data_30290 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30290 _Entry.Title ; NMR Assignment and Structure of Thioredoxin (Rv1471 ortholog) from Mycobacterium smegmatis ATCC 700084 / mc(2)155 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-05-02 _Entry.Accession_date 2017-05-02 _Entry.Last_release_date 2017-05-31 _Entry.Original_release_date 2017-05-31 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _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.ORCID _Entry_author.Entry_ID 1 R. Barnwal R. P. . . 30290 2 G. Varani G. . . . 30290 3 SSGCID 'Seattle Structural Genomics Center for Infectious Disease (SSGCID)' . . . . 30290 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 'NIAID, National Institute of Allergy and Infectious Diseases' 'Seattle Structural Genomics Center for Infectious Disease' SSGCID 30290 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'ELECTRON TRANSPORT' . 30290 PROTEIN . 30290 'PROTEIN NMR Thioredoxin Mycobacterium smegmatis' . 30290 SSGCID . 30290 'Seattle Structural Genomics Center for Infectious Disease' . 30290 'Structural Genomics' . 30290 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30290 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 448 30290 '15N chemical shifts' 105 30290 '1H chemical shifts' 661 30290 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 . . 2017-06-02 . original BMRB . 30290 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5VO7 'BMRB Entry Tracking System' 30290 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30290 _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 ; Assignment and Structure of Thioredoxin (Rv1471 ortholog) type protein from Mycobacterium smegmatis ATCC 700084 / mc(2)155 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 R. Barnwal R. P. . . 30290 1 2 G. Varani G. . . . 30290 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30290 _Assembly.ID 1 _Assembly.Name Thioredoxin _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30290 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30290 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSEDSATVAVTDDSFSTDVL GSSKPVLVDFWATWCGPCKM VAPVLEEIAAEKGDQLTVAK IDVDANPATARDFQVVSIPT MILFKDGAPVKRIVGAKGKA ALLRELSDAL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 110 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11634.341 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 30290 1 2 . SER . 30290 1 3 . GLU . 30290 1 4 . ASP . 30290 1 5 . SER . 30290 1 6 . ALA . 30290 1 7 . THR . 30290 1 8 . VAL . 30290 1 9 . ALA . 30290 1 10 . VAL . 30290 1 11 . THR . 30290 1 12 . ASP . 30290 1 13 . ASP . 30290 1 14 . SER . 30290 1 15 . PHE . 30290 1 16 . SER . 30290 1 17 . THR . 30290 1 18 . ASP . 30290 1 19 . VAL . 30290 1 20 . LEU . 30290 1 21 . GLY . 30290 1 22 . SER . 30290 1 23 . SER . 30290 1 24 . LYS . 30290 1 25 . PRO . 30290 1 26 . VAL . 30290 1 27 . LEU . 30290 1 28 . VAL . 30290 1 29 . ASP . 30290 1 30 . PHE . 30290 1 31 . TRP . 30290 1 32 . ALA . 30290 1 33 . THR . 30290 1 34 . TRP . 30290 1 35 . CYS . 30290 1 36 . GLY . 30290 1 37 . PRO . 30290 1 38 . CYS . 30290 1 39 . LYS . 30290 1 40 . MET . 30290 1 41 . VAL . 30290 1 42 . ALA . 30290 1 43 . PRO . 30290 1 44 . VAL . 30290 1 45 . LEU . 30290 1 46 . GLU . 30290 1 47 . GLU . 30290 1 48 . ILE . 30290 1 49 . ALA . 30290 1 50 . ALA . 30290 1 51 . GLU . 30290 1 52 . LYS . 30290 1 53 . GLY . 30290 1 54 . ASP . 30290 1 55 . GLN . 30290 1 56 . LEU . 30290 1 57 . THR . 30290 1 58 . VAL . 30290 1 59 . ALA . 30290 1 60 . LYS . 30290 1 61 . ILE . 30290 1 62 . ASP . 30290 1 63 . VAL . 30290 1 64 . ASP . 30290 1 65 . ALA . 30290 1 66 . ASN . 30290 1 67 . PRO . 30290 1 68 . ALA . 30290 1 69 . THR . 30290 1 70 . ALA . 30290 1 71 . ARG . 30290 1 72 . ASP . 30290 1 73 . PHE . 30290 1 74 . GLN . 30290 1 75 . VAL . 30290 1 76 . VAL . 30290 1 77 . SER . 30290 1 78 . ILE . 30290 1 79 . PRO . 30290 1 80 . THR . 30290 1 81 . MET . 30290 1 82 . ILE . 30290 1 83 . LEU . 30290 1 84 . PHE . 30290 1 85 . LYS . 30290 1 86 . ASP . 30290 1 87 . GLY . 30290 1 88 . ALA . 30290 1 89 . PRO . 30290 1 90 . VAL . 30290 1 91 . LYS . 30290 1 92 . ARG . 30290 1 93 . ILE . 30290 1 94 . VAL . 30290 1 95 . GLY . 30290 1 96 . ALA . 30290 1 97 . LYS . 30290 1 98 . GLY . 30290 1 99 . LYS . 30290 1 100 . ALA . 30290 1 101 . ALA . 30290 1 102 . LEU . 30290 1 103 . LEU . 30290 1 104 . ARG . 30290 1 105 . GLU . 30290 1 106 . LEU . 30290 1 107 . SER . 30290 1 108 . ASP . 30290 1 109 . ALA . 30290 1 110 . LEU . 30290 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 30290 1 . SER 2 2 30290 1 . GLU 3 3 30290 1 . ASP 4 4 30290 1 . SER 5 5 30290 1 . ALA 6 6 30290 1 . THR 7 7 30290 1 . VAL 8 8 30290 1 . ALA 9 9 30290 1 . VAL 10 10 30290 1 . THR 11 11 30290 1 . ASP 12 12 30290 1 . ASP 13 13 30290 1 . SER 14 14 30290 1 . PHE 15 15 30290 1 . SER 16 16 30290 1 . THR 17 17 30290 1 . ASP 18 18 30290 1 . VAL 19 19 30290 1 . LEU 20 20 30290 1 . GLY 21 21 30290 1 . SER 22 22 30290 1 . SER 23 23 30290 1 . LYS 24 24 30290 1 . PRO 25 25 30290 1 . VAL 26 26 30290 1 . LEU 27 27 30290 1 . VAL 28 28 30290 1 . ASP 29 29 30290 1 . PHE 30 30 30290 1 . TRP 31 31 30290 1 . ALA 32 32 30290 1 . THR 33 33 30290 1 . TRP 34 34 30290 1 . CYS 35 35 30290 1 . GLY 36 36 30290 1 . PRO 37 37 30290 1 . CYS 38 38 30290 1 . LYS 39 39 30290 1 . MET 40 40 30290 1 . VAL 41 41 30290 1 . ALA 42 42 30290 1 . PRO 43 43 30290 1 . VAL 44 44 30290 1 . LEU 45 45 30290 1 . GLU 46 46 30290 1 . GLU 47 47 30290 1 . ILE 48 48 30290 1 . ALA 49 49 30290 1 . ALA 50 50 30290 1 . GLU 51 51 30290 1 . LYS 52 52 30290 1 . GLY 53 53 30290 1 . ASP 54 54 30290 1 . GLN 55 55 30290 1 . LEU 56 56 30290 1 . THR 57 57 30290 1 . VAL 58 58 30290 1 . ALA 59 59 30290 1 . LYS 60 60 30290 1 . ILE 61 61 30290 1 . ASP 62 62 30290 1 . VAL 63 63 30290 1 . ASP 64 64 30290 1 . ALA 65 65 30290 1 . ASN 66 66 30290 1 . PRO 67 67 30290 1 . ALA 68 68 30290 1 . THR 69 69 30290 1 . ALA 70 70 30290 1 . ARG 71 71 30290 1 . ASP 72 72 30290 1 . PHE 73 73 30290 1 . GLN 74 74 30290 1 . VAL 75 75 30290 1 . VAL 76 76 30290 1 . SER 77 77 30290 1 . ILE 78 78 30290 1 . PRO 79 79 30290 1 . THR 80 80 30290 1 . MET 81 81 30290 1 . ILE 82 82 30290 1 . LEU 83 83 30290 1 . PHE 84 84 30290 1 . LYS 85 85 30290 1 . ASP 86 86 30290 1 . GLY 87 87 30290 1 . ALA 88 88 30290 1 . PRO 89 89 30290 1 . VAL 90 90 30290 1 . LYS 91 91 30290 1 . ARG 92 92 30290 1 . ILE 93 93 30290 1 . VAL 94 94 30290 1 . GLY 95 95 30290 1 . ALA 96 96 30290 1 . LYS 97 97 30290 1 . GLY 98 98 30290 1 . LYS 99 99 30290 1 . ALA 100 100 30290 1 . ALA 101 101 30290 1 . LEU 102 102 30290 1 . LEU 103 103 30290 1 . ARG 104 104 30290 1 . GLU 105 105 30290 1 . LEU 106 106 30290 1 . SER 107 107 30290 1 . ASP 108 108 30290 1 . ALA 109 109 30290 1 . LEU 110 110 30290 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 30290 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 1772 organism . 'Mycobacterium smegmatis' 'Mycobacterium smegmatis' . . Bacteria . Mycobacterium smegmatis . . . . . . . . . . . 'trxA_2, ERS451418_06713' . 30290 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 30290 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 30290 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30290 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.1 mM [U-99% 13C; U-99% 15N] Thioredoxin (Rv1471 ortholog) from Mycobacterium smegmatis ATCC 700084 / mc(2)15513C, 93% H2O/7% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'Thioredoxin (Rv1471 ortholog) from Mycobacterium smegmatis ATCC 700084 / mc(2)15513C' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1.1 . . mM 0.1 . . . 30290 1 2 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 30290 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 30290 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 30290 1 pH 6.0 . pH 30290 1 pressure 1 . atm 30290 1 temperature 298 . K 30290 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30290 _Software.ID 1 _Software.Name Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 30290 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30290 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30290 _Software.ID 2 _Software.Name CYANA _Software.Version 3.97 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30290 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30290 2 'structure calculation' 30290 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30290 _Software.ID 3 _Software.Name CcpNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 30290 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30290 3 'peak picking' 30290 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30290 _Software.ID 4 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30290 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30290 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30290 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30290 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceII _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 30290 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceIII . 800 . . . 30290 1 2 NMR_spectrometer_2 Bruker AvanceII . 600 . . . 30290 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 30290 _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 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30290 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30290 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30290 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30290 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30290 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30290 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30290 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30290 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30290 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30290 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30290 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30290 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30290 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30290 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30290 1 2 '2D 1H-13C HSQC' . . . 30290 1 3 '3D CBCA(CO)NH' . . . 30290 1 4 '3D HNCACB' . . . 30290 1 5 '3D HNCO' . . . 30290 1 6 '3D 1H-13C NOESY' . . . 30290 1 7 '3D 1H-15N NOESY' . . . 30290 1 8 '3D HBHA(CO)NH' . . . 30290 1 9 '3D HCCH-TOCSY' . . . 30290 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 4.410 0.002 . . . . . A 1 MET HA . 30290 1 2 . 1 1 1 1 MET HB2 H 1 2.050 0.006 . . . . . A 1 MET HB2 . 30290 1 3 . 1 1 1 1 MET HB3 H 1 1.925 0.000 . . . . . A 1 MET HB3 . 30290 1 4 . 1 1 1 1 MET HG2 H 1 2.484 0.000 . . . . . A 1 MET HG2 . 30290 1 5 . 1 1 1 1 MET HG3 H 1 2.433 0.000 . . . . . A 1 MET HG3 . 30290 1 6 . 1 1 1 1 MET C C 13 176.114 0.000 . . . . . A 1 MET C . 30290 1 7 . 1 1 1 1 MET CA C 13 53.653 0.078 . . . . . A 1 MET CA . 30290 1 8 . 1 1 1 1 MET CB C 13 30.700 0.000 . . . . . A 1 MET CB . 30290 1 9 . 1 1 1 1 MET CG C 13 29.818 0.000 . . . . . A 1 MET CG . 30290 1 10 . 1 1 2 2 SER H H 1 8.352 0.014 . . . . . A 2 SER H . 30290 1 11 . 1 1 2 2 SER HA H 1 4.100 0.274 . . . . . A 2 SER HA . 30290 1 12 . 1 1 2 2 SER HB2 H 1 4.368 0.000 . . . . . A 2 SER HB2 . 30290 1 13 . 1 1 2 2 SER C C 13 174.492 0.000 . . . . . A 2 SER C . 30290 1 14 . 1 1 2 2 SER CA C 13 56.609 0.007 . . . . . A 2 SER CA . 30290 1 15 . 1 1 2 2 SER CB C 13 61.820 0.060 . . . . . A 2 SER CB . 30290 1 16 . 1 1 2 2 SER N N 15 116.513 0.048 . . . . . A 2 SER N . 30290 1 17 . 1 1 3 3 GLU H H 1 8.430 0.006 . . . . . A 3 GLU H . 30290 1 18 . 1 1 3 3 GLU HA H 1 4.244 0.001 . . . . . A 3 GLU HA . 30290 1 19 . 1 1 3 3 GLU HB2 H 1 2.031 0.000 . . . . . A 3 GLU HB2 . 30290 1 20 . 