19449 1 281 . 1 1 23 23 ILE C C 13 175.206 0.400 . . . . . A 23 ILE C . 19449 1 282 . 1 1 23 23 ILE CA C 13 60.258 0.400 . . . . . A 23 ILE CA . 19449 1 283 . 1 1 23 23 ILE CB C 13 40.379 0.400 . . . . . A 23 ILE CB . 19449 1 284 . 1 1 23 23 ILE CG1 C 13 28.844 0.400 . . . . . A 23 ILE CG1 . 19449 1 285 . 1 1 23 23 ILE CG2 C 13 18.837 0.400 . . . . . A 23 ILE CG2 . 19449 1 286 . 1 1 23 23 ILE CD1 C 13 14.548 0.400 . . . . . A 23 ILE CD1 . 19449 1 287 . 1 1 23 23 ILE N N 15 127.570 0.400 . . . . . A 23 ILE N . 19449 1 288 . 1 1 24 24 THR H H 1 8.856 0.020 . . . . . A 24 THR H . 19449 1 289 . 1 1 24 24 THR HA H 1 4.532 0.020 . . . . . A 24 THR HA . 19449 1 290 . 1 1 24 24 THR HB H 1 3.923 0.020 . . . . . A 24 THR HB . 19449 1 291 . 1 1 24 24 THR HG21 H 1 1.084 0.020 . . . . . A 24 THR HG21 . 19449 1 292 . 1 1 24 24 THR HG22 H 1 1.084 0.020 . . . . . A 24 THR HG22 . 19449 1 293 . 1 1 24 24 THR HG23 H 1 1.084 0.020 . . . . . A 24 THR HG23 . 19449 1 294 . 1 1 24 24 THR C C 13 173.003 0.400 . . . . . A 24 THR C . 19449 1 295 . 1 1 24 24 THR CA C 13 61.182 0.400 . . . . . A 24 THR CA . 19449 1 296 . 1 1 24 24 THR CB C 13 71.402 0.400 . . . . . A 24 THR CB . 19449 1 297 . 1 1 24 24 THR CG2 C 13 21.445 0.400 . . . . . A 24 THR CG2 . 19449 1 298 . 1 1 24 24 THR N N 15 122.480 0.400 . . . . . A 24 THR N . 19449 1 299 . 1 1 25 25 ASP H H 1 8.984 0.020 . . . . . A 25 ASP H . 19449 1 300 . 1 1 25 25 ASP HA H 1 4.697 0.020 . . . . . A 25 ASP HA . 19449 1 301 . 1 1 25 25 ASP HB2 H 1 2.832 0.020 . . . . . A 25 ASP HB2 . 19449 1 302 . 1 1 25 25 ASP HB3 H 1 2.499 0.020 . . . . . A 25 ASP HB3 . 19449 1 303 . 1 1 25 25 ASP C C 13 176.417 0.400 . . . . . A 25 ASP C . 19449 1 304 . 1 1 25 25 ASP CA C 13 53.225 0.400 . . . . . A 25 ASP CA . 19449 1 305 . 1 1 25 25 ASP CB C 13 40.744 0.400 . . . . . A 25 ASP CB . 19449 1 306 . 1 1 25 25 ASP N N 15 126.508 0.400 . . . . . A 25 ASP N . 19449 1 307 . 1 1 26 26 LEU H H 1 8.493 0.020 . . . . . A 26 LEU H . 19449 1 308 . 1 1 26 26 LEU HA H 1 4.090 0.020 . . . . . A 26 LEU HA . 19449 1 309 . 1 1 26 26 LEU HB2 H 1 1.507 0.020 . . . . . A 26 LEU HB2 . 19449 1 310 . 1 1 26 26 LEU HB3 H 1 1.437 0.020 . . . . . A 26 LEU HB3 . 19449 1 311 . 1 1 26 26 LEU HG H 1 1.514 0.020 . . . . . A 26 LEU HG . 19449 1 312 . 1 1 26 26 LEU HD11 H 1 0.753 0.020 . . . . . A 26 LEU HD11 . 19449 1 313 . 1 1 26 26 LEU HD12 H 1 0.753 0.020 . . . . . A 26 LEU HD12 . 19449 1 314 . 1 1 26 26 LEU HD13 H 1 0.753 0.020 . . . . . A 26 LEU HD13 . 19449 1 315 . 1 1 26 26 LEU HD21 H 1 0.808 0.020 . . . . . A 26 LEU HD21 . 19449 1 316 . 1 1 26 26 LEU HD22 H 1 0.808 0.020 . . . . . A 26 LEU HD22 . 19449 1 317 . 1 1 26 26 LEU HD23 H 1 0.808 0.020 . . . . . A 26 LEU HD23 . 19449 1 318 . 1 1 26 26 LEU C C 13 177.615 0.400 . . . . . A 26 LEU C . 19449 1 319 . 1 1 26 26 LEU CA C 13 56.409 0.400 . . . . . A 26 LEU CA . 19449 1 320 . 1 1 26 26 LEU CB C 13 42.808 0.400 . . . . . A 26 LEU CB . 19449 1 321 . 1 1 26 26 LEU CG C 13 26.973 0.400 . . . . . A 26 LEU CG . 19449 1 322 . 1 1 26 26 LEU CD1 C 13 23.410 0.400 . . . . . A 26 LEU CD1 . 19449 1 323 . 1 1 26 26 LEU CD2 C 13 24.979 0.400 . . . . . A 26 LEU CD2 . 19449 1 324 . 1 1 26 26 LEU N N 15 125.128 0.400 . . . . . A 26 LEU N . 19449 1 325 . 1 1 27 27 VAL H H 1 8.111 0.020 . . . . . A 27 VAL H . 19449 1 326 . 1 1 27 27 VAL HA H 1 4.012 0.020 . . . . . A 27 VAL HA . 19449 1 327 . 1 1 27 27 VAL HB H 1 1.801 0.020 . . . . . A 27 VAL HB . 19449 1 328 . 1 1 27 27 VAL HG11 H 1 0.679 0.020 . . . . . A 27 VAL HG11 . 19449 1 329 . 1 1 27 27 VAL HG12 H 1 0.679 0.020 . . . . . A 27 VAL HG12 . 19449 1 330 . 1 1 27 27 VAL HG13 H 1 0.679 0.020 . . . . . A 27 VAL HG13 . 19449 1 331 . 1 1 27 27 VAL HG21 H 1 0.576 0.020 . . . . . A 27 VAL HG21 . 19449 1 332 . 1 1 27 27 VAL HG22 H 1 0.576 0.020 . . . . . A 27 VAL HG22 . 19449 1 333 . 1 1 27 27 VAL HG23 H 1 0.576 0.020 . . . . . A 27 VAL HG23 . 19449 1 334 . 1 1 27 27 VAL C C 13 176.064 0.400 . . . . . A 27 VAL C . 19449 1 335 . 1 1 27 27 VAL CA C 13 62.772 0.400 . . . . . A 27 VAL CA . 19449 1 336 . 1 1 27 27 VAL CB C 13 34.397 0.400 . . . . . A 27 VAL CB . 19449 1 337 . 1 1 27 27 VAL CG1 C 13 21.326 0.400 . . . . . A 27 VAL CG1 . 19449 1 338 . 1 1 27 27 VAL CG2 C 13 21.277 0.400 . . . . . A 27 VAL CG2 . 19449 1 339 . 1 1 27 27 VAL N N 15 116.931 0.400 . . . . . A 27 VAL N . 19449 1 340 . 1 1 28 28 GLY H H 1 8.947 0.020 . . . . . A 28 GLY H . 19449 1 341 . 1 1 28 28 GLY HA2 H 1 3.577 0.020 . . . . . A 28 GLY HA2 . 19449 1 342 . 1 1 28 28 GLY HA3 H 1 4.174 0.020 . . . . . A 28 GLY HA3 . 19449 1 343 . 1 1 28 28 GLY C C 13 174.054 0.400 . . . . . A 28 GLY C . 19449 1 344 . 1 1 28 28 GLY CA C 13 45.634 0.400 . . . . . A 28 GLY CA . 19449 1 345 . 1 1 28 28 GLY N N 15 111.338 0.400 . . . . . A 28 GLY N . 19449 1 346 . 1 1 29 29 ASP H H 1 7.802 0.020 . . . . . A 29 ASP H . 19449 1 347 . 1 1 29 29 ASP HB2 H 1 2.856 0.020 . . . . . A 29 ASP HB2 . 19449 1 348 . 1 1 29 29 ASP HB3 H 1 2.433 0.020 . . . . . A 29 ASP HB3 . 19449 1 349 . 1 1 29 29 ASP C C 13 175.806 0.400 . . . . . A 29 ASP C . 19449 1 350 . 1 1 29 29 ASP CA C 13 52.520 0.400 . . . . . A 29 ASP CA . 19449 1 351 . 1 1 29 29 ASP CB C 13 41.120 0.400 . . . . . A 29 ASP CB . 19449 1 352 . 1 1 29 29 ASP N N 15 119.343 0.400 . . . . . A 29 ASP N . 19449 1 353 . 1 1 30 30 GLN H H 1 9.284 0.020 . . . . . A 30 GLN H . 19449 1 354 . 1 1 30 30 GLN HA H 1 3.581 0.020 . . . . . A 30 GLN HA . 19449 1 355 . 1 1 30 30 GLN HB2 H 1 2.299 0.020 . . . . . A 30 GLN HB2 . 19449 1 356 . 1 1 30 30 GLN HB3 H 1 2.109 0.020 . . . . . A 30 GLN HB3 . 19449 1 357 . 1 1 30 30 GLN HE21 H 1 7.466 0.020 . . . . . A 30 GLN HE21 . 19449 1 358 . 1 1 30 30 GLN HE22 H 1 6.665 0.020 . . . . . A 30 GLN HE22 . 19449 1 359 . 1 1 30 30 GLN C C 13 174.351 0.400 . . . . . A 30 GLN C . 