1 1 3 3 GLU HB3 H 1 1.865 0.000 . . . . . A 3 GLU HB3 . 30290 1 21 . 1 1 3 3 GLU HG2 H 1 2.209 0.000 . . . . . A 3 GLU HG2 . 30290 1 22 . 1 1 3 3 GLU C C 13 176.096 0.000 . . . . . A 3 GLU C . 30290 1 23 . 1 1 3 3 GLU CA C 13 54.674 0.023 . . . . . A 3 GLU CA . 30290 1 24 . 1 1 3 3 GLU CB C 13 28.026 0.058 . . . . . A 3 GLU CB . 30290 1 25 . 1 1 3 3 GLU CG C 13 34.227 0.000 . . . . . A 3 GLU CG . 30290 1 26 . 1 1 3 3 GLU N N 15 121.844 0.029 . . . . . A 3 GLU N . 30290 1 27 . 1 1 4 4 ASP H H 1 8.209 0.009 . . . . . A 4 ASP H . 30290 1 28 . 1 1 4 4 ASP HA H 1 4.560 0.004 . . . . . A 4 ASP HA . 30290 1 29 . 1 1 4 4 ASP HB2 H 1 2.639 0.000 . . . . . A 4 ASP HB2 . 30290 1 30 . 1 1 4 4 ASP HB3 H 1 2.545 0.000 . . . . . A 4 ASP HB3 . 30290 1 31 . 1 1 4 4 ASP C C 13 175.741 0.000 . . . . . A 4 ASP C . 30290 1 32 . 1 1 4 4 ASP CA C 13 52.431 0.000 . . . . . A 4 ASP CA . 30290 1 33 . 1 1 4 4 ASP CB C 13 39.197 0.000 . . . . . A 4 ASP CB . 30290 1 34 . 1 1 4 4 ASP N N 15 120.634 0.056 . . . . . A 4 ASP N . 30290 1 35 . 1 1 5 5 SER H H 1 8.026 0.012 . . . . . A 5 SER H . 30290 1 36 . 1 1 5 5 SER HA H 1 4.465 0.003 . . . . . A 5 SER HA . 30290 1 37 . 1 1 5 5 SER HB2 H 1 3.855 0.000 . . . . . A 5 SER HB2 . 30290 1 38 . 1 1 5 5 SER HB3 H 1 3.648 0.019 . . . . . A 5 SER HB3 . 30290 1 39 . 1 1 5 5 SER C C 13 173.884 0.000 . . . . . A 5 SER C . 30290 1 40 . 1 1 5 5 SER CA C 13 55.901 0.000 . . . . . A 5 SER CA . 30290 1 41 . 1 1 5 5 SER CB C 13 62.391 0.083 . . . . . A 5 SER CB . 30290 1 42 . 1 1 5 5 SER N N 15 114.874 0.059 . . . . . A 5 SER N . 30290 1 43 . 1 1 6 6 ALA H H 1 9.203 0.005 . . . . . A 6 ALA H . 30290 1 44 . 1 1 6 6 ALA HA H 1 4.450 0.006 . . . . . A 6 ALA HA . 30290 1 45 . 1 1 6 6 ALA HB1 H 1 1.349 0.000 . . . . . A 6 ALA HB1 . 30290 1 46 . 1 1 6 6 ALA HB2 H 1 1.349 0.000 . . . . . A 6 ALA HB2 . 30290 1 47 . 1 1 6 6 ALA HB3 H 1 1.349 0.000 . . . . . A 6 ALA HB3 . 30290 1 48 . 1 1 6 6 ALA C C 13 178.215 0.000 . . . . . A 6 ALA C . 30290 1 49 . 1 1 6 6 ALA CA C 13 50.372 0.000 . . . . . A 6 ALA CA . 30290 1 50 . 1 1 6 6 ALA CB C 13 17.964 0.000 . . . . . A 6 ALA CB . 30290 1 51 . 1 1 6 6 ALA N N 15 127.571 0.037 . . . . . A 6 ALA N . 30290 1 52 . 1 1 7 7 THR H H 1 8.235 0.013 . . . . . A 7 THR H . 30290 1 53 . 1 1 7 7 THR HA H 1 4.497 0.005 . . . . . A 7 THR HA . 30290 1 54 . 1 1 7 7 THR HB H 1 3.795 0.008 . . . . . A 7 THR HB . 30290 1 55 . 1 1 7 7 THR HG21 H 1 0.860 0.000 . . . . . A 7 THR HG21 . 30290 1 56 . 1 1 7 7 THR HG22 H 1 0.860 0.000 . . . . . A 7 THR HG22 . 30290 1 57 . 1 1 7 7 THR HG23 H 1 0.860 0.000 . . . . . A 7 THR HG23 . 30290 1 58 . 1 1 7 7 THR C C 13 174.003 0.000 . . . . . A 7 THR C . 30290 1 59 . 1 1 7 7 THR CA C 13 59.415 0.000 . . . . . A 7 THR CA . 30290 1 60 . 1 1 7 7 THR CB C 13 68.828 0.051 . . . . . A 7 THR CB . 30290 1 61 . 1 1 7 7 THR CG2 C 13 18.992 0.000 . . . . . A 7 THR CG2 . 30290 1 62 . 1 1 7 7 THR N N 15 111.036 0.069 . . . . . A 7 THR N . 30290 1 63 . 1 1 8 8 VAL H H 1 8.585 0.011 . . . . . A 8 VAL H . 30290 1 64 . 1 1 8 8 VAL HA H 1 4.375 0.005 . . . . . A 8 VAL HA . 30290 1 65 . 1 1 8 8 VAL HB H 1 1.841 0.000 . . . . . A 8 VAL HB . 30290 1 66 . 1 1 8 8 VAL HG11 H 1 0.727 0.000 . . . . . A 8 VAL HG11 . 30290 1 67 . 1 1 8 8 VAL HG12 H 1 0.727 0.000 . . . . . A 8 VAL HG12 . 30290 1 68 . 1 1 8 8 VAL HG13 H 1 0.727 0.000 . . . . . A 8 VAL HG13 . 30290 1 69 . 1 1 8 8 VAL HG21 H 1 0.705 0.021 . . . . . A 8 VAL HG21 . 30290 1 70 . 1 1 8 8 VAL HG22 H 1 0.705 0.021 . . . . . A 8 VAL HG22 . 30290 1 71 . 1 1 8 8 VAL HG23 H 1 0.705 0.021 . . . . . A 8 VAL HG23 . 30290 1 72 . 1 1 8 8 VAL C C 13 174.578 0.000 . . . . . A 8 VAL C . 30290 1 73 . 1 1 8 8 VAL CA C 13 58.211 0.000 . . . . . A 8 VAL CA . 30290 1 74 . 1 1 8 8 VAL CB C 13 32.278 0.000 . . . . . A 8 VAL CB . 30290 1 75 . 1 1 8 8 VAL CG1 C 13 18.669 0.000 . . . . . A 8 VAL CG1 . 30290 1 76 . 1 1 8 8 VAL CG2 C 13 17.761 0.021 . . . . . A 8 VAL CG2 . 30290 1 77 . 1 1 8 8 VAL N N 15 118.814 0.041 . . . . . A 8 VAL N . 30290 1 78 . 1 1 9 9 ALA H H 1 8.528 0.011 . . . . . A 9 ALA H . 30290 1 79 . 1 1 9 9 ALA HA H 1 5.010 0.018 . . . . . A 9 ALA HA . 30290 1 80 . 1 1 9 9 ALA HB1 H 1 1.329 0.014 . . . . . A 9 ALA HB1 . 30290 1 81 . 1 1 9 9 ALA HB2 H 1 1.329 0.014 . . . . . A 9 ALA HB2 . 30290 1 82 . 1 1 9 9 ALA HB3 H 1 1.329 0.014 . . . . . A 9 ALA HB3 . 30290 1 83 . 1 1 9 9 ALA C C 13 177.361 0.000 . . . . . A 9 ALA C . 30290 1 84 . 1 1 9 9 ALA CA C 13 49.400 0.066 . . . . . A 9 ALA CA . 30290 1 85 . 1 1 9 9 ALA CB C 13 17.026 0.054 . . . . . A 9 ALA CB . 30290 1 86 . 1 1 9 9 ALA N N 15 128.533 0.037 . . . . . A 9 ALA N . 30290 1 87 . 1 1 10 10 VAL H H 1 8.541 0.005 . . . . . A 10 VAL H . 30290 1 88 . 1 1 10 10 VAL HA H 1 4.445 0.013 . . . . . A 10 VAL HA . 30290 1 89 . 1 1 10 10 VAL HB H 1 1.799 0.000 . . . . . A 10 VAL HB . 30290 1 90 . 1 1 10 10 VAL HG11 H 1 0.838 0.000 . . . . . A 10 VAL HG11 . 30290 1 91 . 1 1 10 10 VAL HG12 H 1 0.838 0.000 . . . . . A 10 VAL HG12 . 30290 1 92 . 1 1 10 10 VAL HG13 H 1 0.838 0.000 . . . . . A 10 VAL HG13 . 30290 1 93 . 1 1 10 10 VAL HG21 H 1 0.694 0.000 . . . . . A 10 VAL HG21 . 30290 1 94 . 1 1 10 10 VAL HG22 H 1 0.694 0.000 . . . . . A 10 VAL HG22 . 30290 1 95 . 1 1 10 10 VAL HG23 H 1 0.694 0.000 . . . . . A 10 VAL HG23 . 30290 1 96 . 1 1 10 10 VAL C C 13 173.391 0.000 . . . . . A 10 VAL C . 30290 1 97 . 1 1 10 10 VAL CA C 13 58.118 0.000 . . . . . A 10 VAL CA . 30290 1 98 . 1 1 10 10 VAL CB C 13 32.771 0.000 . . . . . A 10 VAL CB . 30290 1 99 . 1 1 10 10 VAL CG1 C 13 20.306 0.000 . . . . . A 10 VAL CG1 . 30290 1 100 . 1 1 10 10 VAL CG2 C 13 19.101 0.000 . . . . . A 10 VAL CG2 . 30290 1 101 . 1 1 10 10 VAL N N 15 119.703 0.015 . . . . . A 10 VAL N . 30290 1 102 . 1 1 11 11 THR H H 1 8.054 0.012 . . . . . A 11 THR H . 30290 1 103 . 1 1 11 11 THR HA H 1 4.752 0.001 . . . . . A 11 THR HA . 30290 1 104 . 1 1 11 11 THR HB H 1 4.759 0.020 . . . . . A 11 THR HB . 30290 1 105 . 1 1 11 11 THR HG21 H 1 1.164 0.000 . . . . . A 11 THR HG21 . 30290 1 106 . 1 1 11 11 THR HG22 H 1 1.164 0.000 . . . . . A 11 THR HG22 . 30290 1 107 . 1 1 11 11 THR HG23 H 1 1.164 0.000 . . . . . A 11 THR HG23 . 30290 1 108 . 1 1 11 11 THR C C 13 175.553 0.000 . . . . . A 11 THR C . 30290 1 109 . 1 1 11 11 THR CA C 13 56.865 0.000 . . . . . A 11 THR CA . 30290 1 110 . 1 1 11 11 THR CB C 13 71.512 0.032 . . . . . A 11 THR CB . 30290 1 111 . 1 1 11 11 THR CG2 C 13 19.559 0.000 . . . . . A 11 THR CG2 . 30290 1 112 . 1 1 11 11 THR N N 15 111.401 0.050 . . . . . A 11 THR N . 30290 1 113 . 1 1 12 12 ASP H H 1 8.921 0.012 . . . . . A 12 ASP H . 30290 1 114 . 1 1 12 12 ASP HA H 1 4.353 0.022 . . . . . A 12 ASP HA . 30290 1 115 . 1 1 12 12 ASP HB2 H 1 2.783 0.000 . . . . . A 12 ASP HB2 . 30290 1 116 . 1 1 12 12 ASP HB3 H 1 2.680 0.000 . . . . . A 12 ASP HB3 . 30290 1 117 . 1 1 12 12 ASP C C 13 178.695 0.000 . . . . . A 12 ASP C . 30290 1 118 . 1 1 12 12 ASP CA C 13 56.318 0.000 . . . . . A 12 ASP CA . 30290 1 119 . 1 1 12 12 ASP CB C 13 39.100 0.000 . . . . . A 12 ASP CB . 30290 1 120 . 1 1 12 12 ASP N N 15 120.261 0.026 . . . . . A 12 ASP N . 30290 1 121 . 1 1 13 13 ASP H H 1 8.143 0.007 . . . . . A 13 ASP H . 30290 1 122 . 1 1 13 13 ASP HA H 1 4.557 0.004 . . . . . A 13 ASP HA . 30290 1 123 . 1 1 13 13 ASP HB2 H 1 2.611 0.000 . . . . . A 13 ASP HB2 . 30290 1 124 . 1 1 13 13 ASP C C 13 177.173 0.000 . . . . . A 13 ASP C . 30290 1 125 . 1 1 13 13 ASP CA C 13 54.377 0.000 . . . . . A 13 ASP CA . 30290 1 126 . 1 1 13 13 ASP CB C 13 39.329 0.000 . . . . . A 13 ASP CB . 30290 1 127 . 1 1 13 13 ASP N N 15 115.900 0.063 . . . . . A 13 ASP N . 30290 1 128 . 1 1 14 14 SER H H 1 8.047 0.006 . . . . . A 14 SER H . 30290 1 129 . 1 1 14 14 SER HA H 1 4.679 0.002 . . . . . A 14 SER HA . 30290 1 130 . 1 1 14 14 SER HB2 H 1 4.287 0.000 . . . . . A 14 SER HB2 . 30290 1 131 . 1 1 14 14 SER HB3 H 1 3.581 0.003 . . . . . A 14 SER HB3 . 30290 1 132 . 1 1 14 14 SER C C 13 175.569 0.000 . . . . . A 14 SER C . 30290 1 133 . 1 1 14 14 SER CA C 13 56.773 0.000 . . . . . A 14 SER CA . 30290 1 134 . 1 1 14 14 SER CB C 13 63.316 0.043 . . . . . A 14 SER CB . 30290 1 135 . 1 1 14 14 SER N N 15 116.784 0.063 . . . . . A 14 SER N . 30290 1 136 . 1 1 15 15 PHE H H 1 8.075 0.002 . . . . . A 15 PHE H . 30290 1 137 . 1 1 15 15 PHE HA H 1 3.569 0.015 . . . . . A 15 PHE HA . 30290 1 138 . 1 1 15 15 PHE HB2 H 1 3.386 0.000 . . . . . A 15 PHE HB2 . 30290 1 139 . 1 1 15 15 PHE HB3 H 1 3.030 0.000 . . . . . A 15 PHE HB3 . 30290 1 140 . 1 1 15 15 PHE HD1 H 1 6.931 0.007 . . . . . A 15 PHE HD1 . 30290 1 141 . 1 1 15 15 PHE HD2 H 1 6.931 0.007 . . . . . A 15 PHE HD2 . 30290 1 142 . 1 1 15 15 PHE HE1 H 1 6.713 0.000 . . . . . A 15 PHE HE1 . 30290 1 143 . 1 1 15 15 PHE HE2 H 1 6.713 0.000 . . . . . A 15 PHE HE2 . 30290 1 144 . 1 1 15 15 PHE C C 13 177.977 0.000 . . . . . A 15 PHE C . 30290 1 145 . 1 1 15 15 PHE CA C 13 61.831 0.019 . . . . . A 15 PHE CA . 30290 1 146 . 1 1 15 15 PHE CB C 13 37.878 0.014 . . . . . A 15 PHE CB . 30290 1 147 . 1 1 15 15 PHE N N 15 126.672 0.034 . . . . . A 15 PHE N . 30290 1 148 . 1 1 16 16 SER H H 1 9.263 0.013 . . . . . A 16 SER H . 30290 1 149 . 1 1 16 16 SER HA H 1 3.998 0.000 . . . . . A 16 SER HA . 30290 1 150 . 1 1 16 16 SER HB2 H 1 3.893 0.000 . . . . . A 16 SER HB2 . 30290 1 151 . 1 1 16 16 SER C C 13 175.793 0.000 . . . . . A 16 SER C . 30290 1 152 . 1 1 16 16 SER CA C 13 59.929 0.000 . . . . . A 16 SER CA . 30290 1 153 . 1 1 16 16 SER CB C 13 60.257 0.000 . . . . . A 16 SER CB . 30290 1 154 . 1 1 16 16 SER N N 15 114.030 0.065 . . . . . A 16 SER N . 30290 1 155 . 1 1 17 17 THR H H 1 7.734 0.012 . . . . . A 17 THR H . 30290 1 156 . 1 1 17 17 THR HA H 1 3.987 0.005 . . . . . A 17 THR HA . 30290 1 157 . 1 1 17 17 THR HB H 1 5.012 0.000 . . . . . A 17 THR HB . 30290 1 158 . 1 1 17 17 THR HG21 H 1 1.111 0.019 . . . . . A 17 THR HG21 . 30290 1 159 . 1 1 17 17 THR HG22 H 1 1.111 0.019 . . . . . A 17 THR HG22 . 30290 1 160 . 1 1 17 17 THR HG23 H 1 1.111 0.019 . . . . . A 17 THR HG23 . 30290 1 161 . 1 1 17 17 THR C C 13 175.697 0.000 . . . . . A 17 THR C . 30290 1 162 . 1 1 17 17 THR CA C 13 63.182 0.000 . . . . . A 17 THR CA . 30290 1 163 . 1 1 17 17 THR CB C 13 67.155 0.008 . . . . . A 17 THR CB . 30290 1 164 . 1 1 17 17 THR CG2 C 13 19.520 0.026 . . . . . A 17 THR CG2 . 30290 1 165 . 1 1 17 17 THR N N 15 116.614 0.094 . . . . . A 17 THR N . 30290 1 166 . 1 1 18 18 ASP H H 1 8.512 0.012 . . . . . A 18 ASP H . 30290 1 167 . 1 1 18 18 ASP HA H 1 4.198 0.000 . . . . . A 18 ASP HA . 30290 1 168 . 1 1 18 18 ASP HB2 H 1 2.270 0.000 . . . . . A 18 ASP HB2 . 30290 1 169 . 1 1 18 18 ASP C C 13 176.140 0.012 . . . . . A 18 ASP C . 30290 1 170 . 1 1 18 18 ASP CA C 13 54.709 0.000 . . . . . A 18 ASP CA . 30290 1 171 . 1 1 18 18 ASP CB C 13 39.689 0.000 . . . . . A 18 ASP CB . 30290 1 172 . 1 1 18 18 ASP N N 15 119.463 0.070 . . . . . A 18 ASP N . 30290 1 173 . 1 1 19 19 VAL H H 1 7.564 0.006 . . . . . A 19 VAL H . 30290 1 174 . 1 1 19 19 VAL HA H 1 3.780 0.000 . . . . . A 19 VAL HA . 30290 1 175 . 1 1 19 19 VAL HB H 1 0.491 0.005 . . . . . A 19 VAL HB . 30290 1 176 . 1 1 19 19 VAL HG11 H 1 -0.539 0.015 . . . . . A 19 VAL HG11 . 30290 1 177 . 1 1 19 19 VAL HG12 H 1 -0.539 0.015 . . . . . A 19 VAL HG12 . 30290 1 178 . 1 1 19 19 VAL HG13 H 1 -0.539 0.015 . . . . . A 19 VAL HG13 . 30290 1 179 . 1 1 19 19 VAL HG21 H 1 0.040 0.016 . . . . . A 19 VAL HG21 . 30290 1 180 . 1 1 19 19 VAL HG22 H 1 0.040 0.016 . . . . . A 19 VAL HG22 . 30290 1 181 . 1 1 19 19 VAL HG23 H 1 0.040 0.016 . . . . . A 19 VAL HG23 . 30290 1 182 . 1 1 19 19 VAL C C 13 177.359 0.000 . . . . . A 19 VAL C . 30290 1 183 . 1 1 19 19 VAL CA C 13 61.585 0.000 . . . . . A 19 VAL CA . 30290 1 184 . 1 1 19 19 VAL CB C 13 29.315 0.056 . . . . . A 19 VAL CB . 