19449 1 360 . 1 1 30 30 GLN CA C 13 57.299 0.400 . . . . . A 30 GLN CA . 19449 1 361 . 1 1 30 30 GLN CB C 13 27.350 0.400 . . . . . A 30 GLN CB . 19449 1 362 . 1 1 30 30 GLN CG C 13 34.895 0.400 . . . . . A 30 GLN CG . 19449 1 363 . 1 1 30 30 GLN N N 15 116.835 0.400 . . . . . A 30 GLN N . 19449 1 364 . 1 1 30 30 GLN NE2 N 15 111.364 0.400 . . . . . A 30 GLN NE2 . 19449 1 365 . 1 1 31 31 ASP H H 1 7.762 0.020 . . . . . A 31 ASP H . 19449 1 366 . 1 1 31 31 ASP HA H 1 4.757 0.020 . . . . . A 31 ASP HA . 19449 1 367 . 1 1 31 31 ASP HB3 H 1 2.283 0.020 . . . . . A 31 ASP HB3 . 19449 1 368 . 1 1 31 31 ASP C C 13 174.994 0.400 . . . . . A 31 ASP C . 19449 1 369 . 1 1 31 31 ASP CA C 13 53.587 0.400 . . . . . A 31 ASP CA . 19449 1 370 . 1 1 31 31 ASP CB C 13 42.674 0.400 . . . . . A 31 ASP CB . 19449 1 371 . 1 1 31 31 ASP N N 15 114.773 0.400 . . . . . A 31 ASP N . 19449 1 372 . 1 1 32 32 HIS H H 1 7.364 0.020 . . . . . A 32 HIS H . 19449 1 373 . 1 1 32 32 HIS HA H 1 4.819 0.020 . . . . . A 32 HIS HA . 19449 1 374 . 1 1 32 32 HIS HB2 H 1 2.855 0.020 . . . . . A 32 HIS HB2 . 19449 1 375 . 1 1 32 32 HIS HB3 H 1 3.047 0.020 . . . . . A 32 HIS HB3 . 19449 1 376 . 1 1 32 32 HIS CA C 13 55.006 0.400 . . . . . A 32 HIS CA . 19449 1 377 . 1 1 32 32 HIS CB C 13 30.246 0.400 . . . . . A 32 HIS CB . 19449 1 378 . 1 1 32 32 HIS N N 15 116.715 0.400 . . . . . A 32 HIS N . 19449 1 379 . 1 1 33 33 TYR H H 1 7.979 0.020 . . . . . A 33 TYR H . 19449 1 380 . 1 1 33 33 TYR HA H 1 5.281 0.020 . . . . . A 33 TYR HA . 19449 1 381 . 1 1 33 33 TYR HB2 H 1 2.385 0.020 . . . . . A 33 TYR HB2 . 19449 1 382 . 1 1 33 33 TYR HB3 H 1 2.639 0.020 . . . . . A 33 TYR HB3 . 19449 1 383 . 1 1 33 33 TYR C C 13 175.344 0.400 . . . . . A 33 TYR C . 19449 1 384 . 1 1 33 33 TYR CA C 13 57.486 0.400 . . . . . A 33 TYR CA . 19449 1 385 . 1 1 33 33 TYR CB C 13 42.046 0.400 . . . . . A 33 TYR CB . 19449 1 386 . 1 1 33 33 TYR N N 15 118.888 0.400 . . . . . A 33 TYR N . 19449 1 387 . 1 1 34 34 ALA H H 1 9.214 0.020 . . . . . A 34 ALA H . 19449 1 388 . 1 1 34 34 ALA HA H 1 4.979 0.020 . . . . . A 34 ALA HA . 19449 1 389 . 1 1 34 34 ALA HB1 H 1 1.299 0.020 . . . . . A 34 ALA HB1 . 19449 1 390 . 1 1 34 34 ALA HB2 H 1 1.299 0.020 . . . . . A 34 ALA HB2 . 19449 1 391 . 1 1 34 34 ALA HB3 H 1 1.299 0.020 . . . . . A 34 ALA HB3 . 19449 1 392 . 1 1 34 34 ALA C C 13 175.399 0.400 . . . . . A 34 ALA C . 19449 1 393 . 1 1 34 34 ALA CA C 13 51.063 0.400 . . . . . A 34 ALA CA . 19449 1 394 . 1 1 34 34 ALA CB C 13 20.421 0.400 . . . . . A 34 ALA CB . 19449 1 395 . 1 1 34 34 ALA N N 15 124.471 0.400 . . . . . A 34 ALA N . 19449 1 396 . 1 1 35 35 LEU H H 1 8.855 0.020 . . . . . A 35 LEU H . 19449 1 397 . 1 1 35 35 LEU HA H 1 4.959 0.020 . . . . . A 35 LEU HA . 19449 1 398 . 1 1 35 35 LEU HB2 H 1 1.638 0.020 . . . . . A 35 LEU HB2 . 19449 1 399 . 1 1 35 35 LEU HB3 H 1 1.110 0.020 . . . . . A 35 LEU HB3 . 19449 1 400 . 1 1 35 35 LEU HG H 1 1.298 0.020 . . . . . A 35 LEU HG . 19449 1 401 . 1 1 35 35 LEU HD11 H 1 0.641 0.020 . . . . . A 35 LEU HD11 . 19449 1 402 . 1 1 35 35 LEU HD12 H 1 0.641 0.020 . . . . . A 35 LEU HD12 . 19449 1 403 . 1 1 35 35 LEU HD13 H 1 0.641 0.020 . . . . . A 35 LEU HD13 . 19449 1 404 . 1 1 35 35 LEU HD21 H 1 0.596 0.020 . . . . . A 35 LEU HD21 . 19449 1 405 . 1 1 35 35 LEU HD22 H 1 0.596 0.020 . . . . . A 35 LEU HD22 . 19449 1 406 . 1 1 35 35 LEU HD23 H 1 0.596 0.020 . . . . . A 35 LEU HD23 . 19449 1 407 . 1 1 35 35 LEU C C 13 174.694 0.400 . . . . . A 35 LEU C . 19449 1 408 . 1 1 35 35 LEU CA C 13 53.283 0.400 . . . . . A 35 LEU CA . 19449 1 409 . 1 1 35 35 LEU CB C 13 45.575 0.400 . . . . . A 35 LEU CB . 19449 1 410 . 1 1 35 35 LEU CG C 13 27.736 0.400 . . . . . A 35 LEU CG . 19449 1 411 . 1 1 35 35 LEU CD1 C 13 25.656 0.400 . . . . . A 35 LEU CD1 . 19449 1 412 . 1 1 35 35 LEU CD2 C 13 27.171 0.400 . . . . . A 35 LEU CD2 . 19449 1 413 . 1 1 35 35 LEU N N 15 124.614 0.400 . . . . . A 35 LEU N . 19449 1 414 . 1 1 36 36 GLU H H 1 9.085 0.020 . . . . . A 36 GLU H . 19449 1 415 . 1 1 36 36 GLU HA H 1 5.234 0.020 . . . . . A 36 GLU HA . 19449 1 416 . 1 1 36 36 GLU HB2 H 1 1.837 0.020 . . . . . A 36 GLU HB2 . 19449 1 417 . 1 1 36 36 GLU HB3 H 1 1.912 0.020 . . . . . A 36 GLU HB3 . 19449 1 418 . 1 1 36 36 GLU HG3 H 1 2.000 0.020 . . . . . A 36 GLU HG3 . 19449 1 419 . 1 1 36 36 GLU C C 13 174.441 0.400 . . . . . A 36 GLU C . 19449 1 420 . 1 1 36 36 GLU CA C 13 54.797 0.400 . . . . . A 36 GLU CA . 19449 1 421 . 1 1 36 36 GLU CB C 13 31.608 0.400 . . . . . A 36 GLU CB . 19449 1 422 . 1 1 36 36 GLU CG C 13 36.696 0.400 . . . . . A 36 GLU CG . 19449 1 423 . 1 1 36 36 GLU N N 15 127.949 0.400 . . . . . A 36 GLU N . 19449 1 424 . 1 1 37 37 ILE H H 1 8.709 0.020 . . . . . A 37 ILE H . 19449 1 425 . 1 1 37 37 ILE HA H 1 5.195 0.020 . . . . . A 37 ILE HA . 19449 1 426 . 1 1 37 37 ILE HB H 1 1.385 0.020 . . . . . A 37 ILE HB . 19449 1 427 . 1 1 37 37 ILE HG12 H 1 0.695 0.020 . . . . . A 37 ILE HG12 . 19449 1 428 . 1 1 37 37 ILE HG21 H 1 0.695 0.020 . . . . . A 37 ILE HG21 . 19449 1 429 . 1 1 37 37 ILE HG22 H 1 0.695 0.020 . . . . . A 37 ILE HG22 . 19449 1 430 . 1 1 37 37 ILE HG23 H 1 0.695 0.020 . . . . . A 37 ILE HG23 . 19449 1 431 . 1 1 37 37 ILE HD11 H 1 0.335 0.020 . . . . . A 37 ILE HD11 . 19449 1 432 . 1 1 37 37 ILE HD12 H 1 0.335 0.020 . . . . . A 37 ILE HD12 . 19449 1 433 . 1 1 37 37 ILE HD13 H 1 0.335 0.020 . . . . . A 37 ILE HD13 . 19449 1 434 . 1 1 37 37 ILE C C 13 172.644 0.400 . . . . . A 37 ILE C . 19449 1 435 . 1 1 37 37 ILE CA C 13 58.298 0.400 . . . . . A 37 ILE CA . 19449 1 436 . 1 1 37 37 ILE CB C 13 41.651 0.400 . . . . . A 37 ILE CB . 19449 1 437 . 1 1 37 37 ILE CG1 C 13 28.707 0.400 . . . . . A 37 ILE CG1 . 19449 1 438 . 