30290 1 185 . 1 1 19 19 VAL CG1 C 13 18.484 0.066 . . . . . A 19 VAL CG1 . 30290 1 186 . 1 1 19 19 VAL CG2 C 13 19.157 0.052 . . . . . A 19 VAL CG2 . 30290 1 187 . 1 1 19 19 VAL N N 15 113.639 0.037 . . . . . A 19 VAL N . 30290 1 188 . 1 1 20 20 LEU H H 1 6.942 0.011 . . . . . A 20 LEU H . 30290 1 189 . 1 1 20 20 LEU HA H 1 3.644 0.020 . . . . . A 20 LEU HA . 30290 1 190 . 1 1 20 20 LEU HB2 H 1 1.512 0.000 . . . . . A 20 LEU HB2 . 30290 1 191 . 1 1 20 20 LEU HB3 H 1 2.186 0.000 . . . . . A 20 LEU HB3 . 30290 1 192 . 1 1 20 20 LEU HG H 1 1.285 0.000 . . . . . A 20 LEU HG . 30290 1 193 . 1 1 20 20 LEU HD11 H 1 1.121 0.000 . . . . . A 20 LEU HD11 . 30290 1 194 . 1 1 20 20 LEU HD12 H 1 1.121 0.000 . . . . . A 20 LEU HD12 . 30290 1 195 . 1 1 20 20 LEU HD13 H 1 1.121 0.000 . . . . . A 20 LEU HD13 . 30290 1 196 . 1 1 20 20 LEU HD21 H 1 0.677 0.000 . . . . . A 20 LEU HD21 . 30290 1 197 . 1 1 20 20 LEU HD22 H 1 0.677 0.000 . . . . . A 20 LEU HD22 . 30290 1 198 . 1 1 20 20 LEU HD23 H 1 0.677 0.000 . . . . . A 20 LEU HD23 . 30290 1 199 . 1 1 20 20 LEU C C 13 177.902 0.000 . . . . . A 20 LEU C . 30290 1 200 . 1 1 20 20 LEU CA C 13 55.857 0.061 . . . . . A 20 LEU CA . 30290 1 201 . 1 1 20 20 LEU CB C 13 36.858 0.000 . . . . . A 20 LEU CB . 30290 1 202 . 1 1 20 20 LEU CG C 13 24.377 0.000 . . . . . A 20 LEU CG . 30290 1 203 . 1 1 20 20 LEU CD1 C 13 23.196 0.000 . . . . . A 20 LEU CD1 . 30290 1 204 . 1 1 20 20 LEU CD2 C 13 20.325 0.000 . . . . . A 20 LEU CD2 . 30290 1 205 . 1 1 20 20 LEU N N 15 115.562 0.041 . . . . . A 20 LEU N . 30290 1 206 . 1 1 21 21 GLY H H 1 7.036 0.013 . . . . . A 21 GLY H . 30290 1 207 . 1 1 21 21 GLY HA2 H 1 4.175 0.017 . . . . . A 21 GLY HA2 . 30290 1 208 . 1 1 21 21 GLY HA3 H 1 3.604 0.010 . . . . . A 21 GLY HA3 . 30290 1 209 . 1 1 21 21 GLY C C 13 174.100 0.000 . . . . . A 21 GLY C . 30290 1 210 . 1 1 21 21 GLY CA C 13 42.677 0.023 . . . . . A 21 GLY CA . 30290 1 211 . 1 1 21 21 GLY N N 15 102.550 0.045 . . . . . A 21 GLY N . 30290 1 212 . 1 1 22 22 SER H H 1 6.439 0.003 . . . . . A 22 SER H . 30290 1 213 . 1 1 22 22 SER HA H 1 4.292 0.002 . . . . . A 22 SER HA . 30290 1 214 . 1 1 22 22 SER HB2 H 1 3.723 0.000 . . . . . A 22 SER HB2 . 30290 1 215 . 1 1 22 22 SER HB3 H 1 3.779 0.000 . . . . . A 22 SER HB3 . 30290 1 216 . 1 1 22 22 SER C C 13 176.881 0.000 . . . . . A 22 SER C . 30290 1 217 . 1 1 22 22 SER CA C 13 55.708 0.000 . . . . . A 22 SER CA . 30290 1 218 . 1 1 22 22 SER CB C 13 62.033 0.000 . . . . . A 22 SER CB . 30290 1 219 . 1 1 22 22 SER N N 15 112.096 0.024 . . . . . A 22 SER N . 30290 1 220 . 1 1 23 23 SER H H 1 8.990 0.015 . . . . . A 23 SER H . 30290 1 221 . 1 1 23 23 SER HA H 1 4.470 0.000 . . . . . A 23 SER HA . 30290 1 222 . 1 1 23 23 SER HB2 H 1 3.924 0.000 . . . . . A 23 SER HB2 . 30290 1 223 . 1 1 23 23 SER C C 13 174.408 0.000 . . . . . A 23 SER C . 30290 1 224 . 1 1 23 23 SER CA C 13 57.997 0.000 . . . . . A 23 SER CA . 30290 1 225 . 1 1 23 23 SER CB C 13 61.478 0.000 . . . . . A 23 SER CB . 30290 1 226 . 1 1 23 23 SER N N 15 125.358 0.097 . . . . . A 23 SER N . 30290 1 227 . 1 1 24 24 LYS H H 1 7.656 0.003 . . . . . A 24 LYS H . 30290 1 228 . 1 1 24 24 LYS HA H 1 4.747 0.012 . . . . . A 24 LYS HA . 30290 1 229 . 1 1 24 24 LYS HB2 H 1 1.617 0.001 . . . . . A 24 LYS HB2 . 30290 1 230 . 1 1 24 24 LYS HB3 H 1 1.455 0.001 . . . . . A 24 LYS HB3 . 30290 1 231 . 1 1 24 24 LYS HG2 H 1 1.321 0.000 . . . . . A 24 LYS HG2 . 30290 1 232 . 1 1 24 24 LYS HD2 H 1 1.477 0.000 . . . . . A 24 LYS HD2 . 30290 1 233 . 1 1 24 24 LYS HD3 H 1 1.368 0.000 . . . . . A 24 LYS HD3 . 30290 1 234 . 1 1 24 24 LYS HE2 H 1 2.698 0.000 . . . . . A 24 LYS HE2 . 30290 1 235 . 1 1 24 24 LYS C C 13 174.515 0.000 . . . . . A 24 LYS C . 30290 1 236 . 1 1 24 24 LYS CA C 13 51.895 0.052 . . . . . A 24 LYS CA . 30290 1 237 . 1 1 24 24 LYS CB C 13 31.479 0.073 . . . . . A 24 LYS CB . 30290 1 238 . 1 1 24 24 LYS CG C 13 22.361 0.058 . . . . . A 24 LYS CG . 30290 1 239 . 1 1 24 24 LYS CD C 13 27.617 0.046 . . . . . A 24 LYS CD . 30290 1 240 . 1 1 24 24 LYS CE C 13 40.048 0.036 . . . . . A 24 LYS CE . 30290 1 241 . 1 1 24 24 LYS N N 15 122.366 0.053 . . . . . A 24 LYS N . 30290 1 242 . 1 1 25 25 PRO HA H 1 4.777 0.017 . . . . . A 25 PRO HA . 30290 1 243 . 1 1 25 25 PRO HB2 H 1 2.123 0.000 . . . . . A 25 PRO HB2 . 30290 1 244 . 1 1 25 25 PRO HB3 H 1 1.836 0.000 . . . . . A 25 PRO HB3 . 30290 1 245 . 1 1 25 25 PRO HG2 H 1 2.298 0.000 . . . . . A 25 PRO HG2 . 30290 1 246 . 1 1 25 25 PRO HD2 H 1 3.880 0.000 . . . . . A 25 PRO HD2 . 30290 1 247 . 1 1 25 25 PRO HD3 H 1 3.867 0.000 . . . . . A 25 PRO HD3 . 30290 1 248 . 1 1 25 25 PRO C C 13 174.309 0.000 . . . . . A 25 PRO C . 30290 1 249 . 1 1 25 25 PRO CA C 13 61.787 0.018 . . . . . A 25 PRO CA . 30290 1 250 . 1 1 25 25 PRO CB C 13 30.030 0.000 . . . . . A 25 PRO CB . 30290 1 251 . 1 1 25 25 PRO CG C 13 26.252 0.000 . . . . . A 25 PRO CG . 30290 1 252 . 1 1 25 25 PRO CD C 13 49.588 0.000 . . . . . A 25 PRO CD . 30290 1 253 . 1 1 26 26 VAL H H 1 8.547 0.012 . . . . . A 26 VAL H . 30290 1 254 . 1 1 26 26 VAL HA H 1 5.020 0.012 . . . . . A 26 VAL HA . 30290 1 255 . 1 1 26 26 VAL HB H 1 1.846 0.000 . . . . . A 26 VAL HB . 30290 1 256 . 1 1 26 26 VAL HG11 H 1 1.013 0.000 . . . . . A 26 VAL HG11 . 30290 1 257 . 1 1 26 26 VAL HG12 H 1 1.013 0.000 . . . . . A 26 VAL HG12 . 30290 1 258 . 1 1 26 26 VAL HG13 H 1 1.013 0.000 . . . . . A 26 VAL HG13 . 30290 1 259 . 1 1 26 26 VAL HG21 H 1 0.614 0.000 . . . . . A 26 VAL HG21 . 30290 1 260 . 1 1 26 26 VAL HG22 H 1 0.614 0.000 . . . . . A 26 VAL HG22 . 30290 1 261 . 1 1 26 26 VAL HG23 H 1 0.614 0.000 . . . . . A 26 VAL HG23 . 30290 1 262 . 1 1 26 26 VAL C C 13 175.249 0.000 . . . . . A 26 VAL C . 30290 1 263 . 1 1 26 26 VAL CA C 13 57.666 0.021 . . . . . A 26 VAL CA . 30290 1 264 . 1 1 26 26 VAL CB C 13 33.248 0.000 . . . . . A 26 VAL CB . 30290 1 265 . 1 1 26 26 VAL CG1 C 13 20.579 0.000 . . . . . A 26 VAL CG1 . 30290 1 266 . 1 1 26 26 VAL CG2 C 13 19.158 0.000 . . . . . A 26 VAL CG2 . 30290 1 267 . 1 1 26 26 VAL N N 15 119.698 0.013 . . . . . A 26 VAL N . 30290 1 268 . 1 1 27 27 LEU H H 1 9.293 0.012 . . . . . A 27 LEU H . 30290 1 269 . 1 1 27 27 LEU HA H 1 4.870 0.019 . . . . . A 27 LEU HA . 30290 1 270 . 1 1 27 27 LEU HB2 H 1 1.139 0.000 . . . . . A 27 LEU HB2 . 30290 1 271 . 1 1 27 27 LEU HB3 H 1 2.025 0.000 . . . . . A 27 LEU HB3 . 30290 1 272 . 1 1 27 27 LEU HG H 1 1.293 0.000 . . . . . A 27 LEU HG . 30290 1 273 . 1 1 27 27 LEU HD11 H 1 1.146 0.000 . . . . . A 27 LEU HD11 . 30290 1 274 . 1 1 27 27 LEU HD12 H 1 1.146 0.000 . . . . . A 27 LEU HD12 . 30290 1 275 . 1 1 27 27 LEU HD13 H 1 1.146 0.000 . . . . . A 27 LEU HD13 . 30290 1 276 . 1 1 27 27 LEU HD21 H 1 0.770 0.000 . . . . . A 27 LEU HD21 . 30290 1 277 . 1 1 27 27 LEU HD22 H 1 0.770 0.000 . . . . . A 27 LEU HD22 . 30290 1 278 . 1 1 27 27 LEU HD23 H 1 0.770 0.000 . . . . . A 27 LEU HD23 . 30290 1 279 . 1 1 27 27 LEU C C 13 173.513 0.000 . . . . . A 27 LEU C . 30290 1 280 . 1 1 27 27 LEU CA C 13 51.175 0.082 . . . . . A 27 LEU CA . 30290 1 281 . 1 1 27 27 LEU CB C 13 42.368 0.000 . . . . . A 27 LEU CB . 30290 1 282 . 1 1 27 27 LEU CG C 13 25.312 0.000 . . . . . A 27 LEU CG . 30290 1 283 . 1 1 27 27 LEU CD1 C 13 23.809 0.000 . . . . . A 27 LEU CD1 . 30290 1 284 . 1 1 27 27 LEU CD2 C 13 21.729 0.000 . . . . . A 27 LEU CD2 . 30290 1 285 . 1 1 27 27 LEU N N 15 130.487 0.035 . . . . . A 27 LEU N . 30290 1 286 . 1 1 28 28 VAL H H 1 9.428 0.013 . . . . . A 28 VAL H . 30290 1 287 . 1 1 28 28 VAL HA H 1 4.490 0.009 . . . . . A 28 VAL HA . 30290 1 288 . 1 1 28 28 VAL HB H 1 2.263 0.000 . . . . . A 28 VAL HB . 30290 1 289 . 1 1 28 28 VAL HG11 H 1 0.224 0.016 . . . . . A 28 VAL HG11 . 30290 1 290 . 1 1 28 28 VAL HG12 H 1 0.224 0.016 . . . . . A 28 VAL HG12 . 30290 1 291 . 1 1 28 28 VAL HG13 H 1 0.224 0.016 . . . . . A 28 VAL HG13 . 30290 1 292 . 1 1 28 28 VAL HG21 H 1 0.854 0.000 . . . . . A 28 VAL HG21 . 30290 1 293 . 1 1 28 28 VAL HG22 H 1 0.854 0.000 . . . . . A 28 VAL HG22 . 30290 1 294 . 1 1 28 28 VAL HG23 H 1 0.854 0.000 . . . . . A 28 VAL HG23 . 30290 1 295 . 1 1 28 28 VAL C C 13 174.498 0.000 . . . . . A 28 VAL C . 30290 1 296 . 1 1 28 28 VAL CA C 13 59.399 0.000 . . . . . A 28 VAL CA . 30290 1 297 . 1 1 28 28 VAL CB C 13 30.875 0.000 . . . . . A 28 VAL CB . 30290 1 298 . 1 1 28 28 VAL CG1 C 13 20.888 0.054 . . . . . A 28 VAL CG1 . 30290 1 299 . 1 1 28 28 VAL CG2 C 13 22.413 0.000 . . . . . A 28 VAL CG2 . 30290 1 300 . 1 1 28 28 VAL N N 15 127.347 0.051 . . . . . A 28 VAL N . 30290 1 301 . 1 1 29 29 ASP H H 1 9.258 0.011 . . . . . A 29 ASP H . 30290 1 302 . 1 1 29 29 ASP HA H 1 4.997 0.014 . . . . . A 29 ASP HA . 30290 1 303 . 1 1 29 29 ASP HB2 H 1 2.891 0.000 . . . . . A 29 ASP HB2 . 30290 1 304 . 1 1 29 29 ASP HB3 H 1 2.264 0.000 . . . . . A 29 ASP HB3 . 30290 1 305 . 1 1 29 29 ASP C C 13 173.897 0.000 . . . . . A 29 ASP C . 30290 1 306 . 1 1 29 29 ASP CA C 13 50.465 0.006 . . . . . A 29 ASP CA . 30290 1 307 . 1 1 29 29 ASP CB C 13 38.327 0.000 . . . . . A 29 ASP CB . 30290 1 308 . 1 1 29 29 ASP N N 15 125.939 0.037 . . . . . A 29 ASP N . 30290 1 309 . 1 1 30 30 PHE H H 1 9.314 0.005 . . . . . A 30 PHE H . 30290 1 310 . 1 1 30 30 PHE HA H 1 5.123 0.010 . . . . . A 30 PHE HA . 30290 1 311 . 1 1 30 30 PHE HB2 H 1 3.421 0.000 . . . . . A 30 PHE HB2 . 30290 1 312 . 1 1 30 30 PHE HB3 H 1 2.632 0.000 . . . . . A 30 PHE HB3 . 30290 1 313 . 1 1 30 30 PHE HD1 H 1 7.439 0.000 . . . . . A 30 PHE HD1 . 30290 1 314 . 1 1 30 30 PHE HD2 H 1 7.439 0.000 . . . . . A 30 PHE HD2 . 30290 1 315 . 1 1 30 30 PHE C C 13 173.472 0.000 . . . . . A 30 PHE C . 30290 1 316 . 1 1 30 30 PHE CA C 13 55.765 0.075 . . . . . A 30 PHE CA . 30290 1 317 . 1 1 30 30 PHE CB C 13 36.513 0.000 . . . . . A 30 PHE CB . 30290 1 318 . 1 1 30 30 PHE N N 15 128.523 0.038 . . . . . A 30 PHE N . 30290 1 319 . 1 1 31 31 TRP H H 1 8.620 0.003 . . . . . A 31 TRP H . 30290 1 320 . 1 1 31 31 TRP HA H 1 5.123 0.011 . . . . . A 31 TRP HA . 30290 1 321 . 1 1 31 31 TRP HB2 H 1 3.339 0.000 . . . . . A 31 TRP HB2 . 30290 1 322 . 1 1 31 31 TRP HB3 H 1 2.965 0.000 . . . . . A 31 TRP HB3 . 30290 1 323 . 1 1 31 31 TRP C C 13 171.366 0.000 . . . . . A 31 TRP C . 30290 1 324 . 1 1 31 31 TRP CA C 13 52.489 0.011 . . . . . A 31 TRP CA . 30290 1 325 . 1 1 31 31 TRP CB C 13 30.824 0.000 . . . . . A 31 TRP CB . 30290 1 326 . 1 1 31 31 TRP N N 15 121.809 0.037 . . . . . A 31 TRP N . 30290 1 327 . 1 1 32 32 ALA H H 1 7.051 0.003 . . . . . A 32 ALA H . 30290 1 328 . 1 1 32 32 ALA HA H 1 3.812 0.000 . . . . . A 32 ALA HA . 30290 1 329 . 1 1 32 32 ALA HB1 H 1 0.303 0.000 . . . . . A 32 ALA HB1 . 30290 1 330 . 1 1 32 32 ALA HB2 H 1 0.303 0.000 . . . . . A 32 ALA HB2 . 30290 1 331 . 1 1 32 32 ALA HB3 H 1 0.303 0.000 . . . . . A 32 ALA HB3 . 30290 1 332 . 1 1 32 32 ALA C C 13 179.309 0.000 . . . . . A 32 ALA C . 30290 1 333 . 1 1 32 32 ALA CA C 13 49.093 0.000 . . . . . A 32 ALA CA . 30290 1 334 . 1 1 32 32 ALA CB C 13 20.567 0.000 . . . . . A 32 ALA CB . 30290 1 335 . 1 1 32 32 ALA N N 15 116.962 0.020 . . . . . A 32 ALA N . 30290 1 336 . 1 1 33 33 THR H H 1 9.387 0.011 . . . . . A 33 THR H . 30290 1 337 . 1 1 33 33 THR HA H 1 3.956 0.000 . . . . . A 33 THR HA . 30290 1 338 . 1 1 33 33 THR HB H 1 4.196 0.012 . . . . . A 33 THR HB . 30290 1 339 . 1 1 33 33 THR HG21 H 1 1.292 0.000 . . . . . A 33 THR HG21 . 30290 1 340 . 1 1 33 33 THR HG22 H 1 1.292 0.000 . . . . . A 33 THR HG22 . 30290 1 341 . 1 1 33 33 THR HG23 H 1 1.292 0.000 . . . . . A 33 THR HG23 . 30290 1 342 . 1 1 33 33 THR C C 13 175.088 0.000 . . . . . A 33 THR C . 30290 1 343 . 1 1 33 33 THR CA C 13 63.016 0.000 . . . . . A 33 THR CA . 30290 1 344 . 1 1 33 33 THR CB C 13 67.351 0.005 . . . . . A 33 THR CB . 30290 1 345 . 