1 1 37 37 ILE CG2 C 13 14.925 0.400 . . . . . A 37 ILE CG2 . 19449 1 439 . 1 1 37 37 ILE CD1 C 13 14.748 0.400 . . . . . A 37 ILE CD1 . 19449 1 440 . 1 1 37 37 ILE N N 15 123.414 0.400 . . . . . A 37 ILE N . 19449 1 441 . 1 1 38 38 SER H H 1 8.843 0.020 . . . . . A 38 SER H . 19449 1 442 . 1 1 38 38 SER HA H 1 5.989 0.020 . . . . . A 38 SER HA . 19449 1 443 . 1 1 38 38 SER HB2 H 1 3.624 0.020 . . . . . A 38 SER HB2 . 19449 1 444 . 1 1 38 38 SER HB3 H 1 3.529 0.020 . . . . . A 38 SER HB3 . 19449 1 445 . 1 1 38 38 SER C C 13 173.645 0.400 . . . . . A 38 SER C . 19449 1 446 . 1 1 38 38 SER CA C 13 55.428 0.400 . . . . . A 38 SER CA . 19449 1 447 . 1 1 38 38 SER CB C 13 64.017 0.400 . . . . . A 38 SER CB . 19449 1 448 . 1 1 38 38 SER N N 15 123.499 0.400 . . . . . A 38 SER N . 19449 1 449 . 1 1 39 39 ASP H H 1 8.211 0.020 . . . . . A 39 ASP H . 19449 1 450 . 1 1 39 39 ASP HA H 1 4.438 0.020 . . . . . A 39 ASP HA . 19449 1 451 . 1 1 39 39 ASP HB2 H 1 1.909 0.020 . . . . . A 39 ASP HB2 . 19449 1 452 . 1 1 39 39 ASP HB3 H 1 1.160 0.020 . . . . . A 39 ASP HB3 . 19449 1 453 . 1 1 39 39 ASP C C 13 175.131 0.400 . . . . . A 39 ASP C . 19449 1 454 . 1 1 39 39 ASP CA C 13 55.009 0.400 . . . . . A 39 ASP CA . 19449 1 455 . 1 1 39 39 ASP CB C 13 46.600 0.400 . . . . . A 39 ASP CB . 19449 1 456 . 1 1 39 39 ASP N N 15 122.449 0.400 . . . . . A 39 ASP N . 19449 1 457 . 1 1 40 40 ALA H H 1 8.730 0.020 . . . . . A 40 ALA H . 19449 1 458 . 1 1 40 40 ALA HA H 1 4.369 0.020 . . . . . A 40 ALA HA . 19449 1 459 . 1 1 40 40 ALA HB1 H 1 1.340 0.020 . . . . . A 40 ALA HB1 . 19449 1 460 . 1 1 40 40 ALA HB2 H 1 1.340 0.020 . . . . . A 40 ALA HB2 . 19449 1 461 . 1 1 40 40 ALA HB3 H 1 1.340 0.020 . . . . . A 40 ALA HB3 . 19449 1 462 . 1 1 40 40 ALA C C 13 180.467 0.400 . . . . . A 40 ALA C . 19449 1 463 . 1 1 40 40 ALA CA C 13 53.868 0.400 . . . . . A 40 ALA CA . 19449 1 464 . 1 1 40 40 ALA CB C 13 18.372 0.400 . . . . . A 40 ALA CB . 19449 1 465 . 1 1 40 40 ALA N N 15 129.616 0.400 . . . . . A 40 ALA N . 19449 1 466 . 1 1 41 41 GLN H H 1 10.188 0.020 . . . . . A 41 GLN H . 19449 1 467 . 1 1 41 41 GLN HA H 1 3.970 0.020 . . . . . A 41 GLN HA . 19449 1 468 . 1 1 41 41 GLN HB2 H 1 1.832 0.020 . . . . . A 41 GLN HB2 . 19449 1 469 . 1 1 41 41 GLN HB3 H 1 1.646 0.020 . . . . . A 41 GLN HB3 . 19449 1 470 . 1 1 41 41 GLN HG2 H 1 2.063 0.020 . . . . . A 41 GLN HG2 . 19449 1 471 . 1 1 41 41 GLN HG3 H 1 2.278 0.020 . . . . . A 41 GLN HG3 . 19449 1 472 . 1 1 41 41 GLN HE21 H 1 7.345 0.020 . . . . . A 41 GLN HE21 . 19449 1 473 . 1 1 41 41 GLN HE22 H 1 6.635 0.020 . . . . . A 41 GLN HE22 . 19449 1 474 . 1 1 41 41 GLN C C 13 176.767 0.400 . . . . . A 41 GLN C . 19449 1 475 . 1 1 41 41 GLN CA C 13 58.257 0.400 . . . . . A 41 GLN CA . 19449 1 476 . 1 1 41 41 GLN CB C 13 29.807 0.400 . . . . . A 41 GLN CB . 19449 1 477 . 1 1 41 41 GLN CG C 13 35.442 0.400 . . . . . A 41 GLN CG . 19449 1 478 . 1 1 41 41 GLN N N 15 119.804 0.400 . . . . . A 41 GLN N . 19449 1 479 . 1 1 41 41 GLN NE2 N 15 111.513 0.400 . . . . . A 41 GLN NE2 . 19449 1 480 . 1 1 42 42 PHE H H 1 7.010 0.020 . . . . . A 42 PHE H . 19449 1 481 . 1 1 42 42 PHE HA H 1 4.559 0.020 . . . . . A 42 PHE HA . 19449 1 482 . 1 1 42 42 PHE HB2 H 1 3.203 0.020 . . . . . A 42 PHE HB2 . 19449 1 483 . 1 1 42 42 PHE HB3 H 1 2.844 0.020 . . . . . A 42 PHE HB3 . 19449 1 484 . 1 1 42 42 PHE C C 13 176.183 0.400 . . . . . A 42 PHE C . 19449 1 485 . 1 1 42 42 PHE CA C 13 55.829 0.400 . . . . . A 42 PHE CA . 19449 1 486 . 1 1 42 42 PHE CB C 13 37.612 0.400 . . . . . A 42 PHE CB . 19449 1 487 . 1 1 42 42 PHE N N 15 114.111 0.400 . . . . . A 42 PHE N . 19449 1 488 . 1 1 43 43 ASN H H 1 7.528 0.020 . . . . . A 43 ASN H . 19449 1 489 . 1 1 43 43 ASN HA H 1 4.292 0.020 . . . . . A 43 ASN HA . 19449 1 490 . 1 1 43 43 ASN HB2 H 1 2.804 0.020 . . . . . A 43 ASN HB2 . 19449 1 491 . 1 1 43 43 ASN HB3 H 1 2.705 0.020 . . . . . A 43 ASN HB3 . 19449 1 492 . 1 1 43 43 ASN HD21 H 1 7.149 0.020 . . . . . A 43 ASN HD21 . 19449 1 493 . 1 1 43 43 ASN HD22 H 1 7.525 0.020 . . . . . A 43 ASN HD22 . 19449 1 494 . 1 1 43 43 ASN C C 13 176.455 0.400 . . . . . A 43 ASN C . 19449 1 495 . 1 1 43 43 ASN CA C 13 55.282 0.400 . . . . . A 43 ASN CA . 19449 1 496 . 1 1 43 43 ASN CB C 13 37.930 0.400 . . . . . A 43 ASN CB . 19449 1 497 . 1 1 43 43 ASN N N 15 118.260 0.400 . . . . . A 43 ASN N . 19449 1 498 . 1 1 43 43 ASN ND2 N 15 112.406 0.400 . . . . . A 43 ASN ND2 . 19449 1 499 . 1 1 44 44 GLY H H 1 8.697 0.020 . . . . . A 44 GLY H . 19449 1 500 . 1 1 44 44 GLY HA2 H 1 3.690 0.020 . . . . . A 44 GLY HA2 . 19449 1 501 . 1 1 44 44 GLY HA3 H 1 4.040 0.020 . . . . . A 44 GLY HA3 . 19449 1 502 . 1 1 44 44 GLY C C 13 173.888 0.400 . . . . . A 44 GLY C . 19449 1 503 . 1 1 44 44 GLY CA C 13 45.606 0.400 . . . . . A 44 GLY CA . 19449 1 504 . 1 1 44 44 GLY N N 15 111.528 0.400 . . . . . A 44 GLY N . 19449 1 505 . 1 1 45 45 LEU H H 1 7.565 0.020 . . . . . A 45 LEU H . 19449 1 506 . 1 1 45 45 LEU HA H 1 4.749 0.020 . . . . . A 45 LEU HA . 19449 1 507 . 1 1 45 45 LEU HB2 H 1 1.870 0.020 . . . . . A 45 LEU HB2 . 19449 1 508 . 1 1 45 45 LEU HB3 H 1 1.511 0.020 . . . . . A 45 LEU HB3 . 19449 1 509 . 1 1 45 45 LEU HG H 1 1.699 0.020 . . . . . A 45 LEU HG . 19449 1 510 . 1 1 45 45 LEU HD11 H 1 0.868 0.020 . . . . . A 45 LEU HD11 . 19449 1 511 . 1 1 45 45 LEU HD12 H 1 0.868 0.020 . . . . . A 45 LEU HD12 . 19449 1 512 . 1 1 45 45 LEU HD13 H 1 0.868 0.020 . . . . . A 45 LEU HD13 . 19449 1 513 . 1 1 45 45 LEU HD21 H 1 0.930 0.020 . . . . . A 45 LEU HD21 . 19449 1 514 . 1 1 45 45 LEU HD22 H 1 0.930 0.020 . . . . . A 45 LEU HD22 . 19449 1 515 . 1 1 45 45 LEU HD23 H 1 0.930 0.020 . . . . . A 45 LEU HD23 . 19449 1 516 . 1 1 45 45 LEU C C 13 178.175 0.400 . . . . . A 45 LEU C . 19449 1 517 . 1 1 45 45 LEU CA C 13 53.328 0.400 . . . . . A 45 LEU CA . 19449 1 518 . 1 1 45 45 LEU CB C 13 44.992 0.400 . . . . . A 45 LEU CB . 19449 1 519 . 1 1 45 45 LEU CG C 13 27.265 0.400 . . . . . A 45 LEU CG . 19449 1 520 . 1 1 45 45 LEU CD1 C 13 23.402 0.400 . . . . . A 45 LEU CD1 . 19449 1 521 . 1 1 45 45 LEU CD2 C 13 26.257 0.400 . . . . . A 45 LEU CD2 . 19449 1 522 . 1 1 45 45 LEU N N 15 120.387 0.400 . . . . . A 45 LEU N . 19449 1 523 . 1 1 46 46 SER H H 1 8.896 0.020 . . . . . A 46 SER H . 19449 1 524 . 1 1 46 46 SER HA H 1 4.313 0.020 . . . . . A 46 SER HA . 19449 1 525 . 1 1 46 46 SER HB2 H 1 4.180 0.020 . . . . . A 46 SER HB2 . 19449 1 526 . 1 1 46 46 SER HB3 H 1 3.986 0.020 . . . . . A 46 SER HB3 . 19449 1 527 . 1 1 46 46 SER C C 13 174.896 0.400 . . . . . A 46 SER C . 19449 1 528 . 1 1 46 46 SER CA C 13 57.022 0.400 . . . . . A 46 SER CA . 19449 1 529 . 1 1 46 46 SER CB C 13 64.252 0.400 . . . . . A 46 SER CB . 19449 1 530 . 1 1 46 46 SER N N 15 118.894 0.400 . . . . . A 46 SER N . 19449 1 531 . 1 1 47 47 LEU H H 1 8.720 0.020 . . . . . A 47 LEU H . 19449 1 532 . 1 1 47 47 LEU HA H 1 3.623 0.020 . . . . . A 47 LEU HA . 19449 1 533 . 1 1 47 47 LEU HB2 H 1 1.540 0.020 . . . . . A 47 LEU HB2 . 19449 1 534 . 1 1 47 47 LEU HB3 H 1 1.397 0.020 . . . . . A 47 LEU HB3 . 19449 1 535 . 1 1 47 47 LEU HG H 1 1.209 0.020 . . . . . A 47 LEU HG . 19449 1 536 . 1 1 47 47 LEU HD11 H 1 0.758 0.020 . . . . . A 47 LEU HD11 . 19449 1 537 . 1 1 47 47 LEU HD12 H 1 0.758 0.020 . . . . . A 47 LEU HD12 . 19449 1 538 . 1 1 47 47 LEU HD13 H 1 0.758 0.020 . . . . . A 47 LEU HD13 . 19449 1 539 . 1 1 47 47 LEU HD21 H 1 0.624 0.020 . . . . . A 47 LEU HD21 . 19449 1 540 . 1 1 47 47 LEU HD22 H 1 0.624 0.020 . . . . . A 47 LEU HD22 . 19449 1 541 . 1 1 47 47 LEU HD23 H 1 0.624 0.020 . . . . . A 47 LEU HD23 . 19449 1 542 . 1 1 47 47 LEU C C 13 179.220 0.400 . . . . . A 47 LEU C . 19449 1 543 . 1 1 47 47 LEU CA C 13 59.132 0.400 . . . . . A 47 LEU CA . 19449 1 544 . 1 1 47 47 LEU CB C 13 41.689 0.400 . . . . . A 47 LEU CB . 19449 1 545 . 1 1 47 47 LEU CG C 13 26.928 0.400 . . . . . A 47 LEU CG . 19449 1 546 . 1 1 47 47 LEU CD1 C 13 24.643 0.400 . . . . . A 47 LEU CD1 . 19449 1 547 . 1 1 47 47 LEU CD2 C 13 24.228 0.400 . . . . . A 47 LEU CD2 . 19449 1 548 . 1 1 47 47 LEU N N 15 124.460 0.400 . . . . . A 47 LEU N . 19449 1 549 . 1 1 48 48 ILE H H 1 7.920 0.020 . . . . . A 48 ILE H . 19449 1 550 . 1 1 48 48 ILE HA H 1 3.630 0.020 . . . . . A 48 ILE HA . 19449 1 551 . 1 1 48 48 ILE HB H 1 1.591 0.020 . . . . . A 48 ILE HB . 19449 1 552 . 1 1 48 48 ILE HG12 H 1 1.433 0.020 . . . . . A 48 ILE HG12 . 19449 1 553 . 1 1 48 48 ILE HG13 H 1 1.094 0.020 . . . . . A 48 ILE HG13 . 19449 1 554 . 1 1 48 48 ILE HG21 H 1 0.781 0.020 . . . . . A 48 ILE HG21 . 19449 1 555 . 1 1 48 48 ILE HG22 H 1 0.781 0.020 . . . . . A 48 ILE HG22 . 19449 1 556 . 1 1 48 48 ILE HG23 H 1 0.781 0.020 . . . . . A 48 ILE HG23 . 19449 1 557 . 1 1 48 48 ILE HD11 H 1 0.776 0.020 . . . . . A 48 ILE HD11 . 19449 1 558 . 1 1 48 48 ILE HD12 H 1 0.776 0.020 . . . . . A 48 ILE HD12 . 19449 1 559 . 1 1 48 48 ILE HD13 H 1 0.776 0.020 . . . . . A 48 ILE HD13 . 19449 1 560 . 1 1 48 48 ILE C C 13 178.433 0.400 . . . . . A 48 ILE C . 19449 1 561 . 1 1 48 48 ILE CA C 13 64.200 0.400 . . . . . A 48 ILE CA . 19449 1 562 . 1 1 48 48 ILE CB C 13 37.899 0.400 . . . . . A 48 ILE CB . 19449 1 563 . 1 1 48 48 ILE CG1 C 13 28.964 0.400 . . . . . A 48 ILE CG1 . 19449 1 564 . 1 1 48 48 ILE CG2 C 13 16.990 0.400 . . . . . A 48 ILE CG2 . 19449 1 565 . 1 1 48 48 ILE CD1 C 13 13.001 0.400 . . . . . A 48 ILE CD1 . 19449 1 566 . 1 1 48 48 ILE N N 15 115.654 0.400 . . . . . A 48 ILE N . 19449 1 567 . 1 1 49 49 ASN H H 1 7.449 0.020 . . . . . A 49 ASN H . 19449 1 568 . 1 1 49 49 ASN HA H 1 4.651 0.020 . . . . . A 49 ASN HA . 19449 1 569 . 1 1 49 49 ASN HB2 H 1 2.716 0.020 . . . . . A 49 ASN HB2 . 19449 1 570 . 1 1 49 49 ASN HB3 H 1 2.846 0.020 . . . . . A 49 ASN HB3 . 19449 1 571 . 1 1 49 49 ASN HD21 H 1 7.748 0.020 . . . . . A 49 ASN HD21 . 19449 1 572 . 1 1 49 49 ASN HD22 H 1 7.002 0.020 . . . . . A 49 ASN HD22 . 19449 1 573 . 1 1 49 49 ASN C C 13 178.478 0.400 . . . . . A 49 ASN C . 19449 1 574 . 1 1 49 49 ASN CA C 13 55.696 0.400 . . . . . A 49 ASN CA . 19449 1 575 . 1 1 49 49 ASN CB C 13 37.894 0.400 . . . . . A 49 ASN CB . 19449 1 576 . 1 1 49 49 ASN N N 15 120.529 0.400 . . . . . A 49 ASN N . 19449 1 577 . 1 1 49 49 ASN ND2 N 15 112.908 0.400 . . . . . A 49 ASN ND2 . 19449 1 578 . 1 1 50 50 GLN H H 1 8.664 0.020 . . . . . A 50 GLN H . 19449 1 579 . 1 1 50 50 GLN HA H 1 3.859 0.020 . . . . . A 50 GLN HA . 19449 1 580 . 1 1 50 50 GLN HB2 H 1 1.388 0.020 . . . . . A 50 GLN HB2 . 19449 1 581 . 1 1 50 50 GLN HB3 H 1 2.168 0.020 . . . . . A 50 GLN HB3 . 19449 1 582 . 1 1 50 50 GLN HG2 H 1 2.116 0.020 . . . . . A 50 GLN HG2 . 19449 1 583 . 1 1 50 50 GLN HG3 H 1 2.764 0.020 . . . . . A 50 GLN HG3 . 19449 1 584 . 1 1 50 50 GLN HE21 H 1 7.196 0.020 . . . . . A 50 GLN HE21 . 19449 1 585 . 1 1 50 50 GLN HE22 H 1 6.696 0.020 . . . . . A 50 GLN HE22 . 19449 1 586 . 1 1 50 50 GLN C C 13 177.657 0.400 . . . . . A 50 GLN C . 19449 1 587 . 1 1 50 50 GLN CA C 13 59.646 0.400 . . . . . A 50 GLN CA . 19449 1 588 . 1 1 50 50 GLN CB C 13 27.921 0.400 . . . . . A 50 GLN CB . 19449 1 589 . 1 1 50 50 GLN CG C 13 34.617 0.400 . . . . . A 50 GLN CG . 19449 1 590 . 1 1 50 50 GLN N N 15 122.483 0.400 . . . . . A 50 GLN N . 19449 1 591 . 1 1 50 50 GLN NE2 N 15 111.847 0.400 . . . . . A 50 GLN NE2 . 19449 1 592 . 1 1 51 51 HIS H H 1 8.206 0.020 . . . . . A 51 HIS H . 19449 1 593 . 1 1 51 51 HIS HA H 1 3.871 0.020 . . . . . A 51 HIS HA . 19449 1 594 . 1 1 51 51 HIS HB2 H 1 2.884 0.020 . . . . . A 51 HIS HB2 . 19449 1 595 . 1 1 51 51 HIS HB3 H 1 3.125 0.020 . . . . . A 51 HIS HB3 . 