1 1 33 33 THR CG2 C 13 19.827 0.000 . . . . . A 33 THR CG2 . 30290 1 346 . 1 1 33 33 THR N N 15 115.938 0.058 . . . . . A 33 THR N . 30290 1 347 . 1 1 34 34 TRP H H 1 6.532 0.009 . . . . . A 34 TRP H . 30290 1 348 . 1 1 34 34 TRP HA H 1 4.525 0.000 . . . . . A 34 TRP HA . 30290 1 349 . 1 1 34 34 TRP HB2 H 1 3.655 0.000 . . . . . A 34 TRP HB2 . 30290 1 350 . 1 1 34 34 TRP HB3 H 1 3.119 0.000 . . . . . A 34 TRP HB3 . 30290 1 351 . 1 1 34 34 TRP C C 13 175.757 0.000 . . . . . A 34 TRP C . 30290 1 352 . 1 1 34 34 TRP CA C 13 52.154 0.000 . . . . . A 34 TRP CA . 30290 1 353 . 1 1 34 34 TRP CB C 13 27.319 0.000 . . . . . A 34 TRP CB . 30290 1 354 . 1 1 34 34 TRP N N 15 114.738 0.030 . . . . . A 34 TRP N . 30290 1 355 . 1 1 35 35 CYS H H 1 6.446 0.004 . . . . . A 35 CYS H . 30290 1 356 . 1 1 35 35 CYS HA H 1 4.566 0.000 . . . . . A 35 CYS HA . 30290 1 357 . 1 1 35 35 CYS HB2 H 1 2.402 0.000 . . . . . A 35 CYS HB2 . 30290 1 358 . 1 1 35 35 CYS HB3 H 1 1.470 0.000 . . . . . A 35 CYS HB3 . 30290 1 359 . 1 1 35 35 CYS C C 13 175.388 0.006 . . . . . A 35 CYS C . 30290 1 360 . 1 1 35 35 CYS CA C 13 56.211 0.008 . . . . . A 35 CYS CA . 30290 1 361 . 1 1 35 35 CYS CB C 13 24.800 0.032 . . . . . A 35 CYS CB . 30290 1 362 . 1 1 35 35 CYS N N 15 121.940 0.043 . . . . . A 35 CYS N . 30290 1 363 . 1 1 36 36 GLY H H 1 9.487 0.011 . . . . . A 36 GLY H . 30290 1 364 . 1 1 36 36 GLY HA2 H 1 3.918 0.000 . . . . . A 36 GLY HA2 . 30290 1 365 . 1 1 36 36 GLY HA3 H 1 4.221 0.000 . . . . . A 36 GLY HA3 . 30290 1 366 . 1 1 36 36 GLY C C 13 175.635 0.000 . . . . . A 36 GLY C . 30290 1 367 . 1 1 36 36 GLY CA C 13 47.131 0.086 . . . . . A 36 GLY CA . 30290 1 368 . 1 1 36 36 GLY N N 15 120.480 0.071 . . . . . A 36 GLY N . 30290 1 369 . 1 1 37 37 PRO HA H 1 4.357 0.017 . . . . . A 37 PRO HA . 30290 1 370 . 1 1 37 37 PRO HB2 H 1 2.462 0.004 . . . . . A 37 PRO HB2 . 30290 1 371 . 1 1 37 37 PRO HB3 H 1 1.731 0.000 . . . . . A 37 PRO HB3 . 30290 1 372 . 1 1 37 37 PRO HG2 H 1 2.230 0.000 . . . . . A 37 PRO HG2 . 30290 1 373 . 1 1 37 37 PRO HG3 H 1 2.009 0.000 . . . . . A 37 PRO HG3 . 30290 1 374 . 1 1 37 37 PRO C C 13 178.478 0.000 . . . . . A 37 PRO C . 30290 1 375 . 1 1 37 37 PRO CA C 13 63.785 0.010 . . . . . A 37 PRO CA . 30290 1 376 . 1 1 37 37 PRO CB C 13 30.534 0.000 . . . . . A 37 PRO CB . 30290 1 377 . 1 1 37 37 PRO CG C 13 25.796 0.000 . . . . . A 37 PRO CG . 30290 1 378 . 1 1 38 38 CYS H H 1 7.828 0.013 . . . . . A 38 CYS H . 30290 1 379 . 1 1 38 38 CYS HA H 1 4.052 0.011 . . . . . A 38 CYS HA . 30290 1 380 . 1 1 38 38 CYS HB2 H 1 3.558 0.000 . . . . . A 38 CYS HB2 . 30290 1 381 . 1 1 38 38 CYS HB3 H 1 3.303 0.000 . . . . . A 38 CYS HB3 . 30290 1 382 . 1 1 38 38 CYS C C 13 177.268 0.000 . . . . . A 38 CYS C . 30290 1 383 . 1 1 38 38 CYS CA C 13 62.006 0.015 . . . . . A 38 CYS CA . 30290 1 384 . 1 1 38 38 CYS CB C 13 25.494 0.000 . . . . . A 38 CYS CB . 30290 1 385 . 1 1 38 38 CYS N N 15 114.015 0.051 . . . . . A 38 CYS N . 30290 1 386 . 1 1 39 39 LYS H H 1 8.033 0.003 . . . . . A 39 LYS H . 30290 1 387 . 1 1 39 39 LYS HA H 1 4.067 0.000 . . . . . A 39 LYS HA . 30290 1 388 . 1 1 39 39 LYS HB2 H 1 1.937 0.000 . . . . . A 39 LYS HB2 . 30290 1 389 . 1 1 39 39 LYS HG2 H 1 1.584 0.000 . . . . . A 39 LYS HG2 . 30290 1 390 . 1 1 39 39 LYS HG3 H 1 1.458 0.000 . . . . . A 39 LYS HG3 . 30290 1 391 . 1 1 39 39 LYS HD2 H 1 1.721 0.000 . . . . . A 39 LYS HD2 . 30290 1 392 . 1 1 39 39 LYS HE2 H 1 3.007 0.000 . . . . . A 39 LYS HE2 . 30290 1 393 . 1 1 39 39 LYS C C 13 178.548 0.000 . . . . . A 39 LYS C . 30290 1 394 . 1 1 39 39 LYS CA C 13 56.819 0.000 . . . . . A 39 LYS CA . 30290 1 395 . 1 1 39 39 LYS CB C 13 29.873 0.000 . . . . . A 39 LYS CB . 30290 1 396 . 1 1 39 39 LYS CG C 13 23.443 0.000 . . . . . A 39 LYS CG . 30290 1 397 . 1 1 39 39 LYS CD C 13 27.158 0.000 . . . . . A 39 LYS CD . 30290 1 398 . 1 1 39 39 LYS CE C 13 40.259 0.000 . . . . . A 39 LYS CE . 30290 1 399 . 1 1 39 39 LYS N N 15 120.161 0.034 . . . . . A 39 LYS N . 30290 1 400 . 1 1 40 40 MET H H 1 7.319 0.018 . . . . . A 40 MET H . 30290 1 401 . 1 1 40 40 MET HA H 1 4.272 0.000 . . . . . A 40 MET HA . 30290 1 402 . 1 1 40 40 MET HB2 H 1 2.156 0.000 . . . . . A 40 MET HB2 . 30290 1 403 . 1 1 40 40 MET HG2 H 1 2.635 0.000 . . . . . A 40 MET HG2 . 30290 1 404 . 1 1 40 40 MET HG3 H 1 2.516 0.000 . . . . . A 40 MET HG3 . 30290 1 405 . 1 1 40 40 MET C C 13 177.947 0.000 . . . . . A 40 MET C . 30290 1 406 . 1 1 40 40 MET CA C 13 55.449 0.000 . . . . . A 40 MET CA . 30290 1 407 . 1 1 40 40 MET CB C 13 30.209 0.000 . . . . . A 40 MET CB . 30290 1 408 . 1 1 40 40 MET N N 15 116.231 0.012 . . . . . A 40 MET N . 30290 1 409 . 1 1 41 41 VAL H H 1 7.195 0.011 . . . . . A 41 VAL H . 30290 1 410 . 1 1 41 41 VAL HA H 1 4.126 0.015 . . . . . A 41 VAL HA . 30290 1 411 . 1 1 41 41 VAL HB H 1 2.041 0.000 . . . . . A 41 VAL HB . 30290 1 412 . 1 1 41 41 VAL HG11 H 1 1.094 0.000 . . . . . A 41 VAL HG11 . 30290 1 413 . 1 1 41 41 VAL HG12 H 1 1.094 0.000 . . . . . A 41 VAL HG12 . 30290 1 414 . 1 1 41 41 VAL HG13 H 1 1.094 0.000 . . . . . A 41 VAL HG13 . 30290 1 415 . 1 1 41 41 VAL HG21 H 1 0.954 0.000 . . . . . A 41 VAL HG21 . 30290 1 416 . 1 1 41 41 VAL HG22 H 1 0.954 0.000 . . . . . A 41 VAL HG22 . 30290 1 417 . 1 1 41 41 VAL HG23 H 1 0.954 0.000 . . . . . A 41 VAL HG23 . 30290 1 418 . 1 1 41 41 VAL C C 13 176.416 0.000 . . . . . A 41 VAL C . 30290 1 419 . 1 1 41 41 VAL CA C 13 60.696 0.008 . . . . . A 41 VAL CA . 30290 1 420 . 1 1 41 41 VAL CB C 13 31.087 0.000 . . . . . A 41 VAL CB . 30290 1 421 . 1 1 41 41 VAL CG1 C 13 20.256 0.000 . . . . . A 41 VAL CG1 . 30290 1 422 . 1 1 41 41 VAL CG2 C 13 18.902 0.000 . . . . . A 41 VAL CG2 . 30290 1 423 . 1 1 41 41 VAL N N 15 114.610 0.071 . . . . . A 41 VAL N . 30290 1 424 . 1 1 42 42 ALA H H 1 7.324 0.011 . . . . . A 42 ALA H . 30290 1 425 . 1 1 42 42 ALA HA H 1 3.888 0.016 . . . . . A 42 ALA HA . 30290 1 426 . 1 1 42 42 ALA HB1 H 1 1.265 0.000 . . . . . A 42 ALA HB1 . 30290 1 427 . 1 1 42 42 ALA HB2 H 1 1.265 0.000 . . . . . A 42 ALA HB2 . 30290 1 428 . 1 1 42 42 ALA HB3 H 1 1.265 0.000 . . . . . A 42 ALA HB3 . 30290 1 429 . 1 1 42 42 ALA C C 13 176.593 0.000 . . . . . A 42 ALA C . 30290 1 430 . 1 1 42 42 ALA CA C 13 55.471 0.014 . . . . . A 42 ALA CA . 30290 1 431 . 1 1 42 42 ALA CB C 13 13.223 0.054 . . . . . A 42 ALA CB . 30290 1 432 . 1 1 42 42 ALA N N 15 124.055 0.050 . . . . . A 42 ALA N . 30290 1 433 . 1 1 43 43 PRO HA H 1 4.282 0.000 . . . . . A 43 PRO HA . 30290 1 434 . 1 1 43 43 PRO HB2 H 1 2.260 0.000 . . . . . A 43 PRO HB2 . 30290 1 435 . 1 1 43 43 PRO HB3 H 1 1.883 0.000 . . . . . A 43 PRO HB3 . 30290 1 436 . 1 1 43 43 PRO HG2 H 1 1.989 0.000 . . . . . A 43 PRO HG2 . 30290 1 437 . 1 1 43 43 PRO HD2 H 1 3.676 0.000 . . . . . A 43 PRO HD2 . 30290 1 438 . 1 1 43 43 PRO C C 13 179.405 0.000 . . . . . A 43 PRO C . 30290 1 439 . 1 1 43 43 PRO CA C 13 63.775 0.000 . . . . . A 43 PRO CA . 30290 1 440 . 1 1 43 43 PRO CB C 13 28.868 0.000 . . . . . A 43 PRO CB . 30290 1 441 . 1 1 43 43 PRO CG C 13 26.063 0.000 . . . . . A 43 PRO CG . 30290 1 442 . 1 1 43 43 PRO CD C 13 48.554 0.000 . . . . . A 43 PRO CD . 30290 1 443 . 1 1 44 44 VAL H H 1 6.671 0.012 . . . . . A 44 VAL H . 30290 1 444 . 1 1 44 44 VAL HA H 1 3.644 0.018 . . . . . A 44 VAL HA . 30290 1 445 . 1 1 44 44 VAL HB H 1 2.322 0.000 . . . . . A 44 VAL HB . 30290 1 446 . 1 1 44 44 VAL HG11 H 1 0.795 0.000 . . . . . A 44 VAL HG11 . 30290 1 447 . 1 1 44 44 VAL HG12 H 1 0.795 0.000 . . . . . A 44 VAL HG12 . 30290 1 448 . 1 1 44 44 VAL HG13 H 1 0.795 0.000 . . . . . A 44 VAL HG13 . 30290 1 449 . 1 1 44 44 VAL HG21 H 1 1.121 0.000 . . . . . A 44 VAL HG21 . 30290 1 450 . 1 1 44 44 VAL HG22 H 1 1.121 0.000 . . . . . A 44 VAL HG22 . 30290 1 451 . 1 1 44 44 VAL HG23 H 1 1.121 0.000 . . . . . A 44 VAL HG23 . 30290 1 452 . 1 1 44 44 VAL C C 13 178.113 0.000 . . . . . A 44 VAL C . 30290 1 453 . 1 1 44 44 VAL CA C 13 63.608 0.070 . . . . . A 44 VAL CA . 30290 1 454 . 1 1 44 44 VAL CB C 13 29.324 0.000 . . . . . A 44 VAL CB . 30290 1 455 . 1 1 44 44 VAL CG1 C 13 20.206 0.024 . . . . . A 44 VAL CG1 . 30290 1 456 . 1 1 44 44 VAL CG2 C 13 19.279 0.000 . . . . . A 44 VAL CG2 . 30290 1 457 . 1 1 44 44 VAL N N 15 118.877 0.084 . . . . . A 44 VAL N . 30290 1 458 . 1 1 45 45 LEU H H 1 7.737 0.011 . . . . . A 45 LEU H . 30290 1 459 . 1 1 45 45 LEU HA H 1 3.796 0.000 . . . . . A 45 LEU HA . 30290 1 460 . 1 1 45 45 LEU HB2 H 1 1.835 0.000 . . . . . A 45 LEU HB2 . 30290 1 461 . 1 1 45 45 LEU HB3 H 1 1.181 0.000 . . . . . A 45 LEU HB3 . 30290 1 462 . 1 1 45 45 LEU HG H 1 1.624 0.000 . . . . . A 45 LEU HG . 30290 1 463 . 1 1 45 45 LEU HD11 H 1 0.652 0.000 . . . . . A 45 LEU HD11 . 30290 1 464 . 1 1 45 45 LEU HD12 H 1 0.652 0.000 . . . . . A 45 LEU HD12 . 30290 1 465 . 1 1 45 45 LEU HD13 H 1 0.652 0.000 . . . . . A 45 LEU HD13 . 30290 1 466 . 1 1 45 45 LEU C C 13 178.714 0.000 . . . . . A 45 LEU C . 30290 1 467 . 1 1 45 45 LEU CA C 13 55.696 0.000 . . . . . A 45 LEU CA . 30290 1 468 . 1 1 45 45 LEU CB C 13 39.033 0.000 . . . . . A 45 LEU CB . 30290 1 469 . 1 1 45 45 LEU CG C 13 24.613 0.000 . . . . . A 45 LEU CG . 30290 1 470 . 1 1 45 45 LEU CD1 C 13 20.319 0.000 . . . . . A 45 LEU CD1 . 30290 1 471 . 1 1 45 45 LEU CD2 C 13 24.299 0.000 . . . . . A 45 LEU CD2 . 30290 1 472 . 1 1 45 45 LEU N N 15 118.130 0.031 . . . . . A 45 LEU N . 30290 1 473 . 1 1 46 46 GLU H H 1 7.386 0.014 . . . . . A 46 GLU H . 30290 1 474 . 1 1 46 46 GLU HA H 1 3.848 0.012 . . . . . A 46 GLU HA . 30290 1 475 . 1 1 46 46 GLU HB2 H 1 2.086 0.000 . . . . . A 46 GLU HB2 . 30290 1 476 . 1 1 46 46 GLU HB3 H 1 2.004 0.000 . . . . . A 46 GLU HB3 . 30290 1 477 . 1 1 46 46 GLU HG2 H 1 2.286 0.000 . . . . . A 46 GLU HG2 . 30290 1 478 . 1 1 46 46 GLU C C 13 179.161 0.000 . . . . . A 46 GLU C . 30290 1 479 . 1 1 46 46 GLU CA C 13 56.927 0.028 . . . . . A 46 GLU CA . 30290 1 480 . 1 1 46 46 GLU CB C 13 26.703 0.000 . . . . . A 46 GLU CB . 30290 1 481 . 1 1 46 46 GLU CG C 13 32.972 0.000 . . . . . A 46 GLU CG . 30290 1 482 . 1 1 46 46 GLU N N 15 116.727 0.030 . . . . . A 46 GLU N . 30290 1 483 . 1 1 47 47 GLU H H 1 7.508 0.008 . . . . . A 47 GLU H . 30290 1 484 . 1 1 47 47 GLU HA H 1 4.021 0.000 . . . . . A 47 GLU HA . 30290 1 485 . 1 1 47 47 GLU HB2 H 1 2.167 0.000 . . . . . A 47 GLU HB2 . 30290 1 486 . 1 1 47 47 GLU HB3 H 1 1.963 0.000 . . . . . A 47 GLU HB3 . 30290 1 487 . 1 1 47 47 GLU HG2 H 1 2.512 0.000 . . . . . A 47 GLU HG2 . 30290 1 488 . 1 1 47 47 GLU HG3 H 1 2.116 0.000 . . . . . A 47 GLU HG3 . 30290 1 489 . 1 1 47 47 GLU C C 13 179.128 0.000 . . . . . A 47 GLU C . 30290 1 490 . 1 1 47 47 GLU CA C 13 57.901 0.000 . . . . . A 47 GLU CA . 30290 1 491 . 1 1 47 47 GLU CB C 13 27.633 0.000 . . . . . A 47 GLU CB . 30290 1 492 . 1 1 47 47 GLU CG C 13 34.640 0.000 . . . . . A 47 GLU CG . 30290 1 493 . 1 1 47 47 GLU N N 15 119.129 0.039 . . . . . A 47 GLU N . 30290 1 494 . 1 1 48 48 ILE H H 1 8.182 0.011 . . . . . A 48 ILE H . 30290 1 495 . 1 1 48 48 ILE HA H 1 3.438 0.015 . . . . . A 48 ILE HA . 30290 1 496 . 1 1 48 48 ILE HB H 1 1.703 0.000 . . . . . A 48 ILE HB . 30290 1 497 . 1 1 48 48 ILE HG12 H 1 0.848 0.013 . . . . . A 48 ILE HG12 . 30290 1 498 . 1 1 48 48 ILE HG21 H 1 0.540 0.010 . . . . . A 48 ILE HG21 . 30290 1 499 . 1 1 48 48 ILE HG22 H 1 0.540 0.010 . . . . . A 48 ILE HG22 . 30290 1 500 . 1 1 48 48 ILE HG23 H 1 0.540 0.010 . . . . . A 48 ILE HG23 . 30290 1 501 . 1 1 48 48 ILE HD11 H 1 0.674 0.000 . . . . . A 48 ILE HD11 . 30290 1 502 . 1 1 48 48 ILE HD12 H 1 0.674 0.000 . . . . . A 48 ILE HD12 . 30290 1 503 . 1 1 48 48 ILE HD13 H 1 0.674 0.000 . . . . . A 48 ILE HD13 . 30290 1 504 . 1 1 48 48 ILE C C 13 177.029 0.000 . . . . . A 48 ILE C . 30290 1 505 . 1 1 48 48 ILE CA C 13 63.763 0.025 . . . . . A 48 ILE CA . 