19449 1 596 . 1 1 51 51 HIS CA C 13 59.635 0.400 . . . . . A 51 HIS CA . 19449 1 597 . 1 1 51 51 HIS CB C 13 30.111 0.400 . . . . . A 51 HIS CB . 19449 1 598 . 1 1 51 51 HIS N N 15 116.297 0.400 . . . . . A 51 HIS N . 19449 1 599 . 1 1 52 52 LYS H H 1 8.282 0.020 . . . . . A 52 LYS H . 19449 1 600 . 1 1 52 52 LYS HA H 1 3.854 0.020 . . . . . A 52 LYS HA . 19449 1 601 . 1 1 52 52 LYS HB3 H 1 1.928 0.020 . . . . . A 52 LYS HB3 . 19449 1 602 . 1 1 52 52 LYS HG3 H 1 1.365 0.020 . . . . . A 52 LYS HG3 . 19449 1 603 . 1 1 52 52 LYS HD3 H 1 1.680 0.020 . . . . . A 52 LYS HD3 . 19449 1 604 . 1 1 52 52 LYS HE3 H 1 2.869 0.020 . . . . . A 52 LYS HE3 . 19449 1 605 . 1 1 52 52 LYS C C 13 178.162 0.400 . . . . . A 52 LYS C . 19449 1 606 . 1 1 52 52 LYS CA C 13 60.085 0.400 . . . . . A 52 LYS CA . 19449 1 607 . 1 1 52 52 LYS CB C 13 32.652 0.400 . . . . . A 52 LYS CB . 19449 1 608 . 1 1 52 52 LYS CG C 13 25.227 0.400 . . . . . A 52 LYS CG . 19449 1 609 . 1 1 52 52 LYS CD C 13 29.369 0.400 . . . . . A 52 LYS CD . 19449 1 610 . 1 1 52 52 LYS CE C 13 41.738 0.400 . . . . . A 52 LYS CE . 19449 1 611 . 1 1 52 52 LYS N N 15 120.443 0.400 . . . . . A 52 LYS N . 19449 1 612 . 1 1 53 53 LEU H H 1 7.528 0.020 . . . . . A 53 LEU H . 19449 1 613 . 1 1 53 53 LEU HA H 1 4.121 0.020 . . . . . A 53 LEU HA . 19449 1 614 . 1 1 53 53 LEU HB2 H 1 2.275 0.020 . . . . . A 53 LEU HB2 . 19449 1 615 . 1 1 53 53 LEU HB3 H 1 1.762 0.020 . . . . . A 53 LEU HB3 . 19449 1 616 . 1 1 53 53 LEU HG H 1 2.008 0.020 . . . . . A 53 LEU HG . 19449 1 617 . 1 1 53 53 LEU HD11 H 1 0.990 0.020 . . . . . A 53 LEU HD11 . 19449 1 618 . 1 1 53 53 LEU HD12 H 1 0.990 0.020 . . . . . A 53 LEU HD12 . 19449 1 619 . 1 1 53 53 LEU HD13 H 1 0.990 0.020 . . . . . A 53 LEU HD13 . 19449 1 620 . 1 1 53 53 LEU HD21 H 1 0.906 0.020 . . . . . A 53 LEU HD21 . 19449 1 621 . 1 1 53 53 LEU HD22 H 1 0.906 0.020 . . . . . A 53 LEU HD22 . 19449 1 622 . 1 1 53 53 LEU HD23 H 1 0.906 0.020 . . . . . A 53 LEU HD23 . 19449 1 623 . 1 1 53 53 LEU C C 13 180.570 0.400 . . . . . A 53 LEU C . 19449 1 624 . 1 1 53 53 LEU CA C 13 58.188 0.400 . . . . . A 53 LEU CA . 19449 1 625 . 1 1 53 53 LEU CB C 13 42.854 0.400 . . . . . A 53 LEU CB . 19449 1 626 . 1 1 53 53 LEU CG C 13 26.651 0.400 . . . . . A 53 LEU CG . 19449 1 627 . 1 1 53 53 LEU CD1 C 13 23.279 0.400 . . . . . A 53 LEU CD1 . 19449 1 628 . 1 1 53 53 LEU CD2 C 13 25.663 0.400 . . . . . A 53 LEU CD2 . 19449 1 629 . 1 1 53 53 LEU N N 15 117.663 0.400 . . . . . A 53 LEU N . 19449 1 630 . 1 1 54 54 VAL H H 1 7.286 0.020 . . . . . A 54 VAL H . 19449 1 631 . 1 1 54 54 VAL HA H 1 3.650 0.020 . . . . . A 54 VAL HA . 19449 1 632 . 1 1 54 54 VAL HB H 1 1.980 0.020 . . . . . A 54 VAL HB . 19449 1 633 . 1 1 54 54 VAL HG11 H 1 0.652 0.020 . . . . . A 54 VAL HG11 . 19449 1 634 . 1 1 54 54 VAL HG12 H 1 0.652 0.020 . . . . . A 54 VAL HG12 . 19449 1 635 . 1 1 54 54 VAL HG13 H 1 0.652 0.020 . . . . . A 54 VAL HG13 . 19449 1 636 . 1 1 54 54 VAL HG21 H 1 0.774 0.020 . . . . . A 54 VAL HG21 . 19449 1 637 . 1 1 54 54 VAL HG22 H 1 0.774 0.020 . . . . . A 54 VAL HG22 . 19449 1 638 . 1 1 54 54 VAL HG23 H 1 0.774 0.020 . . . . . A 54 VAL HG23 . 19449 1 639 . 1 1 54 54 VAL C C 13 177.185 0.400 . . . . . A 54 VAL C . 19449 1 640 . 1 1 54 54 VAL CA C 13 66.678 0.400 . . . . . A 54 VAL CA . 19449 1 641 . 1 1 54 54 VAL CB C 13 31.630 0.400 . . . . . A 54 VAL CB . 19449 1 642 . 1 1 54 54 VAL CG1 C 13 22.001 0.400 . . . . . A 54 VAL CG1 . 19449 1 643 . 1 1 54 54 VAL CG2 C 13 23.354 0.400 . . . . . A 54 VAL CG2 . 19449 1 644 . 1 1 54 54 VAL N N 15 118.963 0.400 . . . . . A 54 VAL N . 19449 1 645 . 1 1 55 55 LYS H H 1 8.539 0.020 . . . . . A 55 LYS H . 19449 1 646 . 1 1 55 55 LYS HA H 1 3.585 0.020 . . . . . A 55 LYS HA . 19449 1 647 . 1 1 55 55 LYS HB2 H 1 1.732 0.020 . . . . . A 55 LYS HB2 . 19449 1 648 . 1 1 55 55 LYS HG2 H 1 1.455 0.020 . . . . . A 55 LYS HG2 . 19449 1 649 . 1 1 55 55 LYS HG3 H 1 1.073 0.020 . . . . . A 55 LYS HG3 . 19449 1 650 . 1 1 55 55 LYS HD3 H 1 1.553 0.020 . . . . . A 55 LYS HD3 . 19449 1 651 . 1 1 55 55 LYS HE3 H 1 2.788 0.020 . . . . . A 55 LYS HE3 . 19449 1 652 . 1 1 55 55 LYS C C 13 179.976 0.400 . . . . . A 55 LYS C . 19449 1 653 . 1 1 55 55 LYS CA C 13 60.866 0.400 . . . . . A 55 LYS CA . 19449 1 654 . 1 1 55 55 LYS CB C 13 31.743 0.400 . . . . . A 55 LYS CB . 19449 1 655 . 1 1 55 55 LYS CG C 13 26.570 0.400 . . . . . A 55 LYS CG . 19449 1 656 . 1 1 55 55 LYS CD C 13 29.380 0.400 . . . . . A 55 LYS CD . 19449 1 657 . 1 1 55 55 LYS CE C 13 41.893 0.400 . . . . . A 55 LYS CE . 19449 1 658 . 1 1 55 55 LYS N N 15 119.061 0.400 . . . . . A 55 LYS N . 19449 1 659 . 1 1 56 56 ASN H H 1 8.640 0.020 . . . . . A 56 ASN H . 19449 1 660 . 1 1 56 56 ASN HA H 1 4.348 0.020 . . . . . A 56 ASN HA . 19449 1 661 . 1 1 56 56 ASN HB2 H 1 2.855 0.020 . . . . . A 56 ASN HB2 . 19449 1 662 . 1 1 56 56 ASN HB3 H 1 2.793 0.020 . . . . . A 56 ASN HB3 . 19449 1 663 . 1 1 56 56 ASN HD21 H 1 7.664 0.020 . . . . . A 56 ASN HD21 . 19449 1 664 . 1 1 56 56 ASN HD22 H 1 6.754 0.020 . . . . . A 56 ASN HD22 . 19449 1 665 . 1 1 56 56 ASN C C 13 178.363 0.400 . . . . . A 56 ASN C . 19449 1 666 . 1 1 56 56 ASN CA C 13 55.925 0.400 . . . . . A 56 ASN CA . 19449 1 667 . 1 1 56 56 ASN CB C 13 37.643 0.400 . . . . . A 56 ASN CB . 19449 1 668 . 1 1 56 56 ASN N N 15 117.807 0.400 . . . . . A 56 ASN N . 19449 1 669 . 1 1 56 56 ASN ND2 N 15 110.816 0.400 . . . . . A 56 ASN ND2 . 19449 1 670 . 1 1 57 57 ALA H H 1 7.436 0.020 . . . . . A 57 ALA H . 19449 1 671 . 1 1 57 57 ALA HA H 1 4.153 0.020 . . . . . A 57 ALA HA . 19449 1 672 . 1 1 57 57 ALA HB1 H 1 1.633 0.020 . . . . . A 57 ALA HB1 . 19449 1 673 . 1 1 57 57 ALA HB2 H 1 1.633 0.020 . . . . . A 57 ALA HB2 . 19449 1 674 . 1 1 57 57 ALA HB3 H 1 1.633 0.020 . . . . . A 57 ALA HB3 . 19449 1 675 . 1 1 57 57 ALA C C 13 178.976 0.400 . . . . . A 57 ALA C . 19449 1 676 . 1 1 57 57 ALA CA C 13 54.504 0.400 . . . . . A 57 ALA CA . 19449 1 677 . 1 1 57 57 ALA CB C 13 19.003 0.400 . . . . . A 57 ALA CB . 19449 1 678 . 1 1 57 57 ALA N N 15 122.142 0.400 . . . . . A 57 ALA N . 19449 1 679 . 1 1 58 58 LEU H H 1 7.458 0.020 . . . . . A 58 LEU H . 19449 1 680 . 1 1 58 58 LEU HA H 1 4.344 0.020 . . . . . A 58 LEU HA . 19449 1 681 . 1 1 58 58 LEU HB2 H 1 1.553 0.020 . . . . . A 58 LEU HB2 . 19449 1 682 . 1 1 58 58 LEU HB3 H 1 1.699 0.020 . . . . . A 58 LEU HB3 . 19449 1 683 . 1 1 58 58 LEU HG H 1 1.766 0.020 . . . . . A 58 LEU HG . 19449 1 684 . 1 1 58 58 LEU HD11 H 1 0.611 0.020 . . . . . A 58 LEU HD11 . 19449 1 685 . 1 1 58 58 LEU HD12 H 1 0.611 0.020 . . . . . A 58 LEU HD12 . 19449 1 686 . 1 1 58 58 LEU HD13 H 1 0.611 0.020 . . . . . A 58 LEU HD13 . 19449 1 687 . 1 1 58 58 LEU HD21 H 1 0.609 0.020 . . . . . A 58 LEU HD21 . 19449 1 688 . 1 1 58 58 LEU HD22 H 1 0.609 0.020 . . . . . A 58 LEU HD22 . 19449 1 689 . 1 1 58 58 LEU HD23 H 1 0.609 0.020 . . . . . A 58 LEU HD23 . 19449 1 690 . 1 1 58 58 LEU C C 13 177.792 0.400 . . . . . A 58 LEU C . 19449 1 691 . 1 1 58 58 LEU CA C 13 53.791 0.400 . . . . . A 58 LEU CA . 19449 1 692 . 1 1 58 58 LEU CB C 13 42.566 0.400 . . . . . A 58 LEU CB . 19449 1 693 . 1 1 58 58 LEU CG C 13 26.009 0.400 . . . . . A 58 LEU CG . 19449 1 694 . 1 1 58 58 LEU CD1 C 13 26.343 0.400 . . . . . A 58 LEU CD1 . 19449 1 695 . 1 1 58 58 LEU CD2 C 13 22.869 0.400 . . . . . A 58 LEU CD2 . 19449 1 696 . 1 1 58 58 LEU N N 15 115.109 0.400 . . . . . A 58 LEU N . 19449 1 697 . 1 1 59 59 SER H H 1 7.559 0.020 . . . . . A 59 SER H . 19449 1 698 . 1 1 59 59 SER HA H 1 3.967 0.020 . . . . . A 59 SER HA . 19449 1 699 . 1 1 59 59 SER C C 13 175.721 0.400 . . . . . A 59 SER C . 19449 1 700 . 1 1 59 59 SER CA C 13 62.464 0.400 . . . . . A 59 SER CA . 19449 1 701 . 1 1 59 59 SER CB C 13 63.058 0.400 . . . . . A 59 SER CB . 19449 1 702 . 1 1 59 59 SER N N 15 117.442 0.400 . . . . . A 59 SER N . 19449 1 703 . 1 1 60 60 GLU H H 1 8.491 0.020 . . . . . A 60 GLU H . 19449 1 704 . 1 1 60 60 GLU HA H 1 4.149 0.020 . . . . . A 60 GLU HA . 19449 1 705 . 1 1 60 60 GLU HB2 H 1 1.954 0.020 . . . . . A 60 GLU HB2 . 19449 1 706 . 1 1 60 60 GLU HB3 H 1 2.008 0.020 . . . . . A 60 GLU HB3 . 19449 1 707 . 1 1 60 60 GLU HG2 H 1 2.123 0.020 . . . . . A 60 GLU HG2 . 19449 1 708 . 1 1 60 60 GLU HG3 H 1 2.213 0.020 . . . . . A 60 GLU HG3 . 19449 1 709 . 1 1 60 60 GLU C C 13 177.223 0.400 . . . . . A 60 GLU C . 19449 1 710 . 1 1 60 60 GLU CA C 13 58.231 0.400 . . . . . A 60 GLU CA . 19449 1 711 . 1 1 60 60 GLU CB C 13 29.811 0.400 . . . . . A 60 GLU CB . 19449 1 712 . 1 1 60 60 GLU CG C 13 36.525 0.400 . . . . . A 60 GLU CG . 19449 1 713 . 1 1 60 60 GLU N N 15 118.774 0.400 . . . . . A 60 GLU N . 19449 1 714 . 1 1 61 61 ILE H H 1 7.582 0.020 . . . . . A 61 ILE H . 19449 1 715 . 1 1 61 61 ILE HA H 1 4.260 0.020 . . . . . A 61 ILE HA . 19449 1 716 . 1 1 61 61 ILE HB H 1 1.799 0.020 . . . . . A 61 ILE HB . 19449 1 717 . 1 1 61 61 ILE HG12 H 1 1.357 0.020 . . . . . A 61 ILE HG12 . 19449 1 718 . 1 1 61 61 ILE HG13 H 1 1.145 0.020 . . . . . A 61 ILE HG13 . 19449 1 719 . 1 1 61 61 ILE HG21 H 1 0.800 0.020 . . . . . A 61 ILE HG21 . 19449 1 720 . 1 1 61 61 ILE HG22 H 1 0.800 0.020 . . . . . A 61 ILE HG22 . 19449 1 721 . 1 1 61 61 ILE HG23 H 1 0.800 0.020 . . . . . A 61 ILE HG23 . 19449 1 722 . 1 1 61 61 ILE HD11 H 1 0.740 0.020 . . . . . A 61 ILE HD11 . 19449 1 723 . 1 1 61 61 ILE HD12 H 1 0.740 0.020 . . . . . A 61 ILE HD12 . 19449 1 724 . 1 1 61 61 ILE HD13 H 1 0.740 0.020 . . . . . A 61 ILE HD13 . 19449 1 725 . 1 1 61 61 ILE C C 13 177.352 0.400 . . . . . A 61 ILE C . 19449 1 726 . 1 1 61 61 ILE CA C 13 61.434 0.400 . . . . . A 61 ILE CA . 19449 1 727 . 1 1 61 61 ILE CB C 13 39.900 0.400 . . . . . A 61 ILE CB . 19449 1 728 . 1 1 61 61 ILE CG1 C 13 27.150 0.400 . . . . . A 61 ILE CG1 . 19449 1 729 . 1 1 61 61 ILE CG2 C 13 18.498 0.400 . . . . . A 61 ILE CG2 . 19449 1 730 . 1 1 61 61 ILE CD1 C 13 14.097 0.400 . . . . . A 61 ILE CD1 . 19449 1 731 . 1 1 61 61 ILE N N 15 112.097 0.400 . . . . . A 61 ILE N . 19449 1 732 . 1 1 62 62 LEU H H 1 8.113 0.020 . . . . . A 62 LEU H . 19449 1 733 . 1 1 62 62 LEU HA H 1 4.193 0.020 . . . . . A 62 LEU HA . 19449 1 734 . 1 1 62 62 LEU HB2 H 1 1.490 0.020 . . . . . A 62 LEU HB2 . 19449 1 735 . 1 1 62 62 LEU HG H 1 1.489 0.020 . . . . . A 62 LEU HG . 19449 1 736 . 1 1 62 62 LEU HD11 H 1 0.776 0.020 . . . . . A 62 LEU HD11 . 19449 1 737 . 1 1 62 62 LEU HD12 H 1 0.776 0.020 . . . . . A 62 LEU HD12 . 19449 1 738 . 1 1 62 62 LEU HD13 H 1 0.776 0.020 . . . . . A 62 LEU HD13 . 19449 1 739 . 1 1 62 62 LEU HD21 H 1 0.749 0.020 . . . . . A 62 LEU HD21 . 19449 1 740 . 1 1 62 62 LEU HD22 H 1 0.749 0.020 . . . . . A 62 LEU HD22 . 19449 1 741 . 1 1 62 62 LEU HD23 H 1 0.749 0.020 . . . . . A 62 LEU HD23 . 19449 1 742 . 1 1 62 62 LEU C C 13 177.476 0.400 . . . . . A 62 LEU C . 19449 1 743 . 1 1 62 62 LEU CA C 13 56.609 0.400 . . . . . A 62 LEU CA . 19449 1 744 . 1 1 62 62 LEU CB C 13 41.516 0.400 . . . . . A 62 LEU CB . 19449 1 745 . 1 1 62 62 LEU CG C 13 26.497 0.400 . . . . . A 62 LEU CG . 19449 1 746 . 1 1 62 62 LEU CD1 C 13 24.941 0.400 . . . . . A 62 LEU CD1 . 19449 1 747 . 1 1 62 62 LEU CD2 C 13 23.336 0.400 . . . . . A 62 LEU CD2 . 19449 1 748 . 1 1 62 62 LEU N N 15 124.848 0.400 . . . . . A 62 LEU N . 19449 1 749 . 1 1 63 63 ASN H H 1 8.507 0.020 . . . . . A 63 ASN H . 19449 1 750 . 1 1 63 63 ASN HA H 1 4.251 0.020 . . . . . A 63 ASN HA . 19449 1 751 . 1 1 63 63 ASN HB2 H 1 2.965 0.020 . . . . . A 63 ASN HB2 . 19449 1 752 . 1 1 63 63 ASN HB3 H 1 2.875 0.020 . . . . . A 63 ASN HB3 . 19449 1 753 . 