30290 1 506 . 1 1 48 48 ILE CB C 13 35.751 0.000 . . . . . A 48 ILE CB . 30290 1 507 . 1 1 48 48 ILE CG1 C 13 27.596 0.026 . . . . . A 48 ILE CG1 . 30290 1 508 . 1 1 48 48 ILE CG2 C 13 14.441 0.065 . . . . . A 48 ILE CG2 . 30290 1 509 . 1 1 48 48 ILE CD1 C 13 12.144 0.000 . . . . . A 48 ILE CD1 . 30290 1 510 . 1 1 48 48 ILE N N 15 118.735 0.033 . . . . . A 48 ILE N . 30290 1 511 . 1 1 49 49 ALA H H 1 8.359 0.013 . . . . . A 49 ALA H . 30290 1 512 . 1 1 49 49 ALA HA H 1 3.777 0.018 . . . . . A 49 ALA HA . 30290 1 513 . 1 1 49 49 ALA HB1 H 1 1.280 0.000 . . . . . A 49 ALA HB1 . 30290 1 514 . 1 1 49 49 ALA HB2 H 1 1.280 0.000 . . . . . A 49 ALA HB2 . 30290 1 515 . 1 1 49 49 ALA HB3 H 1 1.280 0.000 . . . . . A 49 ALA HB3 . 30290 1 516 . 1 1 49 49 ALA C C 13 179.762 0.000 . . . . . A 49 ALA C . 30290 1 517 . 1 1 49 49 ALA CA C 13 52.966 0.087 . . . . . A 49 ALA CA . 30290 1 518 . 1 1 49 49 ALA CB C 13 16.566 0.000 . . . . . A 49 ALA CB . 30290 1 519 . 1 1 49 49 ALA N N 15 121.062 0.047 . . . . . A 49 ALA N . 30290 1 520 . 1 1 50 50 ALA H H 1 7.554 0.001 . . . . . A 50 ALA H . 30290 1 521 . 1 1 50 50 ALA HA H 1 4.120 0.016 . . . . . A 50 ALA HA . 30290 1 522 . 1 1 50 50 ALA HB1 H 1 1.476 0.000 . . . . . A 50 ALA HB1 . 30290 1 523 . 1 1 50 50 ALA HB2 H 1 1.476 0.000 . . . . . A 50 ALA HB2 . 30290 1 524 . 1 1 50 50 ALA HB3 H 1 1.476 0.000 . . . . . A 50 ALA HB3 . 30290 1 525 . 1 1 50 50 ALA C C 13 180.119 0.000 . . . . . A 50 ALA C . 30290 1 526 . 1 1 50 50 ALA CA C 13 52.429 0.048 . . . . . A 50 ALA CA . 30290 1 527 . 1 1 50 50 ALA CB C 13 16.534 0.000 . . . . . A 50 ALA CB . 30290 1 528 . 1 1 50 50 ALA N N 15 118.225 0.041 . . . . . A 50 ALA N . 30290 1 529 . 1 1 51 51 GLU H H 1 8.225 0.006 . . . . . A 51 GLU H . 30290 1 530 . 1 1 51 51 GLU HA H 1 4.096 0.000 . . . . . A 51 GLU HA . 30290 1 531 . 1 1 51 51 GLU HB2 H 1 1.976 0.000 . . . . . A 51 GLU HB2 . 30290 1 532 . 1 1 51 51 GLU HB3 H 1 2.034 0.000 . . . . . A 51 GLU HB3 . 30290 1 533 . 1 1 51 51 GLU HG2 H 1 2.439 0.000 . . . . . A 51 GLU HG2 . 30290 1 534 . 1 1 51 51 GLU HG3 H 1 2.206 0.000 . . . . . A 51 GLU HG3 . 30290 1 535 . 1 1 51 51 GLU C C 13 178.823 0.000 . . . . . A 51 GLU C . 30290 1 536 . 1 1 51 51 GLU CA C 13 56.513 0.000 . . . . . A 51 GLU CA . 30290 1 537 . 1 1 51 51 GLU CB C 13 28.699 0.000 . . . . . A 51 GLU CB . 30290 1 538 . 1 1 51 51 GLU CG C 13 34.384 0.000 . . . . . A 51 GLU CG . 30290 1 539 . 1 1 51 51 GLU N N 15 117.613 0.067 . . . . . A 51 GLU N . 30290 1 540 . 1 1 52 52 LYS H H 1 8.423 0.011 . . . . . A 52 LYS H . 30290 1 541 . 1 1 52 52 LYS HA H 1 4.701 0.000 . . . . . A 52 LYS HA . 30290 1 542 . 1 1 52 52 LYS HB2 H 1 1.949 0.000 . . . . . A 52 LYS HB2 . 30290 1 543 . 1 1 52 52 LYS HB3 H 1 1.662 0.000 . . . . . A 52 LYS HB3 . 30290 1 544 . 1 1 52 52 LYS HG2 H 1 1.207 0.000 . . . . . A 52 LYS HG2 . 30290 1 545 . 1 1 52 52 LYS HD2 H 1 1.394 0.000 . . . . . A 52 LYS HD2 . 30290 1 546 . 1 1 52 52 LYS HE2 H 1 2.762 0.000 . . . . . A 52 LYS HE2 . 30290 1 547 . 1 1 52 52 LYS C C 13 177.677 0.000 . . . . . A 52 LYS C . 30290 1 548 . 1 1 52 52 LYS CA C 13 52.215 0.000 . . . . . A 52 LYS CA . 30290 1 549 . 1 1 52 52 LYS CB C 13 29.670 0.000 . . . . . A 52 LYS CB . 30290 1 550 . 1 1 52 52 LYS CG C 13 22.499 0.000 . . . . . A 52 LYS CG . 30290 1 551 . 1 1 52 52 LYS CD C 13 26.134 0.000 . . . . . A 52 LYS CD . 30290 1 552 . 1 1 52 52 LYS CE C 13 39.871 0.000 . . . . . A 52 LYS CE . 30290 1 553 . 1 1 52 52 LYS N N 15 115.690 0.034 . . . . . A 52 LYS N . 30290 1 554 . 1 1 53 53 GLY H H 1 7.460 0.013 . . . . . A 53 GLY H . 30290 1 555 . 1 1 53 53 GLY HA2 H 1 3.976 0.018 . . . . . A 53 GLY HA2 . 30290 1 556 . 1 1 53 53 GLY HA3 H 1 4.248 0.020 . . . . . A 53 GLY HA3 . 30290 1 557 . 1 1 53 53 GLY C C 13 174.512 0.000 . . . . . A 53 GLY C . 30290 1 558 . 1 1 53 53 GLY CA C 13 45.674 0.058 . . . . . A 53 GLY CA . 30290 1 559 . 1 1 53 53 GLY N N 15 108.418 0.044 . . . . . A 53 GLY N . 30290 1 560 . 1 1 54 54 ASP H H 1 8.642 0.005 . . . . . A 54 ASP H . 30290 1 561 . 1 1 54 54 ASP HA H 1 4.425 0.000 . . . . . A 54 ASP HA . 30290 1 562 . 1 1 54 54 ASP HB2 H 1 2.637 0.000 . . . . . A 54 ASP HB2 . 30290 1 563 . 1 1 54 54 ASP C C 13 176.834 0.000 . . . . . A 54 ASP C . 30290 1 564 . 1 1 54 54 ASP CA C 13 53.647 0.000 . . . . . A 54 ASP CA . 30290 1 565 . 1 1 54 54 ASP CB C 13 38.058 0.000 . . . . . A 54 ASP CB . 30290 1 566 . 1 1 54 54 ASP N N 15 118.457 0.038 . . . . . A 54 ASP N . 30290 1 567 . 1 1 55 55 GLN H H 1 8.021 0.002 . . . . . A 55 GLN H . 30290 1 568 . 1 1 55 55 GLN HA H 1 4.333 0.000 . . . . . A 55 GLN HA . 30290 1 569 . 1 1 55 55 GLN HB2 H 1 2.092 0.000 . . . . . A 55 GLN HB2 . 30290 1 570 . 1 1 55 55 GLN HB3 H 1 1.939 0.000 . . . . . A 55 GLN HB3 . 30290 1 571 . 1 1 55 55 GLN HG2 H 1 2.294 0.000 . . . . . A 55 GLN HG2 . 30290 1 572 . 1 1 55 55 GLN HE21 H 1 6.835 0.005 . . . . . A 55 GLN HE21 . 30290 1 573 . 1 1 55 55 GLN HE22 H 1 7.605 0.006 . . . . . A 55 GLN HE22 . 30290 1 574 . 1 1 55 55 GLN C C 13 174.849 0.000 . . . . . A 55 GLN C . 30290 1 575 . 1 1 55 55 GLN CA C 13 54.483 0.000 . . . . . A 55 GLN CA . 30290 1 576 . 1 1 55 55 GLN CB C 13 29.721 0.018 . . . . . A 55 GLN CB . 30290 1 577 . 1 1 55 55 GLN CG C 13 32.363 0.064 . . . . . A 55 GLN CG . 30290 1 578 . 1 1 55 55 GLN CD C 13 180.072 0.000 . . . . . A 55 GLN CD . 30290 1 579 . 1 1 55 55 GLN N N 15 111.569 0.000 . . . . . A 55 GLN N . 30290 1 580 . 1 1 55 55 GLN NE2 N 15 112.210 0.060 . . . . . A 55 GLN NE2 . 30290 1 581 . 1 1 56 56 LEU H H 1 7.836 0.008 . . . . . A 56 LEU H . 30290 1 582 . 1 1 56 56 LEU HA H 1 4.684 0.000 . . . . . A 56 LEU HA . 30290 1 583 . 1 1 56 56 LEU HB2 H 1 1.546 0.000 . . . . . A 56 LEU HB2 . 30290 1 584 . 1 1 56 56 LEU HB3 H 1 1.211 0.000 . . . . . A 56 LEU HB3 . 30290 1 585 . 1 1 56 56 LEU HG H 1 1.349 0.000 . . . . . A 56 LEU HG . 30290 1 586 . 1 1 56 56 LEU HD11 H 1 0.652 0.000 . . . . . A 56 LEU HD11 . 30290 1 587 . 1 1 56 56 LEU HD12 H 1 0.652 0.000 . . . . . A 56 LEU HD12 . 30290 1 588 . 1 1 56 56 LEU HD13 H 1 0.652 0.000 . . . . . A 56 LEU HD13 . 30290 1 589 . 1 1 56 56 LEU HD21 H 1 0.528 0.010 . . . . . A 56 LEU HD21 . 30290 1 590 . 1 1 56 56 LEU HD22 H 1 0.528 0.010 . . . . . A 56 LEU HD22 . 30290 1 591 . 1 1 56 56 LEU HD23 H 1 0.528 0.010 . . . . . A 56 LEU HD23 . 30290 1 592 . 1 1 56 56 LEU C C 13 174.197 0.000 . . . . . A 56 LEU C . 30290 1 593 . 1 1 56 56 LEU CA C 13 52.456 0.000 . . . . . A 56 LEU CA . 30290 1 594 . 1 1 56 56 LEU CB C 13 43.871 0.027 . . . . . A 56 LEU CB . 30290 1 595 . 1 1 56 56 LEU CG C 13 27.673 0.000 . . . . . A 56 LEU CG . 30290 1 596 . 1 1 56 56 LEU CD1 C 13 22.457 0.017 . . . . . A 56 LEU CD1 . 30290 1 597 . 1 1 56 56 LEU CD2 C 13 24.609 0.063 . . . . . A 56 LEU CD2 . 30290 1 598 . 1 1 56 56 LEU N N 15 118.184 0.042 . . . . . A 56 LEU N . 30290 1 599 . 1 1 57 57 THR H H 1 8.507 0.012 . . . . . A 57 THR H . 30290 1 600 . 1 1 57 57 THR HA H 1 4.381 0.000 . . . . . A 57 THR HA . 30290 1 601 . 1 1 57 57 THR HB H 1 3.857 0.011 . . . . . A 57 THR HB . 30290 1 602 . 1 1 57 57 THR HG21 H 1 1.089 0.000 . . . . . A 57 THR HG21 . 30290 1 603 . 1 1 57 57 THR HG22 H 1 1.089 0.000 . . . . . A 57 THR HG22 . 30290 1 604 . 1 1 57 57 THR HG23 H 1 1.089 0.000 . . . . . A 57 THR HG23 . 30290 1 605 . 1 1 57 57 THR C C 13 172.586 0.000 . . . . . A 57 THR C . 30290 1 606 . 1 1 57 57 THR CA C 13 59.735 0.000 . . . . . A 57 THR CA . 30290 1 607 . 1 1 57 57 THR CB C 13 68.638 0.025 . . . . . A 57 THR CB . 30290 1 608 . 1 1 57 57 THR CG2 C 13 20.249 0.000 . . . . . A 57 THR CG2 . 30290 1 609 . 1 1 57 57 THR N N 15 122.279 0.058 . . . . . A 57 THR N . 30290 1 610 . 1 1 58 58 VAL H H 1 9.283 0.011 . . . . . A 58 VAL H . 30290 1 611 . 1 1 58 58 VAL HA H 1 4.744 0.000 . . . . . A 58 VAL HA . 30290 1 612 . 1 1 58 58 VAL HB H 1 1.837 0.000 . . . . . A 58 VAL HB . 30290 1 613 . 1 1 58 58 VAL HG11 H 1 0.705 0.008 . . . . . A 58 VAL HG11 . 30290 1 614 . 1 1 58 58 VAL HG12 H 1 0.705 0.008 . . . . . A 58 VAL HG12 . 30290 1 615 . 1 1 58 58 VAL HG13 H 1 0.705 0.008 . . . . . A 58 VAL HG13 . 30290 1 616 . 1 1 58 58 VAL HG21 H 1 0.762 0.000 . . . . . A 58 VAL HG21 . 30290 1 617 . 1 1 58 58 VAL HG22 H 1 0.762 0.000 . . . . . A 58 VAL HG22 . 30290 1 618 . 1 1 58 58 VAL HG23 H 1 0.762 0.000 . . . . . A 58 VAL HG23 . 30290 1 619 . 1 1 58 58 VAL C C 13 172.878 0.000 . . . . . A 58 VAL C . 30290 1 620 . 1 1 58 58 VAL CA C 13 59.858 0.000 . . . . . A 58 VAL CA . 30290 1 621 . 1 1 58 58 VAL CB C 13 30.348 0.000 . . . . . A 58 VAL CB . 30290 1 622 . 1 1 58 58 VAL CG1 C 13 18.759 0.043 . . . . . A 58 VAL CG1 . 30290 1 623 . 1 1 58 58 VAL CG2 C 13 20.232 0.000 . . . . . A 58 VAL CG2 . 30290 1 624 . 1 1 58 58 VAL N N 15 128.216 0.036 . . . . . A 58 VAL N . 30290 1 625 . 1 1 59 59 ALA H H 1 9.260 0.009 . . . . . A 59 ALA H . 30290 1 626 . 1 1 59 59 ALA HA H 1 5.538 0.019 . . . . . A 59 ALA HA . 30290 1 627 . 1 1 59 59 ALA HB1 H 1 0.944 0.006 . . . . . A 59 ALA HB1 . 30290 1 628 . 1 1 59 59 ALA HB2 H 1 0.944 0.006 . . . . . A 59 ALA HB2 . 30290 1 629 . 1 1 59 59 ALA HB3 H 1 0.944 0.006 . . . . . A 59 ALA HB3 . 30290 1 630 . 1 1 59 59 ALA C C 13 175.827 0.000 . . . . . A 59 ALA C . 30290 1 631 . 1 1 59 59 ALA CA C 13 46.639 0.050 . . . . . A 59 ALA CA . 30290 1 632 . 1 1 59 59 ALA CB C 13 21.379 0.000 . . . . . A 59 ALA CB . 30290 1 633 . 1 1 59 59 ALA N N 15 129.973 0.039 . . . . . A 59 ALA N . 30290 1 634 . 1 1 60 60 LYS H H 1 8.907 0.004 . . . . . A 60 LYS H . 30290 1 635 . 1 1 60 60 LYS HA H 1 5.194 0.017 . . . . . A 60 LYS HA . 30290 1 636 . 1 1 60 60 LYS HB2 H 1 1.727 0.000 . . . . . A 60 LYS HB2 . 30290 1 637 . 1 1 60 60 LYS HB3 H 1 1.622 0.000 . . . . . A 60 LYS HB3 . 30290 1 638 . 1 1 60 60 LYS HG2 H 1 1.169 0.000 . . . . . A 60 LYS HG2 . 30290 1 639 . 1 1 60 60 LYS HD2 H 1 1.334 0.000 . . . . . A 60 LYS HD2 . 30290 1 640 . 1 1 60 60 LYS C C 13 174.933 0.000 . . . . . A 60 LYS C . 30290 1 641 . 1 1 60 60 LYS CA C 13 52.718 0.033 . . . . . A 60 LYS CA . 30290 1 642 . 1 1 60 60 LYS CB C 13 33.239 0.000 . . . . . A 60 LYS CB . 30290 1 643 . 1 1 60 60 LYS CG C 13 22.427 0.000 . . . . . A 60 LYS CG . 30290 1 644 . 1 1 60 60 LYS CD C 13 26.915 0.000 . . . . . A 60 LYS CD . 30290 1 645 . 1 1 60 60 LYS N N 15 118.834 0.036 . . . . . A 60 LYS N . 30290 1 646 . 1 1 61 61 ILE H H 1 9.089 0.012 . . . . . A 61 ILE H . 30290 1 647 . 1 1 61 61 ILE HA H 1 4.680 0.000 . . . . . A 61 ILE HA . 30290 1 648 . 1 1 61 61 ILE HB H 1 1.139 0.000 . . . . . A 61 ILE HB . 30290 1 649 . 1 1 61 61 ILE HG12 H 1 0.696 0.000 . . . . . A 61 ILE HG12 . 30290 1 650 . 1 1 61 61 ILE HG21 H 1 0.271 0.012 . . . . . A 61 ILE HG21 . 30290 1 651 . 1 1 61 61 ILE HG22 H 1 0.271 0.012 . . . . . A 61 ILE HG22 . 30290 1 652 . 1 1 61 61 ILE HG23 H 1 0.271 0.012 . . . . . A 61 ILE HG23 . 30290 1 653 . 1 1 61 61 ILE HD11 H 1 0.507 0.013 . . . . . A 61 ILE HD11 . 30290 1 654 . 1 1 61 61 ILE HD12 H 1 0.507 0.013 . . . . . A 61 ILE HD12 . 30290 1 655 . 1 1 61 61 ILE HD13 H 1 0.507 0.013 . . . . . A 61 ILE HD13 . 30290 1 656 . 1 1 61 61 ILE C C 13 171.840 0.000 . . . . . A 61 ILE C . 30290 1 657 . 1 1 61 61 ILE CA C 13 57.410 0.000 . . . . . A 61 ILE CA . 30290 1 658 . 1 1 61 61 ILE CB C 13 39.493 0.050 . . . . . A 61 ILE CB . 30290 1 659 . 1 1 61 61 ILE CG1 C 13 26.629 0.000 . . . . . A 61 ILE CG1 . 30290 1 660 . 1 1 61 61 ILE CG2 C 13 14.237 0.086 . . . . . A 61 ILE CG2 . 30290 1 661 . 1 1 61 61 ILE CD1 C 13 12.324 0.042 . . . . . A 61 ILE CD1 . 30290 1 662 . 1 1 61 61 ILE N N 15 121.404 0.046 . . . . . A 61 ILE N . 30290 1 663 . 1 1 62 62 ASP H H 1 8.025 0.012 . . . . . A 62 ASP H . 30290 1 664 . 1 1 62 62 ASP HA H 1 3.619 0.000 . . . . . A 62 ASP HA . 30290 1 665 . 1 1 62 62 ASP HB2 H 1 2.360 0.000 . . . . . A 62 ASP HB2 . 30290 1 666 . 1 1 62 62 ASP HB3 H 1 2.217 0.000 . . . . . A 62 ASP HB3 . 30290 1 667 . 1 1 62 62 ASP C C 13 179.233 0.000 . . . . . A 62 ASP C . 30290 1 668 . 1 1 62 62 ASP CA C 13 49.802 0.000 . . . . . A 62 ASP CA . 30290 1 669 . 1 1 62 62 ASP CB C 13 38.822 0.000 . . . . . A 62 ASP CB . 30290 1 670 . 1 1 62 62 ASP N N 15 127.948 0.033 . . . . . A 62 ASP N . 30290 1 671 . 1 1 63 63 VAL H H 1 8.900 0.003 . . . . . A 63 VAL H . 30290 1 672 . 1 1 63 63 VAL HA H 1 3.929 0.000 . . . . . A 63 VAL HA . 30290 1 673 . 1 1 63 63 VAL HB H 1 2.142 0.000 . . . . . A 63 VAL HB . 30290 1 674 . 1 1 63 63 VAL HG11 H 1 1.168 0.000 . . . . . A 63 VAL HG11 . 30290 1 675 . 1 1 63 63 VAL HG12 H 1 1.168 0.000 . . . . . A 63 VAL HG12 . 30290 1 676 . 1 1 63 63 VAL HG13 H 1 1.168 0.000 . . . . . A 63 VAL HG13 . 30290 1 677 . 1 1 63 63 VAL HG21 H 1 0.862 0.004 . . . . . A 63 VAL HG21 . 30290 1 678 . 1 1 63 63 VAL HG22 H 1 0.862 0.004 . . . . . A 63 VAL HG22 . 30290 1 679 . 1 1 63 63 VAL HG23 H 1 0.862 0.004 . . . . . A 63 VAL HG23 . 30290 1 680 . 1 1 63 63 VAL C C 13 177.124 0.000 . . . . . A 63 VAL C . 30290 1 681 . 1 1 63 63 VAL CA C 13 62.416 0.000 . . . . . A 63 VAL CA . 30290 1 682 . 1 1 63 63 VAL CB C 13 29.392 0.000 . . . . . A 63 VAL CB . 30290 1 683 . 1 1 63 63 VAL CG1 C 13 21.444 0.000 . . . . . A 63 VAL CG1 . 30290 1 684 . 1 1 63 63 VAL CG2 C 13 17.003 0.089 . . . . . A 63 VAL CG2 . 30290 1 685 . 1 1 63 63 VAL N N 15 123.619 0.022 . . . . . A 63 VAL N . 30290 1 686 . 1 1 64 64 ASP H H 1 7.955 0.012 . . . . . A 64 ASP H . 30290 1 687 . 1 1 64 64 ASP HA H 1 4.477 0.000 . . . . . A 64 ASP HA . 30290 1 688 . 1 1 64 64 ASP HB2 H 1 2.769 0.000 . . . . . A 64 ASP HB2 . 30290 1 689 . 1 1 64 64 ASP HB3 H 1 2.632 0.000 . . . . . A 64 ASP HB3 . 30290 1 690 . 1 1 64 64 ASP C C 13 177.674 0.000 . . . . . A 64 ASP C . 30290 1 691 . 1 1 64 64 ASP CA C 13 54.598 0.000 . . . . . A 64 ASP CA . 30290 1 692 . 1 1 64 64 ASP CB C 13 38.464 0.000 . . . . . A 64 ASP CB . 30290 1 693 . 1 1 64 64 ASP N N 15 120.533 0.051 . . . . . A 64 ASP N . 30290 1 694 . 1 1 65 65 ALA H H 1 6.750 0.006 . . . . . A 65 ALA H . 30290 1 695 . 1 1 65 65 ALA HA H 1 4.307 0.018 . . . . . A 65 ALA HA . 30290 1 696 . 1 1 65 65 ALA HB1 H 1 1.309 0.016 . . . . . A 65 ALA HB1 . 30290 1 697 . 1 1 65 65 ALA HB2 H 1 1.309 0.016 . . . . . A 65 ALA HB2 . 30290 1 698 . 1 1 65 65 ALA HB3 H 1 1.309 0.016 . . . . . A 65 ALA HB3 . 30290 1 699 . 1 1 65 65 ALA C C 13 176.801 0.000 . . . . . A 65 ALA C . 30290 1 700 . 1 1 65 65 ALA CA C 13 49.933 0.016 . . . . . A 65 ALA CA . 30290 1 701 . 1 1 65 65 ALA CB C 13 18.568 0.064 . . . . . A 65 ALA CB . 30290 1 702 . 1 1 65 65 ALA N N 15 119.568 0.056 . . . . . A 65 ALA N . 30290 1 703 . 1 1 66 66 ASN H H 1 7.254 0.002 . . . . . A 66 ASN H . 30290 1 704 . 1 1 66 66 ASN HA H 1 5.256 0.020 . . . . . A 66 ASN HA . 30290 1 705 . 1 1 66 66 ASN HB2 H 1 2.761 0.000 . . . . . A 66 ASN HB2 . 30290 1 706 . 1 1 66 66 ASN HB3 H 1 2.602 0.000 . . . . . A 66 ASN HB3 . 30290 1 707 . 1 1 66 66 ASN C C 13 170.357 0.000 . . . . . A 66 ASN C . 30290 1 708 . 1 1 66 66 ASN CA C 13 49.957 0.099 . . . . . A 66 ASN CA . 30290 1 709 . 1 1 66 66 ASN CB C 13 38.229 0.000 . . . . . A 66 ASN CB . 30290 1 710 . 1 1 66 66 ASN N N 15 115.827 0.028 . . . . . A 66 ASN N . 30290 1 711 . 1 1 67 67 PRO HA H 1 4.461 0.000 . . . . . A 67 PRO HA . 30290 1 712 . 1 1 67 67 PRO HB2 H 1 2.323 0.000 . . . . . A 67 PRO HB2 . 30290 1 713 . 1 1 67 67 PRO HB3 H 1 1.900 0.000 . . . . . A 67 PRO HB3 . 30290 1 714 . 1 1 67 67 PRO HG2 H 1 1.989 0.000 . . . . . A 67 PRO HG2 . 30290 1 715 . 1 1 67 67 PRO HD2 H 1 3.406 0.000 . . . . . A 67 PRO HD2 . 30290 1 716 . 1 1 67 67 PRO C C 13 180.066 0.000 . . . . . A 67 PRO C . 30290 1 717 . 1 1 67 67 PRO CA C 13 62.005 0.000 . . . . . A 67 PRO CA . 30290 1 718 . 1 1 67 67 PRO CB C 13 30.394 0.000 . . . . . A 67 PRO CB . 30290 1 719 . 1 1 67 67 PRO CG C 13 24.902 0.000 . . . . . A 67 PRO CG . 30290 1 720 . 1 1 67 67 PRO CD C 13 48.019 0.000 . . . . . A 67 PRO CD . 30290 1 721 . 1 1 68 68 ALA H H 1 9.251 0.011 . . . . . A 68 ALA H . 30290 1 722 . 1 1 68 68 ALA HA H 1 3.941 0.009 . . . . . A 68 ALA HA . 30290 1 723 . 1 1 68 68 ALA HB1 H 1 1.274 0.012 . . . . . A 68 ALA HB1 . 30290 1 724 . 1 1 68 68 ALA HB2 H 1 1.274 0.012 . . . . . A 68 ALA HB2 . 30290 1 725 . 1 1 68 68 ALA HB3 H 1 1.274 0.012 . . . . . A 68 ALA HB3 . 30290 1 726 . 1 1 68 68 ALA C C 13 180.024 0.000 . . . . . A 68 ALA C . 30290 1 727 . 1 1 68 68 ALA CA C 13 54.132 0.000 . . . . . A 68 ALA CA . 30290 1 728 . 1 1 68 68 ALA CB C 13 15.882 0.079 . . . . . A 68 ALA CB . 30290 1 729 . 1 1 68 68 ALA N N 15 125.499 0.062 . . . . . A 68 ALA N . 30290 1 730 . 1 1 69 69 THR H H 1 9.153 0.003 . . . . . A 69 THR H . 30290 1 731 . 1 1 69 69 THR HA H 1 3.711 0.000 . . . . . A 69 THR HA . 30290 1 732 . 1 1 69 69 THR HB H 1 3.737 0.000 . . . . . A 69 THR HB . 30290 1 733 . 1 1 69 69 THR HG21 H 1 0.416 0.015 . . . . . A 69 THR HG21 . 30290 1 734 . 1 1 69 69 THR HG22 H 1 0.416 0.015 . . . . . A 69 THR HG22 . 30290 1 735 . 1 1 69 69 THR HG23 H 1 0.416 0.015 . . . . . A 69 THR HG23 . 30290 1 736 . 1 1 69 69 THR C C 13 176.664 0.000 . . . . . A 69 THR C . 30290 1 737 . 1 1 69 69 THR CA C 13 65.227 0.000 . . . . . A 69 THR CA . 30290 1 738 . 1 1 69 69 THR CB C 13 66.276 0.000 . . . . . A 69 THR CB . 30290 1 739 . 1 1 69 69 THR CG2 C 13 18.651 0.108 . . . . . A 69 THR CG2 . 30290 1 740 . 1 1 69 69 THR N N 15 116.723 0.036 . . . . . A 69 THR N . 30290 1 741 . 1 1 70 70 ALA H H 1 6.962 0.009 . . . . . A 70 ALA H . 30290 1 742 . 1 1 70 70 ALA HA H 1 3.748 0.015 . . . . . A 70 ALA HA . 30290 1 743 . 1 1 70 70 ALA HB1 H 1 1.446 0.016 . . . . . A 70 ALA HB1 . 30290 1 744 . 1 1 70 70 ALA HB2 H 1 1.446 0.016 . . . . . A 70 ALA HB2 . 30290 1 745 . 1 1 70 70 ALA HB3 H 1 1.446 0.016 . . . . . A 70 ALA HB3 . 30290 1 746 . 1 1 70 70 ALA C C 13 178.670 0.000 . . . . . A 70 ALA C . 30290 1 747 . 1 1 70 70 ALA CA C 13 53.300 0.016 . . . . . A 70 ALA CA . 30290 1 748 . 1 1 70 70 ALA CB C 13 15.606 0.054 . . . . . A 70 ALA CB . 30290 1 749 . 1 1 70 70 ALA N N 15 121.046 0.049 . . . . . A 70 ALA N . 30290 1 750 . 1 1 71 71 ARG H H 1 7.640 0.002 . . . . . A 71 ARG H . 30290 1 751 . 1 1 71 71 ARG HA H 1 4.031 0.008 . . . . . A 71 ARG HA . 30290 1 752 . 1 1 71 71 ARG HB2 H 1 1.910 0.000 . . . . . A 71 ARG HB2 . 30290 1 753 . 1 1 71 71 ARG HB3 H 1 1.968 0.000 . . . . . A 71 ARG HB3 . 30290 1 754 . 1 1 71 71 ARG HG2 H 1 1.729 0.000 . . . . . A 71 ARG HG2 . 30290 1 755 . 1 1 71 71 ARG HG3 H 1 1.448 0.000 . . . . . A 71 ARG HG3 . 30290 1 756 . 1 1 71 71 ARG HD2 H 1 3.110 0.000 . . . . . A 71 ARG HD2 . 30290 1 757 . 1 1 71 71 ARG C C 13 180.700 0.000 . . . . . A 71 ARG C . 30290 1 758 . 1 1 71 71 ARG CA C 13 57.100 0.000 . . . . . A 71 ARG CA . 30290 1 759 . 1 1 71 71 ARG CB C 13 27.672 0.000 . . . . . A 71 ARG CB . 30290 1 760 . 1 1 71 71 ARG CG C 13 24.963 0.000 . . . . . A 71 ARG CG . 30290 1 761 . 1 1 71 71 ARG CD C 13 41.508 0.000 . . . . . A 71 ARG CD . 30290 1 762 . 1 1 71 71 ARG N N 15 117.798 0.044 . . . . . A 71 ARG N . 30290 1 763 . 1 1 72 72 ASP H H 1 8.477 0.011 . . . . . A 72 ASP H . 30290 1 764 . 1 1 72 72 ASP HA H 1 4.126 0.000 . . . . . A 72 ASP HA . 30290 1 765 . 1 1 72 72 ASP HB2 H 1 2.539 0.000 . . . . . A 72 ASP HB2 . 30290 1 766 . 1 1 72 72 ASP HB3 H 1 1.995 0.000 . . . . . A 72 ASP HB3 . 30290 1 767 . 1 1 72 72 ASP C C 13 177.438 0.000 . . . . . A 72 ASP C . 30290 1 768 . 1 1 72 72 ASP CA C 13 55.190 0.000 . . . . . A 72 ASP CA . 30290 1 769 . 1 1 72 72 ASP CB C 13 37.830 0.000 . . . . . A 72 ASP CB . 30290 1 770 . 1 1 72 72 ASP N N 15 122.198 0.039 . . . . . A 72 ASP N . 30290 1 771 . 1 1 73 73 PHE H H 1 7.273 0.006 . . . . . A 73 PHE H . 30290 1 772 . 1 1 73 73 PHE HA H 1 4.507 0.000 . . . . . A 73 PHE HA . 30290 1 773 . 1 1 73 73 PHE HB2 H 1 3.216 0.000 . . . . . A 73 PHE HB2 . 30290 1 774 . 1 1 73 73 PHE HB3 H 1 2.242 0.000 . . . . . A 73 PHE HB3 . 30290 1 775 . 1 1 73 73 PHE HD1 H 1 7.147 0.000 . . . . . A 73 PHE HD1 . 30290 1 776 . 1 1 73 73 PHE HD2 H 1 7.147 0.000 . . . . . A 73 PHE HD2 . 30290 1 777 . 1 1 73 73 PHE HE1 H 1 6.851 0.000 . . . . . A 73 PHE HE1 . 30290 1 778 . 1 1 73 73 PHE HE2 H 1 6.851 0.000 . . . . . A 73 PHE HE2 . 30290 1 779 . 1 1 73 73 PHE C C 13 173.411 0.000 . . . . . A 73 PHE C . 30290 1 780 . 1 1 73 73 PHE CA C 13 56.530 0.000 . . . . . A 73 PHE CA . 30290 1 781 . 1 1 73 73 PHE CB C 13 36.007 0.023 . . . . . A 73 PHE CB . 30290 1 782 . 1 1 73 73 PHE N N 15 113.379 0.057 . . . . . A 73 PHE N . 30290 1 783 . 1 1 74 74 GLN H H 1 7.793 0.002 . . . . . A 74 GLN H . 30290 1 784 . 1 1 74 74 GLN HA H 1 3.776 0.008 . . . . . A 74 GLN HA . 30290 1 785 . 1 1 74 74 GLN HB2 H 1 2.131 0.000 . . . . . A 74 GLN HB2 . 30290 1 786 . 1 1 74 74 GLN HB3 H 1 2.019 0.000 . . . . . A 74 GLN HB3 . 30290 1 787 . 1 1 74 74 GLN HG2 H 1 2.254 0.000 . . . . . A 74 GLN HG2 . 30290 1 788 . 1 1 74 74 GLN HE21 H 1 7.423 0.006 . . . . . A 74 GLN HE21 . 30290 1 789 . 1 1 74 74 GLN HE22 H 1 6.583 0.001 . . . . . A 74 GLN HE22 . 30290 1 790 . 1 1 74 74 GLN C C 13 174.983 0.000 . . . . . A 74 GLN C . 30290 1 791 . 1 1 74 74 GLN CA C 13 54.633 0.002 . . . . . A 74 GLN CA . 30290 1 792 . 1 1 74 74 GLN CB C 13 23.843 0.020 . . . . . A 74 GLN CB . 30290 1 793 . 1 1 74 74 GLN CG C 13 32.092 0.049 . . . . . A 74 GLN CG . 30290 1 794 . 1 1 74 74 GLN CD C 13 180.929 0.000 . . . . . A 74 GLN CD . 30290 1 795 . 1 1 74 74 GLN N N 15 117.005 0.012 . . . . . A 74 GLN N . 30290 1 796 . 1 1 74 74 GLN NE2 N 15 112.460 0.072 . . . . . A 74 GLN NE2 . 30290 1 797 . 1 1 75 75 VAL H H 1 8.481 0.006 . . . . . A 75 VAL H . 30290 1 798 . 1 1 75 75 VAL HA H 1 3.697 0.016 . . . . . A 75 VAL HA . 30290 1 799 . 1 1 75 75 VAL HB H 1 1.608 0.000 . . . . . A 75 VAL HB . 30290 1 800 . 1 1 75 75 VAL HG11 H 1 0.539 0.015 . . . . . A 75 VAL HG11 . 30290 1 801 . 1 1 75 75 VAL HG12 H 1 0.539 0.015 . . . . . A 75 VAL HG12 . 30290 1 802 . 1 1 75 75 VAL HG13 H 1 0.539 0.015 . . . . . A 75 VAL HG13 . 30290 1 803 . 1 1 75 75 VAL HG21 H 1 -0.176 0.016 . . . . . A 75 VAL HG21 . 30290 1 804 . 1 1 75 75 VAL HG22 H 1 -0.176 0.016 . . . . . A 75 VAL HG22 . 30290 1 805 . 1 1 75 75 VAL HG23 H 1 -0.176 0.016 . . . . . A 75 VAL HG23 . 30290 1 806 . 1 1 75 75 VAL C C 13 175.667 0.000 . . . . . A 75 VAL C . 30290 1 807 . 1 1 75 75 VAL CA C 13 61.812 0.017 . . . . . A 75 VAL CA . 30290 1 808 . 1 1 75 75 VAL CB C 13 27.973 0.000 . . . . . A 75 VAL CB . 30290 1 809 . 1 1 75 75 VAL CG1 C 13 19.121 0.048 . . . . . A 75 VAL CG1 . 30290 1 810 . 1 1 75 75 VAL CG2 C 13 18.451 0.077 . . . . . A 75 VAL CG2 . 30290 1 811 . 1 1 75 75 VAL N N 15 120.504 0.015 . . . . . A 75 VAL N . 30290 1 812 . 1 1 76 76 VAL H H 1 8.039 0.012 . . . . . A 76 VAL H . 30290 1 813 . 1 1 76 76 VAL HA H 1 4.279 0.000 . . . . . A 76 VAL HA . 30290 1 814 . 1 1 76 76 VAL HB H 1 2.152 0.000 . . . . . A 76 VAL HB . 30290 1 815 . 1 1 76 76 VAL HG11 H 1 0.780 0.000 . . . . . A 76 VAL HG11 . 30290 1 816 . 1 1 76 76 VAL HG12 H 1 0.780 0.000 . . . . . A 76 VAL HG12 . 30290 1 817 . 1 1 76 76 VAL HG13 H 1 0.780 0.000 . . . . . A 76 VAL HG13 . 30290 1 818 . 1 1 76 76 VAL C C 13 175.333 0.000 . . . . . A 76 VAL C . 30290 1 819 . 1 1 76 76 VAL CA C 13 59.825 0.000 . . . . . A 76 VAL CA . 30290 1 820 . 1 1 76 76 VAL CB C 13 31.159 0.000 . . . . . A 76 VAL CB . 30290 1 821 . 1 1 76 76 VAL CG1 C 13 19.022 0.000 . . . . . A 76 VAL CG1 . 30290 1 822 . 1 1 76 76 VAL CG2 C 13 16.713 0.000 . . . . . A 76 VAL CG2 . 30290 1 823 . 1 1 76 76 VAL N N 15 123.252 0.038 . . . . . A 76 VAL N . 30290 1 824 . 1 1 77 77 SER H H 1 7.873 0.009 . . . . . A 77 SER H . 30290 1 825 . 1 1 77 77 SER HA H 1 4.677 0.011 . . . . . A 77 SER HA . 30290 1 826 . 1 1 77 77 SER HB2 H 1 3.648 0.000 . . . . . A 77 SER HB2 . 