1 1 63 63 ASN HD21 H 1 6.878 0.020 . . . . . A 63 ASN HD21 . 19449 1 754 . 1 1 63 63 ASN HD22 H 1 7.577 0.020 . . . . . A 63 ASN HD22 . 19449 1 755 . 1 1 63 63 ASN C C 13 174.911 0.400 . . . . . A 63 ASN C . 19449 1 756 . 1 1 63 63 ASN CA C 13 55.685 0.400 . . . . . A 63 ASN CA . 19449 1 757 . 1 1 63 63 ASN CB C 13 37.948 0.400 . . . . . A 63 ASN CB . 19449 1 758 . 1 1 63 63 ASN N N 15 117.202 0.400 . . . . . A 63 ASN N . 19449 1 759 . 1 1 63 63 ASN ND2 N 15 113.180 0.400 . . . . . A 63 ASN ND2 . 19449 1 760 . 1 1 64 64 LYS H H 1 7.691 0.020 . . . . . A 64 LYS H . 19449 1 761 . 1 1 64 64 LYS HA H 1 4.265 0.020 . . . . . A 64 LYS HA . 19449 1 762 . 1 1 64 64 LYS HB2 H 1 1.782 0.020 . . . . . A 64 LYS HB2 . 19449 1 763 . 1 1 64 64 LYS HB3 H 1 1.549 0.020 . . . . . A 64 LYS HB3 . 19449 1 764 . 1 1 64 64 LYS HG2 H 1 1.342 0.020 . . . . . A 64 LYS HG2 . 19449 1 765 . 1 1 64 64 LYS HG3 H 1 1.313 0.020 . . . . . A 64 LYS HG3 . 19449 1 766 . 1 1 64 64 LYS HD3 H 1 1.606 0.020 . . . . . A 64 LYS HD3 . 19449 1 767 . 1 1 64 64 LYS HE3 H 1 2.901 0.020 . . . . . A 64 LYS HE3 . 19449 1 768 . 1 1 64 64 LYS C C 13 175.964 0.400 . . . . . A 64 LYS C . 19449 1 769 . 1 1 64 64 LYS CA C 13 57.592 0.400 . . . . . A 64 LYS CA . 19449 1 770 . 1 1 64 64 LYS CB C 13 33.841 0.400 . . . . . A 64 LYS CB . 19449 1 771 . 1 1 64 64 LYS CG C 13 24.978 0.400 . . . . . A 64 LYS CG . 19449 1 772 . 1 1 64 64 LYS CD C 13 29.116 0.400 . . . . . A 64 LYS CD . 19449 1 773 . 1 1 64 64 LYS CE C 13 41.891 0.400 . . . . . A 64 LYS CE . 19449 1 774 . 1 1 64 64 LYS N N 15 118.109 0.400 . . . . . A 64 LYS N . 19449 1 775 . 1 1 65 65 LYS H H 1 7.805 0.020 . . . . . A 65 LYS H . 19449 1 776 . 1 1 65 65 LYS HA H 1 4.329 0.020 . . . . . A 65 LYS HA . 19449 1 777 . 1 1 65 65 LYS HB2 H 1 1.835 0.020 . . . . . A 65 LYS HB2 . 19449 1 778 . 1 1 65 65 LYS HB3 H 1 1.550 0.020 . . . . . A 65 LYS HB3 . 19449 1 779 . 1 1 65 65 LYS HG3 H 1 1.314 0.020 . . . . . A 65 LYS HG3 . 19449 1 780 . 1 1 65 65 LYS HD3 H 1 1.381 0.020 . . . . . A 65 LYS HD3 . 19449 1 781 . 1 1 65 65 LYS HE3 H 1 2.877 0.020 . . . . . A 65 LYS HE3 . 19449 1 782 . 1 1 65 65 LYS C C 13 174.912 0.400 . . . . . A 65 LYS C . 19449 1 783 . 1 1 65 65 LYS CA C 13 56.422 0.400 . . . . . A 65 LYS CA . 19449 1 784 . 1 1 65 65 LYS CB C 13 34.292 0.400 . . . . . A 65 LYS CB . 19449 1 785 . 1 1 65 65 LYS CG C 13 25.246 0.400 . . . . . A 65 LYS CG . 19449 1 786 . 1 1 65 65 LYS CD C 13 29.328 0.400 . . . . . A 65 LYS CD . 19449 1 787 . 1 1 65 65 LYS CE C 13 41.967 0.400 . . . . . A 65 LYS CE . 19449 1 788 . 1 1 65 65 LYS N N 15 116.060 0.400 . . . . . A 65 LYS N . 19449 1 789 . 1 1 66 66 LEU H H 1 7.386 0.020 . . . . . A 66 LEU H . 19449 1 790 . 1 1 66 66 LEU HA H 1 4.483 0.020 . . . . . A 66 LEU HA . 19449 1 791 . 1 1 66 66 LEU HB2 H 1 1.337 0.020 . . . . . A 66 LEU HB2 . 19449 1 792 . 1 1 66 66 LEU HB3 H 1 1.454 0.020 . . . . . A 66 LEU HB3 . 19449 1 793 . 1 1 66 66 LEU HD11 H 1 0.773 0.020 . . . . . A 66 LEU HD11 . 19449 1 794 . 1 1 66 66 LEU HD12 H 1 0.773 0.020 . . . . . A 66 LEU HD12 . 19449 1 795 . 1 1 66 66 LEU HD13 H 1 0.773 0.020 . . . . . A 66 LEU HD13 . 19449 1 796 . 1 1 66 66 LEU HD21 H 1 0.900 0.020 . . . . . A 66 LEU HD21 . 19449 1 797 . 1 1 66 66 LEU HD22 H 1 0.900 0.020 . . . . . A 66 LEU HD22 . 19449 1 798 . 1 1 66 66 LEU HD23 H 1 0.900 0.020 . . . . . A 66 LEU HD23 . 19449 1 799 . 1 1 66 66 LEU CA C 13 54.089 0.400 . . . . . A 66 LEU CA . 19449 1 800 . 1 1 66 66 LEU CB C 13 43.732 0.400 . . . . . A 66 LEU CB . 19449 1 801 . 1 1 66 66 LEU N N 15 118.796 0.400 . . . . . A 66 LEU N . 19449 1 802 . 1 1 67 67 HIS HA H 1 4.531 0.020 . . . . . A 67 HIS HA . 19449 1 803 . 1 1 67 67 HIS HB2 H 1 3.034 0.020 . . . . . A 67 HIS HB2 . 19449 1 804 . 1 1 67 67 HIS HB3 H 1 3.155 0.020 . . . . . A 67 HIS HB3 . 19449 1 805 . 1 1 67 67 HIS CA C 13 57.560 0.400 . . . . . A 67 HIS CA . 19449 1 806 . 1 1 67 67 HIS CB C 13 29.560 0.400 . . . . . A 67 HIS CB . 19449 1 807 . 1 1 68 68 SER H H 1 7.505 0.020 . . . . . A 68 SER H . 19449 1 808 . 1 1 68 68 SER HA H 1 4.521 0.020 . . . . . A 68 SER HA . 19449 1 809 . 1 1 68 68 SER HB2 H 1 3.726 0.020 . . . . . A 68 SER HB2 . 19449 1 810 . 1 1 68 68 SER HB3 H 1 3.598 0.020 . . . . . A 68 SER HB3 . 19449 1 811 . 1 1 68 68 SER C C 13 172.449 0.400 . . . . . A 68 SER C . 19449 1 812 . 1 1 68 68 SER CA C 13 57.887 0.400 . . . . . A 68 SER CA . 19449 1 813 . 1 1 68 68 SER CB C 13 63.781 0.400 . . . . . A 68 SER CB . 19449 1 814 . 1 1 68 68 SER N N 15 113.247 0.400 . . . . . A 68 SER N . 19449 1 815 . 1 1 69 69 ILE H H 1 8.172 0.020 . . . . . A 69 ILE H . 19449 1 816 . 1 1 69 69 ILE HA H 1 4.960 0.020 . . . . . A 69 ILE HA . 19449 1 817 . 1 1 69 69 ILE HB H 1 1.627 0.020 . . . . . A 69 ILE HB . 19449 1 818 . 1 1 69 69 ILE HG12 H 1 1.395 0.020 . . . . . A 69 ILE HG12 . 19449 1 819 . 1 1 69 69 ILE HG13 H 1 0.869 0.020 . . . . . A 69 ILE HG13 . 19449 1 820 . 1 1 69 69 ILE HG21 H 1 0.669 0.020 . . . . . A 69 ILE HG21 . 19449 1 821 . 1 1 69 69 ILE HG22 H 1 0.669 0.020 . . . . . A 69 ILE HG22 . 19449 1 822 . 1 1 69 69 ILE HG23 H 1 0.669 0.020 . . . . . A 69 ILE HG23 . 19449 1 823 . 1 1 69 69 ILE HD11 H 1 0.630 0.020 . . . . . A 69 ILE HD11 . 19449 1 824 . 1 1 69 69 ILE HD12 H 1 0.630 0.020 . . . . . A 69 ILE HD12 . 19449 1 825 . 1 1 69 69 ILE HD13 H 1 0.630 0.020 . . . . . A 69 ILE HD13 . 19449 1 826 . 1 1 69 69 ILE C C 13 173.796 0.400 . . . . . A 69 ILE C . 19449 1 827 . 1 1 69 69 ILE CA C 13 59.254 0.400 . . . . . A 69 ILE CA . 19449 1 828 . 1 1 69 69 ILE CB C 13 41.297 0.400 . . . . . A 69 ILE CB . 19449 1 829 . 1 1 69 69 ILE CG1 C 13 27.766 0.400 . . . . . A 69 ILE CG1 . 19449 1 830 . 1 1 69 69 ILE CG2 C 13 16.248 0.400 . . . . . A 69 ILE CG2 . 19449 1 831 . 1 1 69 69 ILE CD1 C 13 14.751 0.400 . . . . . A 69 ILE CD1 . 