30290 1 827 . 1 1 77 77 SER C C 13 172.068 0.000 . . . . . A 77 SER C . 30290 1 828 . 1 1 77 77 SER CA C 13 55.101 0.038 . . . . . A 77 SER CA . 30290 1 829 . 1 1 77 77 SER CB C 13 62.816 0.000 . . . . . A 77 SER CB . 30290 1 830 . 1 1 77 77 SER N N 15 117.353 0.087 . . . . . A 77 SER N . 30290 1 831 . 1 1 78 78 ILE H H 1 8.444 0.001 . . . . . A 78 ILE H . 30290 1 832 . 1 1 78 78 ILE HA H 1 4.632 0.000 . . . . . A 78 ILE HA . 30290 1 833 . 1 1 78 78 ILE HB H 1 1.835 0.000 . . . . . A 78 ILE HB . 30290 1 834 . 1 1 78 78 ILE HG12 H 1 1.381 0.000 . . . . . A 78 ILE HG12 . 30290 1 835 . 1 1 78 78 ILE HG13 H 1 0.716 0.000 . . . . . A 78 ILE HG13 . 30290 1 836 . 1 1 78 78 ILE HG21 H 1 0.716 0.000 . . . . . A 78 ILE HG21 . 30290 1 837 . 1 1 78 78 ILE HG22 H 1 0.716 0.000 . . . . . A 78 ILE HG22 . 30290 1 838 . 1 1 78 78 ILE HG23 H 1 0.716 0.000 . . . . . A 78 ILE HG23 . 30290 1 839 . 1 1 78 78 ILE HD11 H 1 0.433 0.009 . . . . . A 78 ILE HD11 . 30290 1 840 . 1 1 78 78 ILE HD12 H 1 0.433 0.009 . . . . . A 78 ILE HD12 . 30290 1 841 . 1 1 78 78 ILE HD13 H 1 0.433 0.009 . . . . . A 78 ILE HD13 . 30290 1 842 . 1 1 78 78 ILE C C 13 173.410 0.000 . . . . . A 78 ILE C . 30290 1 843 . 1 1 78 78 ILE CA C 13 54.450 0.000 . . . . . A 78 ILE CA . 30290 1 844 . 1 1 78 78 ILE CB C 13 37.594 0.049 . . . . . A 78 ILE CB . 30290 1 845 . 1 1 78 78 ILE CG2 C 13 16.448 0.019 . . . . . A 78 ILE CG2 . 30290 1 846 . 1 1 78 78 ILE CD1 C 13 11.630 0.056 . . . . . A 78 ILE CD1 . 30290 1 847 . 1 1 78 78 ILE N N 15 121.729 0.020 . . . . . A 78 ILE N . 30290 1 848 . 1 1 79 79 PRO HA H 1 5.044 0.008 . . . . . A 79 PRO HA . 30290 1 849 . 1 1 79 79 PRO HB2 H 1 1.987 0.000 . . . . . A 79 PRO HB2 . 30290 1 850 . 1 1 79 79 PRO HB3 H 1 2.690 0.000 . . . . . A 79 PRO HB3 . 30290 1 851 . 1 1 79 79 PRO HG2 H 1 1.719 0.000 . . . . . A 79 PRO HG2 . 30290 1 852 . 1 1 79 79 PRO HD2 H 1 3.972 0.000 . . . . . A 79 PRO HD2 . 30290 1 853 . 1 1 79 79 PRO C C 13 177.054 0.000 . . . . . A 79 PRO C . 30290 1 854 . 1 1 79 79 PRO CA C 13 61.461 0.004 . . . . . A 79 PRO CA . 30290 1 855 . 1 1 79 79 PRO CB C 13 32.906 0.000 . . . . . A 79 PRO CB . 30290 1 856 . 1 1 79 79 PRO CG C 13 26.719 0.000 . . . . . A 79 PRO CG . 30290 1 857 . 1 1 79 79 PRO CD C 13 52.236 0.000 . . . . . A 79 PRO CD . 30290 1 858 . 1 1 80 80 THR H H 1 7.960 0.015 . . . . . A 80 THR H . 30290 1 859 . 1 1 80 80 THR HA H 1 4.970 0.015 . . . . . A 80 THR HA . 30290 1 860 . 1 1 80 80 THR HB H 1 3.846 0.008 . . . . . A 80 THR HB . 30290 1 861 . 1 1 80 80 THR HG21 H 1 1.055 0.015 . . . . . A 80 THR HG21 . 30290 1 862 . 1 1 80 80 THR HG22 H 1 1.055 0.015 . . . . . A 80 THR HG22 . 30290 1 863 . 1 1 80 80 THR HG23 H 1 1.055 0.015 . . . . . A 80 THR HG23 . 30290 1 864 . 1 1 80 80 THR C C 13 172.072 0.000 . . . . . A 80 THR C . 30290 1 865 . 1 1 80 80 THR CA C 13 61.787 0.009 . . . . . A 80 THR CA . 30290 1 866 . 1 1 80 80 THR CB C 13 71.243 0.020 . . . . . A 80 THR CB . 30290 1 867 . 1 1 80 80 THR CG2 C 13 19.254 0.073 . . . . . A 80 THR CG2 . 30290 1 868 . 1 1 80 80 THR N N 15 119.035 0.067 . . . . . A 80 THR N . 30290 1 869 . 1 1 81 81 MET H H 1 9.748 0.009 . . . . . A 81 MET H . 30290 1 870 . 1 1 81 81 MET HA H 1 6.152 0.014 . . . . . A 81 MET HA . 30290 1 871 . 1 1 81 81 MET HB2 H 1 1.981 0.000 . . . . . A 81 MET HB2 . 30290 1 872 . 1 1 81 81 MET HB3 H 1 1.792 0.000 . . . . . A 81 MET HB3 . 30290 1 873 . 1 1 81 81 MET HG2 H 1 2.525 0.000 . . . . . A 81 MET HG2 . 30290 1 874 . 1 1 81 81 MET C C 13 174.757 0.000 . . . . . A 81 MET C . 30290 1 875 . 1 1 81 81 MET CA C 13 51.590 0.004 . . . . . A 81 MET CA . 30290 1 876 . 1 1 81 81 MET CB C 13 34.423 0.000 . . . . . A 81 MET CB . 30290 1 877 . 1 1 81 81 MET CG C 13 30.481 0.000 . . . . . A 81 MET CG . 30290 1 878 . 1 1 81 81 MET N N 15 126.085 0.033 . . . . . A 81 MET N . 30290 1 879 . 1 1 82 82 ILE H H 1 9.167 0.008 . . . . . A 82 ILE H . 30290 1 880 . 1 1 82 82 ILE HA H 1 4.917 0.014 . . . . . A 82 ILE HA . 30290 1 881 . 1 1 82 82 ILE HB H 1 1.689 0.000 . . . . . A 82 ILE HB . 30290 1 882 . 1 1 82 82 ILE HG12 H 1 0.791 0.000 . . . . . A 82 ILE HG12 . 30290 1 883 . 1 1 82 82 ILE HG21 H 1 0.130 0.012 . . . . . A 82 ILE HG21 . 30290 1 884 . 1 1 82 82 ILE HG22 H 1 0.130 0.012 . . . . . A 82 ILE HG22 . 30290 1 885 . 1 1 82 82 ILE HG23 H 1 0.130 0.012 . . . . . A 82 ILE HG23 . 30290 1 886 . 1 1 82 82 ILE HD11 H 1 0.657 0.006 . . . . . A 82 ILE HD11 . 30290 1 887 . 1 1 82 82 ILE HD12 H 1 0.657 0.006 . . . . . A 82 ILE HD12 . 30290 1 888 . 1 1 82 82 ILE HD13 H 1 0.657 0.006 . . . . . A 82 ILE HD13 . 30290 1 889 . 1 1 82 82 ILE C C 13 174.735 0.000 . . . . . A 82 ILE C . 30290 1 890 . 1 1 82 82 ILE CA C 13 58.056 0.010 . . . . . A 82 ILE CA . 30290 1 891 . 1 1 82 82 ILE CB C 13 40.015 0.068 . . . . . A 82 ILE CB . 30290 1 892 . 1 1 82 82 ILE CG1 C 13 26.072 0.000 . . . . . A 82 ILE CG1 . 30290 1 893 . 1 1 82 82 ILE CG2 C 13 15.638 0.043 . . . . . A 82 ILE CG2 . 30290 1 894 . 1 1 82 82 ILE CD1 C 13 11.665 0.018 . . . . . A 82 ILE CD1 . 30290 1 895 . 1 1 82 82 ILE N N 15 121.312 0.034 . . . . . A 82 ILE N . 30290 1 896 . 1 1 83 83 LEU H H 1 8.688 0.012 . . . . . A 83 LEU H . 30290 1 897 . 1 1 83 83 LEU HA H 1 5.117 0.013 . . . . . A 83 LEU HA . 30290 1 898 . 1 1 83 83 LEU HB2 H 1 0.937 0.000 . . . . . A 83 LEU HB2 . 30290 1 899 . 1 1 83 83 LEU HB3 H 1 1.802 0.000 . . . . . A 83 LEU HB3 . 30290 1 900 . 1 1 83 83 LEU HG H 1 1.271 0.000 . . . . . A 83 LEU HG . 30290 1 901 . 1 1 83 83 LEU HD11 H 1 0.744 0.000 . . . . . A 83 LEU HD11 . 30290 1 902 . 1 1 83 83 LEU HD12 H 1 0.744 0.000 . . . . . A 83 LEU HD12 . 30290 1 903 . 1 1 83 83 LEU HD13 H 1 0.744 0.000 . . . . . A 83 LEU HD13 . 30290 1 904 . 1 1 83 83 LEU C C 13 174.173 0.000 . . . . . A 83 LEU C . 30290 1 905 . 1 1 83 83 LEU CA C 13 51.207 0.057 . . . . . A 83 LEU CA . 30290 1 906 . 1 1 83 83 LEU CB C 13 42.502 0.000 . . . . . A 83 LEU CB . 30290 1 907 . 1 1 83 83 LEU CG C 13 25.134 0.000 . . . . . A 83 LEU CG . 30290 1 908 . 1 1 83 83 LEU CD1 C 13 24.615 0.000 . . . . . A 83 LEU CD1 . 30290 1 909 . 1 1 83 83 LEU CD2 C 13 21.419 0.000 . . . . . A 83 LEU CD2 . 30290 1 910 . 1 1 83 83 LEU N N 15 129.200 0.041 . . . . . A 83 LEU N . 30290 1 911 . 1 1 84 84 PHE H H 1 9.880 0.011 . . . . . A 84 PHE H . 30290 1 912 . 1 1 84 84 PHE HA H 1 5.066 0.015 . . . . . A 84 PHE HA . 30290 1 913 . 1 1 84 84 PHE HB2 H 1 2.771 0.000 . . . . . A 84 PHE HB2 . 30290 1 914 . 1 1 84 84 PHE HB3 H 1 2.694 0.000 . . . . . A 84 PHE HB3 . 30290 1 915 . 1 1 84 84 PHE HD1 H 1 6.808 0.008 . . . . . A 84 PHE HD1 . 30290 1 916 . 1 1 84 84 PHE HD2 H 1 6.808 0.008 . . . . . A 84 PHE HD2 . 30290 1 917 . 1 1 84 84 PHE HE1 H 1 6.962 0.000 . . . . . A 84 PHE HE1 . 30290 1 918 . 1 1 84 84 PHE HE2 H 1 6.962 0.000 . . . . . A 84 PHE HE2 . 30290 1 919 . 1 1 84 84 PHE C C 13 175.256 0.000 . . . . . A 84 PHE C . 30290 1 920 . 1 1 84 84 PHE CA C 13 55.197 0.001 . . . . . A 84 PHE CA . 30290 1 921 . 1 1 84 84 PHE CB C 13 39.586 0.012 . . . . . A 84 PHE CB . 30290 1 922 . 1 1 84 84 PHE N N 15 128.623 0.046 . . . . . A 84 PHE N . 30290 1 923 . 1 1 85 85 LYS H H 1 8.676 0.002 . . . . . A 85 LYS H . 30290 1 924 . 1 1 85 85 LYS HA H 1 4.550 0.000 . . . . . A 85 LYS HA . 30290 1 925 . 1 1 85 85 LYS HB2 H 1 1.492 0.000 . . . . . A 85 LYS HB2 . 30290 1 926 . 1 1 85 85 LYS HB3 H 1 1.746 0.000 . . . . . A 85 LYS HB3 . 30290 1 927 . 1 1 85 85 LYS HG2 H 1 1.339 0.000 . . . . . A 85 LYS HG2 . 30290 1 928 . 1 1 85 85 LYS HD2 H 1 1.306 0.000 . . . . . A 85 LYS HD2 . 30290 1 929 . 1 1 85 85 LYS HE2 H 1 2.790 0.000 . . . . . A 85 LYS HE2 . 30290 1 930 . 1 1 85 85 LYS C C 13 175.976 0.000 . . . . . A 85 LYS C . 30290 1 931 . 1 1 85 85 LYS CA C 13 54.270 0.000 . . . . . A 85 LYS CA . 30290 1 932 . 1 1 85 85 LYS CB C 13 34.402 0.000 . . . . . A 85 LYS CB . 30290 1 933 . 1 1 85 85 LYS CG C 13 23.526 0.000 . . . . . A 85 LYS CG . 30290 1 934 . 1 1 85 85 LYS CD C 13 27.768 0.000 . . . . . A 85 LYS CD . 30290 1 935 . 1 1 85 85 LYS CE C 13 40.050 0.000 . . . . . A 85 LYS CE . 30290 1 936 . 1 1 85 85 LYS N N 15 118.946 0.018 . . . . . A 85 LYS N . 30290 1 937 . 1 1 86 86 ASP H H 1 9.355 0.012 . . . . . A 86 ASP H . 30290 1 938 . 1 1 86 86 ASP HA H 1 4.407 0.000 . . . . . A 86 ASP HA . 30290 1 939 . 1 1 86 86 ASP HB2 H 1 2.924 0.000 . . . . . A 86 ASP HB2 . 30290 1 940 . 1 1 86 86 ASP HB3 H 1 2.649 0.000 . . . . . A 86 ASP HB3 . 30290 1 941 . 1 1 86 86 ASP C C 13 176.329 0.000 . . . . . A 86 ASP C . 30290 1 942 . 1 1 86 86 ASP CA C 13 53.902 0.000 . . . . . A 86 ASP CA . 30290 1 943 . 1 1 86 86 ASP CB C 13 37.537 0.000 . . . . . A 86 ASP CB . 30290 1 944 . 1 1 86 86 ASP N N 15 126.071 0.033 . . . . . A 86 ASP N . 30290 1 945 . 1 1 87 87 GLY H H 1 9.048 0.011 . . . . . A 87 GLY H . 30290 1 946 . 1 1 87 87 GLY HA2 H 1 4.269 0.011 . . . . . A 87 GLY HA2 . 30290 1 947 . 1 1 87 87 GLY HA3 H 1 3.747 0.012 . . . . . A 87 GLY HA3 . 30290 1 948 . 1 1 87 87 GLY C C 13 173.312 0.000 . . . . . A 87 GLY C . 30290 1 949 . 1 1 87 87 GLY CA C 13 44.185 0.030 . . . . . A 87 GLY CA . 30290 1 950 . 1 1 87 87 GLY N N 15 103.743 0.047 . . . . . A 87 GLY N . 30290 1 951 . 1 1 88 88 ALA H H 1 7.897 0.002 . . . . . A 88 ALA H . 30290 1 952 . 1 1 88 88 ALA HA H 1 5.183 0.019 . . . . . A 88 ALA HA . 30290 1 953 . 1 1 88 88 ALA HB1 H 1 1.394 0.000 . . . . . A 88 ALA HB1 . 30290 1 954 . 1 1 88 88 ALA HB2 H 1 1.394 0.000 . . . . . A 88 ALA HB2 . 30290 1 955 . 1 1 88 88 ALA HB3 H 1 1.394 0.000 . . . . . A 88 ALA HB3 . 30290 1 956 . 1 1 88 88 ALA C C 13 174.027 0.000 . . . . . A 88 ALA C . 30290 1 957 . 1 1 88 88 ALA CA C 13 47.208 0.077 . . . . . A 88 ALA CA . 30290 1 958 . 1 1 88 88 ALA CB C 13 18.665 0.000 . . . . . A 88 ALA CB . 30290 1 959 . 1 1 88 88 ALA N N 15 122.397 0.052 . . . . . A 88 ALA N . 30290 1 960 . 1 1 89 89 PRO HA H 1 3.865 0.013 . . . . . A 89 PRO HA . 30290 1 961 . 1 1 89 89 PRO HB2 H 1 1.616 0.000 . . . . . A 89 PRO HB2 . 30290 1 962 . 1 1 89 89 PRO HB3 H 1 1.279 0.000 . . . . . A 89 PRO HB3 . 30290 1 963 . 1 1 89 89 PRO HG2 H 1 2.340 0.000 . . . . . A 89 PRO HG2 . 30290 1 964 . 1 1 89 89 PRO HG3 H 1 1.988 0.000 . . . . . A 89 PRO HG3 . 30290 1 965 . 1 1 89 89 PRO C C 13 177.551 0.000 . . . . . A 89 PRO C . 30290 1 966 . 1 1 89 89 PRO CA C 13 59.943 0.048 . . . . . A 89 PRO CA . 30290 1 967 . 1 1 89 89 PRO CB C 13 29.215 0.000 . . . . . A 89 PRO CB . 30290 1 968 . 1 1 89 89 PRO CG C 13 25.471 0.000 . . . . . A 89 PRO CG . 30290 1 969 . 1 1 89 89 PRO CD C 13 48.318 0.000 . . . . . A 89 PRO CD . 30290 1 970 . 1 1 90 90 VAL H H 1 9.172 0.013 . . . . . A 90 VAL H . 30290 1 971 . 1 1 90 90 VAL HA H 1 4.368 0.000 . . . . . A 90 VAL HA . 30290 1 972 . 1 1 90 90 VAL HB H 1 2.146 0.000 . . . . . A 90 VAL HB . 30290 1 973 . 1 1 90 90 VAL HG11 H 1 0.934 0.023 . . . . . A 90 VAL HG11 . 30290 1 974 . 1 1 90 90 VAL HG12 H 1 0.934 0.023 . . . . . A 90 VAL HG12 . 30290 1 975 . 1 1 90 90 VAL HG13 H 1 0.934 0.023 . . . . . A 90 VAL HG13 . 30290 1 976 . 1 1 90 90 VAL HG21 H 1 0.784 0.009 . . . . . A 90 VAL HG21 . 30290 1 977 . 1 1 90 90 VAL HG22 H 1 0.784 0.009 . . . . . A 90 VAL HG22 . 30290 1 978 . 1 1 90 90 VAL HG23 H 1 0.784 0.009 . . . . . A 90 VAL HG23 . 30290 1 979 . 1 1 90 90 VAL C C 13 175.956 0.000 . . . . . A 90 VAL C . 30290 1 980 . 1 1 90 90 VAL CA C 13 60.020 0.009 . . . . . A 90 VAL CA . 30290 1 981 . 1 1 90 90 VAL CB C 13 31.519 0.014 . . . . . A 90 VAL CB . 30290 1 982 . 1 1 90 90 VAL CG1 C 13 20.003 0.058 . . . . . A 90 VAL CG1 . 30290 1 983 . 1 1 90 90 VAL CG2 C 13 18.179 0.117 . . . . . A 90 VAL CG2 . 30290 1 984 . 1 1 90 90 VAL N N 15 119.438 0.031 . . . . . A 90 VAL N . 30290 1 985 . 1 1 91 91 LYS H H 1 7.126 0.012 . . . . . A 91 LYS H . 30290 1 986 . 1 1 91 91 LYS HA H 1 4.511 0.000 . . . . . A 91 LYS HA . 30290 1 987 . 