19449 1 832 . 1 1 69 69 ILE N N 15 122.511 0.400 . . . . . A 69 ILE N . 19449 1 833 . 1 1 70 70 SER H H 1 8.428 0.020 . . . . . A 70 SER H . 19449 1 834 . 1 1 70 70 SER HA H 1 4.683 0.020 . . . . . A 70 SER HA . 19449 1 835 . 1 1 70 70 SER HB3 H 1 3.773 0.020 . . . . . A 70 SER HB3 . 19449 1 836 . 1 1 70 70 SER C C 13 173.443 0.400 . . . . . A 70 SER C . 19449 1 837 . 1 1 70 70 SER CA C 13 56.687 0.400 . . . . . A 70 SER CA . 19449 1 838 . 1 1 70 70 SER CB C 13 64.027 0.400 . . . . . A 70 SER CB . 19449 1 839 . 1 1 70 70 SER N N 15 122.242 0.400 . . . . . A 70 SER N . 19449 1 840 . 1 1 71 71 ILE H H 1 8.615 0.020 . . . . . A 71 ILE H . 19449 1 841 . 1 1 71 71 ILE HA H 1 4.169 0.020 . . . . . A 71 ILE HA . 19449 1 842 . 1 1 71 71 ILE HB H 1 1.200 0.020 . . . . . A 71 ILE HB . 19449 1 843 . 1 1 71 71 ILE HG12 H 1 0.466 0.020 . . . . . A 71 ILE HG12 . 19449 1 844 . 1 1 71 71 ILE HG13 H 1 1.408 0.020 . . . . . A 71 ILE HG13 . 19449 1 845 . 1 1 71 71 ILE HG21 H 1 0.186 0.020 . . . . . A 71 ILE HG21 . 19449 1 846 . 1 1 71 71 ILE HG22 H 1 0.186 0.020 . . . . . A 71 ILE HG22 . 19449 1 847 . 1 1 71 71 ILE HG23 H 1 0.186 0.020 . . . . . A 71 ILE HG23 . 19449 1 848 . 1 1 71 71 ILE HD11 H 1 0.553 0.020 . . . . . A 71 ILE HD11 . 19449 1 849 . 1 1 71 71 ILE HD12 H 1 0.553 0.020 . . . . . A 71 ILE HD12 . 19449 1 850 . 1 1 71 71 ILE HD13 H 1 0.553 0.020 . . . . . A 71 ILE HD13 . 19449 1 851 . 1 1 71 71 ILE C C 13 173.769 0.400 . . . . . A 71 ILE C . 19449 1 852 . 1 1 71 71 ILE CA C 13 61.591 0.400 . . . . . A 71 ILE CA . 19449 1 853 . 1 1 71 71 ILE CB C 13 40.978 0.400 . . . . . A 71 ILE CB . 19449 1 854 . 1 1 71 71 ILE CG1 C 13 27.862 0.400 . . . . . A 71 ILE CG1 . 19449 1 855 . 1 1 71 71 ILE CG2 C 13 17.677 0.400 . . . . . A 71 ILE CG2 . 19449 1 856 . 1 1 71 71 ILE CD1 C 13 13.623 0.400 . . . . . A 71 ILE CD1 . 19449 1 857 . 1 1 71 71 ILE N N 15 125.615 0.400 . . . . . A 71 ILE N . 19449 1 858 . 1 1 72 72 LYS H H 1 8.419 0.020 . . . . . A 72 LYS H . 19449 1 859 . 1 1 72 72 LYS HA H 1 4.628 0.020 . . . . . A 72 LYS HA . 19449 1 860 . 1 1 72 72 LYS HB2 H 1 1.762 0.020 . . . . . A 72 LYS HB2 . 19449 1 861 . 1 1 72 72 LYS HB3 H 1 1.632 0.020 . . . . . A 72 LYS HB3 . 19449 1 862 . 1 1 72 72 LYS HG2 H 1 1.102 0.020 . . . . . A 72 LYS HG2 . 19449 1 863 . 1 1 72 72 LYS HG3 H 1 1.335 0.020 . . . . . A 72 LYS HG3 . 19449 1 864 . 1 1 72 72 LYS HD3 H 1 1.568 0.020 . . . . . A 72 LYS HD3 . 19449 1 865 . 1 1 72 72 LYS HE3 H 1 2.807 0.020 . . . . . A 72 LYS HE3 . 19449 1 866 . 1 1 72 72 LYS C C 13 174.425 0.400 . . . . . A 72 LYS C . 19449 1 867 . 1 1 72 72 LYS CA C 13 55.278 0.400 . . . . . A 72 LYS CA . 19449 1 868 . 1 1 72 72 LYS CB C 13 35.146 0.400 . . . . . A 72 LYS CB . 19449 1 869 . 1 1 72 72 LYS CG C 13 25.047 0.400 . . . . . A 72 LYS CG . 19449 1 870 . 1 1 72 72 LYS CD C 13 29.556 0.400 . . . . . A 72 LYS CD . 19449 1 871 . 1 1 72 72 LYS CE C 13 41.798 0.400 . . . . . A 72 LYS CE . 19449 1 872 . 1 1 72 72 LYS N N 15 129.141 0.400 . . . . . A 72 LYS N . 19449 1 873 . 1 1 73 73 THR H H 1 8.258 0.020 . . . . . A 73 THR H . 19449 1 874 . 1 1 73 73 THR HA H 1 4.695 0.020 . . . . . A 73 THR HA . 19449 1 875 . 1 1 73 73 THR HB H 1 2.769 0.020 . . . . . A 73 THR HB . 19449 1 876 . 1 1 73 73 THR HG21 H 1 0.162 0.020 . . . . . A 73 THR HG21 . 19449 1 877 . 1 1 73 73 THR HG22 H 1 0.162 0.020 . . . . . A 73 THR HG22 . 19449 1 878 . 1 1 73 73 THR HG23 H 1 0.162 0.020 . . . . . A 73 THR HG23 . 19449 1 879 . 1 1 73 73 THR C C 13 174.550 0.400 . . . . . A 73 THR C . 19449 1 880 . 1 1 73 73 THR CA C 13 58.793 0.400 . . . . . A 73 THR CA . 19449 1 881 . 1 1 73 73 THR CB C 13 68.752 0.400 . . . . . A 73 THR CB . 19449 1 882 . 1 1 73 73 THR CG2 C 13 23.423 0.400 . . . . . A 73 THR CG2 . 19449 1 883 . 1 1 73 73 THR N N 15 116.054 0.400 . . . . . A 73 THR N . 19449 1 884 . 1 1 74 74 ILE H H 1 8.655 0.020 . . . . . A 74 ILE H . 19449 1 885 . 1 1 74 74 ILE HA H 1 4.231 0.020 . . . . . A 74 ILE HA . 19449 1 886 . 1 1 74 74 ILE HB H 1 1.826 0.020 . . . . . A 74 ILE HB . 19449 1 887 . 1 1 74 74 ILE HG12 H 1 0.793 0.020 . . . . . A 74 ILE HG12 . 19449 1 888 . 1 1 74 74 ILE HG13 H 1 1.147 0.020 . . . . . A 74 ILE HG13 . 19449 1 889 . 1 1 74 74 ILE HG21 H 1 0.859 0.020 . . . . . A 74 ILE HG21 . 19449 1 890 . 1 1 74 74 ILE HG22 H 1 0.859 0.020 . . . . . A 74 ILE HG22 . 19449 1 891 . 1 1 74 74 ILE HG23 H 1 0.859 0.020 . . . . . A 74 ILE HG23 . 19449 1 892 . 1 1 74 74 ILE HD11 H 1 0.622 0.020 . . . . . A 74 ILE HD11 . 19449 1 893 . 1 1 74 74 ILE HD12 H 1 0.622 0.020 . . . . . A 74 ILE HD12 . 19449 1 894 . 1 1 74 74 ILE HD13 H 1 0.622 0.020 . . . . . A 74 ILE HD13 . 19449 1 895 . 1 1 74 74 ILE C C 13 175.033 0.400 . . . . . A 74 ILE C . 19449 1 896 . 1 1 74 74 ILE CA C 13 60.813 0.400 . . . . . A 74 ILE CA . 19449 1 897 . 1 1 74 74 ILE CB C 13 40.771 0.400 . . . . . A 74 ILE CB . 19449 1 898 . 1 1 74 74 ILE CG1 C 13 27.839 0.400 . . . . . A 74 ILE CG1 . 19449 1 899 . 1 1 74 74 ILE CG2 C 13 17.593 0.400 . . . . . A 74 ILE CG2 . 19449 1 900 . 1 1 74 74 ILE CD1 C 13 13.863 0.400 . . . . . A 74 ILE CD1 . 19449 1 901 . 1 1 74 74 ILE N N 15 124.787 0.400 . . . . . A 74 ILE N . 19449 1 902 . 1 1 75 75 SER H H 1 8.306 0.020 . . . . . A 75 SER H . 19449 1 903 . 1 1 75 75 SER HA H 1 4.574 0.020 . . . . . A 75 SER HA . 19449 1 904 . 1 1 75 75 SER HB2 H 1 3.936 0.020 . . . . . A 75 SER HB2 . 19449 1 905 . 1 1 75 75 SER HB3 H 1 3.610 0.020 . . . . . A 75 SER HB3 . 19449 1 906 . 1 1 75 75 SER C C 13 173.153 0.400 . . . . . A 75 SER C . 19449 1 907 . 1 1 75 75 SER CA C 13 58.586 0.400 . . . . . A 75 SER CA . 19449 1 908 . 1 1 75 75 SER CB C 13 64.245 0.400 . . . . . A 75 SER CB . 19449 1 909 . 1 1 75 75 SER N N 15 121.778 0.400 . . . . . A 75 SER N . 19449 1 stop_ save_