1 1 91 91 LYS HB2 H 1 1.749 0.000 . . . . . A 91 LYS HB2 . 30290 1 988 . 1 1 91 91 LYS HB3 H 1 1.521 0.000 . . . . . A 91 LYS HB3 . 30290 1 989 . 1 1 91 91 LYS HG2 H 1 1.730 0.000 . . . . . A 91 LYS HG2 . 30290 1 990 . 1 1 91 91 LYS HD2 H 1 1.295 0.000 . . . . . A 91 LYS HD2 . 30290 1 991 . 1 1 91 91 LYS HE2 H 1 3.004 0.000 . . . . . A 91 LYS HE2 . 30290 1 992 . 1 1 91 91 LYS C C 13 173.134 0.000 . . . . . A 91 LYS C . 30290 1 993 . 1 1 91 91 LYS CA C 13 53.834 0.057 . . . . . A 91 LYS CA . 30290 1 994 . 1 1 91 91 LYS CB C 13 33.924 0.014 . . . . . A 91 LYS CB . 30290 1 995 . 1 1 91 91 LYS CG C 13 22.840 0.000 . . . . . A 91 LYS CG . 30290 1 996 . 1 1 91 91 LYS CD C 13 26.775 0.000 . . . . . A 91 LYS CD . 30290 1 997 . 1 1 91 91 LYS CE C 13 39.861 0.000 . . . . . A 91 LYS CE . 30290 1 998 . 1 1 91 91 LYS N N 15 118.449 0.066 . . . . . A 91 LYS N . 30290 1 999 . 1 1 92 92 ARG H H 1 8.763 0.013 . . . . . A 92 ARG H . 30290 1 1000 . 1 1 92 92 ARG HA H 1 4.947 0.013 . . . . . A 92 ARG HA . 30290 1 1001 . 1 1 92 92 ARG HB2 H 1 1.631 0.000 . . . . . A 92 ARG HB2 . 30290 1 1002 . 1 1 92 92 ARG HB3 H 1 1.601 0.000 . . . . . A 92 ARG HB3 . 30290 1 1003 . 1 1 92 92 ARG HG2 H 1 1.373 0.000 . . . . . A 92 ARG HG2 . 30290 1 1004 . 1 1 92 92 ARG HG3 H 1 1.300 0.000 . . . . . A 92 ARG HG3 . 30290 1 1005 . 1 1 92 92 ARG HD2 H 1 3.149 0.000 . . . . . A 92 ARG HD2 . 30290 1 1006 . 1 1 92 92 ARG C C 13 174.345 0.000 . . . . . A 92 ARG C . 30290 1 1007 . 1 1 92 92 ARG CA C 13 53.163 0.025 . . . . . A 92 ARG CA . 30290 1 1008 . 1 1 92 92 ARG CB C 13 30.980 0.001 . . . . . A 92 ARG CB . 30290 1 1009 . 1 1 92 92 ARG CG C 13 26.045 0.000 . . . . . A 92 ARG CG . 30290 1 1010 . 1 1 92 92 ARG CD C 13 41.318 0.000 . . . . . A 92 ARG CD . 30290 1 1011 . 1 1 92 92 ARG N N 15 125.660 0.050 . . . . . A 92 ARG N . 30290 1 1012 . 1 1 93 93 ILE H H 1 9.510 0.015 . . . . . A 93 ILE H . 30290 1 1013 . 1 1 93 93 ILE HA H 1 4.299 0.000 . . . . . A 93 ILE HA . 30290 1 1014 . 1 1 93 93 ILE HB H 1 1.762 0.000 . . . . . A 93 ILE HB . 30290 1 1015 . 1 1 93 93 ILE HG12 H 1 1.296 0.000 . . . . . A 93 ILE HG12 . 30290 1 1016 . 1 1 93 93 ILE HG13 H 1 0.983 0.000 . . . . . A 93 ILE HG13 . 30290 1 1017 . 1 1 93 93 ILE HG21 H 1 0.788 0.000 . . . . . A 93 ILE HG21 . 30290 1 1018 . 1 1 93 93 ILE HG22 H 1 0.788 0.000 . . . . . A 93 ILE HG22 . 30290 1 1019 . 1 1 93 93 ILE HG23 H 1 0.788 0.000 . . . . . A 93 ILE HG23 . 30290 1 1020 . 1 1 93 93 ILE HD11 H 1 0.644 0.010 . . . . . A 93 ILE HD11 . 30290 1 1021 . 1 1 93 93 ILE HD12 H 1 0.644 0.010 . . . . . A 93 ILE HD12 . 30290 1 1022 . 1 1 93 93 ILE HD13 H 1 0.644 0.010 . . . . . A 93 ILE HD13 . 30290 1 1023 . 1 1 93 93 ILE C C 13 174.337 0.000 . . . . . A 93 ILE C . 30290 1 1024 . 1 1 93 93 ILE CA C 13 58.791 0.008 . . . . . A 93 ILE CA . 30290 1 1025 . 1 1 93 93 ILE CB C 13 38.861 0.037 . . . . . A 93 ILE CB . 30290 1 1026 . 1 1 93 93 ILE CG1 C 13 25.351 0.000 . . . . . A 93 ILE CG1 . 30290 1 1027 . 1 1 93 93 ILE CG2 C 13 16.148 0.000 . . . . . A 93 ILE CG2 . 30290 1 1028 . 1 1 93 93 ILE CD1 C 13 12.439 0.018 . . . . . A 93 ILE CD1 . 30290 1 1029 . 1 1 93 93 ILE N N 15 127.564 0.040 . . . . . A 93 ILE N . 30290 1 1030 . 1 1 94 94 VAL H H 1 8.929 0.016 . . . . . A 94 VAL H . 30290 1 1031 . 1 1 94 94 VAL HA H 1 4.472 0.000 . . . . . A 94 VAL HA . 30290 1 1032 . 1 1 94 94 VAL HB H 1 1.963 0.000 . . . . . A 94 VAL HB . 30290 1 1033 . 1 1 94 94 VAL HG11 H 1 0.908 0.000 . . . . . A 94 VAL HG11 . 30290 1 1034 . 1 1 94 94 VAL HG12 H 1 0.908 0.000 . . . . . A 94 VAL HG12 . 30290 1 1035 . 1 1 94 94 VAL HG13 H 1 0.908 0.000 . . . . . A 94 VAL HG13 . 30290 1 1036 . 1 1 94 94 VAL C C 13 175.999 0.000 . . . . . A 94 VAL C . 30290 1 1037 . 1 1 94 94 VAL CA C 13 60.268 0.008 . . . . . A 94 VAL CA . 30290 1 1038 . 1 1 94 94 VAL CB C 13 31.433 0.016 . . . . . A 94 VAL CB . 30290 1 1039 . 1 1 94 94 VAL CG1 C 13 19.226 0.000 . . . . . A 94 VAL CG1 . 30290 1 1040 . 1 1 94 94 VAL CG2 C 13 18.673 0.000 . . . . . A 94 VAL CG2 . 30290 1 1041 . 1 1 94 94 VAL N N 15 128.170 0.067 . . . . . A 94 VAL N . 30290 1 1042 . 1 1 95 95 GLY H H 1 7.965 0.009 . . . . . A 95 GLY H . 30290 1 1043 . 1 1 95 95 GLY HA2 H 1 4.364 0.012 . . . . . A 95 GLY HA2 . 30290 1 1044 . 1 1 95 95 GLY HA3 H 1 3.543 0.012 . . . . . A 95 GLY HA3 . 30290 1 1045 . 1 1 95 95 GLY C C 13 171.892 0.000 . . . . . A 95 GLY C . 30290 1 1046 . 1 1 95 95 GLY CA C 13 41.586 0.090 . . . . . A 95 GLY CA . 30290 1 1047 . 1 1 95 95 GLY N N 15 114.064 0.052 . . . . . A 95 GLY N . 30290 1 1048 . 1 1 96 96 ALA H H 1 8.363 0.013 . . . . . A 96 ALA H . 30290 1 1049 . 1 1 96 96 ALA HA H 1 3.955 0.000 . . . . . A 96 ALA HA . 30290 1 1050 . 1 1 96 96 ALA HB1 H 1 1.240 0.011 . . . . . A 96 ALA HB1 . 30290 1 1051 . 1 1 96 96 ALA HB2 H 1 1.240 0.011 . . . . . A 96 ALA HB2 . 30290 1 1052 . 1 1 96 96 ALA HB3 H 1 1.240 0.011 . . . . . A 96 ALA HB3 . 30290 1 1053 . 1 1 96 96 ALA C C 13 176.791 0.000 . . . . . A 96 ALA C . 30290 1 1054 . 1 1 96 96 ALA CA C 13 50.540 0.034 . . . . . A 96 ALA CA . 30290 1 1055 . 1 1 96 96 ALA CB C 13 17.024 0.049 . . . . . A 96 ALA CB . 30290 1 1056 . 1 1 96 96 ALA N N 15 119.997 0.047 . . . . . A 96 ALA N . 30290 1 1057 . 1 1 97 97 LYS H H 1 6.898 0.004 . . . . . A 97 LYS H . 30290 1 1058 . 1 1 97 97 LYS HA H 1 4.506 0.000 . . . . . A 97 LYS HA . 30290 1 1059 . 1 1 97 97 LYS HB2 H 1 1.792 0.000 . . . . . A 97 LYS HB2 . 30290 1 1060 . 1 1 97 97 LYS HB3 H 1 1.433 0.000 . . . . . A 97 LYS HB3 . 30290 1 1061 . 1 1 97 97 LYS HG2 H 1 1.199 0.000 . . . . . A 97 LYS HG2 . 30290 1 1062 . 1 1 97 97 LYS HD2 H 1 1.310 0.000 . . . . . A 97 LYS HD2 . 30290 1 1063 . 1 1 97 97 LYS C C 13 175.600 0.000 . . . . . A 97 LYS C . 30290 1 1064 . 1 1 97 97 LYS CA C 13 52.185 0.018 . . . . . A 97 LYS CA . 30290 1 1065 . 1 1 97 97 LYS CB C 13 34.548 0.016 . . . . . A 97 LYS CB . 30290 1 1066 . 1 1 97 97 LYS CG C 13 22.357 0.000 . . . . . A 97 LYS CG . 30290 1 1067 . 1 1 97 97 LYS CD C 13 26.427 0.000 . . . . . A 97 LYS CD . 30290 1 1068 . 1 1 97 97 LYS CE C 13 40.202 0.000 . . . . . A 97 LYS CE . 30290 1 1069 . 1 1 97 97 LYS N N 15 120.007 0.019 . . . . . A 97 LYS N . 30290 1 1070 . 1 1 98 98 GLY H H 1 8.205 0.013 . . . . . A 98 GLY H . 30290 1 1071 . 1 1 98 98 GLY HA2 H 1 4.117 0.019 . . . . . A 98 GLY HA2 . 30290 1 1072 . 1 1 98 98 GLY HA3 H 1 3.800 0.015 . . . . . A 98 GLY HA3 . 30290 1 1073 . 1 1 98 98 GLY C C 13 173.109 0.000 . . . . . A 98 GLY C . 30290 1 1074 . 1 1 98 98 GLY CA C 13 41.933 0.075 . . . . . A 98 GLY CA . 30290 1 1075 . 1 1 98 98 GLY N N 15 105.968 0.070 . . . . . A 98 GLY N . 30290 1 1076 . 1 1 99 99 LYS H H 1 8.634 0.011 . . . . . A 99 LYS H . 30290 1 1077 . 1 1 99 99 LYS HA H 1 3.482 0.013 . . . . . A 99 LYS HA . 30290 1 1078 . 1 1 99 99 LYS HB2 H 1 1.764 0.000 . . . . . A 99 LYS HB2 . 30290 1 1079 . 1 1 99 99 LYS HB3 H 1 1.848 0.000 . . . . . A 99 LYS HB3 . 30290 1 1080 . 1 1 99 99 LYS HG2 H 1 1.289 0.000 . . . . . A 99 LYS HG2 . 30290 1 1081 . 1 1 99 99 LYS HG3 H 1 1.105 0.000 . . . . . A 99 LYS HG3 . 30290 1 1082 . 1 1 99 99 LYS HD2 H 1 1.619 0.000 . . . . . A 99 LYS HD2 . 30290 1 1083 . 1 1 99 99 LYS C C 13 177.441 0.000 . . . . . A 99 LYS C . 30290 1 1084 . 1 1 99 99 LYS CA C 13 59.257 0.061 . . . . . A 99 LYS CA . 30290 1 1085 . 1 1 99 99 LYS CB C 13 31.045 0.000 . . . . . A 99 LYS CB . 30290 1 1086 . 1 1 99 99 LYS CG C 13 23.073 0.000 . . . . . A 99 LYS CG . 30290 1 1087 . 1 1 99 99 LYS CD C 13 27.790 0.000 . . . . . A 99 LYS CD . 30290 1 1088 . 1 1 99 99 LYS CE C 13 39.876 0.000 . . . . . A 99 LYS CE . 30290 1 1089 . 1 1 99 99 LYS N N 15 119.173 0.044 . . . . . A 99 LYS N . 30290 1 1090 . 1 1 100 100 ALA H H 1 8.433 0.012 . . . . . A 100 ALA H . 30290 1 1091 . 1 1 100 100 ALA HA H 1 3.947 0.007 . . . . . A 100 ALA HA . 30290 1 1092 . 1 1 100 100 ALA HB1 H 1 1.348 0.017 . . . . . A 100 ALA HB1 . 30290 1 1093 . 1 1 100 100 ALA HB2 H 1 1.348 0.017 . . . . . A 100 ALA HB2 . 30290 1 1094 . 1 1 100 100 ALA HB3 H 1 1.348 0.017 . . . . . A 100 ALA HB3 . 30290 1 1095 . 1 1 100 100 ALA C C 13 180.856 0.000 . . . . . A 100 ALA C . 30290 1 1096 . 1 1 100 100 ALA CA C 13 53.373 0.012 . . . . . A 100 ALA CA . 30290 1 1097 . 1 1 100 100 ALA CB C 13 15.519 0.056 . . . . . A 100 ALA CB . 30290 1 1098 . 1 1 100 100 ALA N N 15 118.822 0.043 . . . . . A 100 ALA N . 30290 1 1099 . 1 1 101 101 ALA H H 1 7.975 0.014 . . . . . A 101 ALA H . 30290 1 1100 . 1 1 101 101 ALA HA H 1 3.997 0.014 . . . . . A 101 ALA HA . 30290 1 1101 . 1 1 101 101 ALA HB1 H 1 1.398 0.016 . . . . . A 101 ALA HB1 . 30290 1 1102 . 1 1 101 101 ALA HB2 H 1 1.398 0.016 . . . . . A 101 ALA HB2 . 30290 1 1103 . 1 1 101 101 ALA HB3 H 1 1.398 0.016 . . . . . A 101 ALA HB3 . 30290 1 1104 . 1 1 101 101 ALA C C 13 180.261 0.000 . . . . . A 101 ALA C . 30290 1 1105 . 1 1 101 101 ALA CA C 13 52.786 0.057 . . . . . A 101 ALA CA . 30290 1 1106 . 1 1 101 101 ALA CB C 13 16.663 0.076 . . . . . A 101 ALA CB . 30290 1 1107 . 1 1 101 101 ALA N N 15 120.858 0.070 . . . . . A 101 ALA N . 30290 1 1108 . 1 1 102 102 LEU H H 1 8.412 0.005 . . . . . A 102 LEU H . 30290 1 1109 . 1 1 102 102 LEU HA H 1 3.830 0.000 . . . . . A 102 LEU HA . 30290 1 1110 . 1 1 102 102 LEU HB2 H 1 1.546 0.000 . . . . . A 102 LEU HB2 . 30290 1 1111 . 1 1 102 102 LEU HB3 H 1 1.402 0.000 . . . . . A 102 LEU HB3 . 30290 1 1112 . 1 1 102 102 LEU HD11 H 1 0.699 0.011 . . . . . A 102 LEU HD11 . 30290 1 1113 . 1 1 102 102 LEU HD12 H 1 0.699 0.011 . . . . . A 102 LEU HD12 . 30290 1 1114 . 1 1 102 102 LEU HD13 H 1 0.699 0.011 . . . . . A 102 LEU HD13 . 30290 1 1115 . 1 1 102 102 LEU C C 13 178.851 0.000 . . . . . A 102 LEU C . 30290 1 1116 . 1 1 102 102 LEU CA C 13 56.370 0.018 . . . . . A 102 LEU CA . 30290 1 1117 . 1 1 102 102 LEU CB C 13 39.968 0.001 . . . . . A 102 LEU CB . 30290 1 1118 . 1 1 102 102 LEU CG C 13 25.442 0.000 . . . . . A 102 LEU CG . 30290 1 1119 . 1 1 102 102 LEU CD1 C 13 22.772 0.087 . . . . . A 102 LEU CD1 . 30290 1 1120 . 1 1 102 102 LEU N N 15 120.182 0.057 . . . . . A 102 LEU N . 30290 1 1121 . 1 1 103 103 LEU H H 1 8.514 0.010 . . . . . A 103 LEU H . 30290 1 1122 . 1 1 103 103 LEU HA H 1 3.820 0.000 . . . . . A 103 LEU HA . 30290 1 1123 . 1 1 103 103 LEU HB2 H 1 1.371 0.000 . . . . . A 103 LEU HB2 . 30290 1 1124 . 1 1 103 103 LEU HB3 H 1 1.841 0.000 . . . . . A 103 LEU HB3 . 30290 1 1125 . 1 1 103 103 LEU HG H 1 1.675 0.000 . . . . . A 103 LEU HG . 30290 1 1126 . 1 1 103 103 LEU HD11 H 1 0.800 0.000 . . . . . A 103 LEU HD11 . 30290 1 1127 . 1 1 103 103 LEU HD12 H 1 0.800 0.000 . . . . . A 103 LEU HD12 . 30290 1 1128 . 1 1 103 103 LEU HD13 H 1 0.800 0.000 . . . . . A 103 LEU HD13 . 30290 1 1129 . 1 1 103 103 LEU HD21 H 1 0.712 0.021 . . . . . A 103 LEU HD21 . 30290 1 1130 . 1 1 103 103 LEU HD22 H 1 0.712 0.021 . . . . . A 103 LEU HD22 . 30290 1 1131 . 1 1 103 103 LEU HD23 H 1 0.712 0.021 . . . . . A 103 LEU HD23 . 30290 1 1132 . 1 1 103 103 LEU C C 13 180.336 0.000 . . . . . A 103 LEU C . 30290 1 1133 . 1 1 103 103 LEU CA C 13 56.268 0.002 . . . . . A 103 LEU CA . 30290 1 1134 . 1 1 103 103 LEU CB C 13 38.987 0.019 . . . . . A 103 LEU CB . 30290 1 1135 . 1 1 103 103 LEU CG C 13 24.669 0.000 . . . . . A 103 LEU CG . 30290 1 1136 . 1 1 103 103 LEU CD1 C 13 23.955 0.000 . . . . . A 103 LEU CD1 . 30290 1 1137 . 1 1 103 103 LEU CD2 C 13 20.564 0.063 . . . . . A 103 LEU CD2 . 30290 1 1138 . 1 1 103 103 LEU N N 15 117.321 0.038 . . . . . A 103 LEU N . 30290 1 1139 . 1 1 104 104 ARG H H 1 7.850 0.012 . . . . . A 104 ARG H . 30290 1 1140 . 1 1 104 104 ARG HA H 1 4.042 0.000 . . . . . A 104 ARG HA . 30290 1 1141 . 1 1 104 104 ARG HB3 H 1 1.925 0.000 . . . . . A 104 ARG HB3 . 30290 1 1142 . 1 1 104 104 ARG HG2 H 1 1.692 0.000 . . . . . A 104 ARG HG2 . 30290 1 1143 . 1 1 104 104 ARG HG3 H 1 1.566 0.000 . . . . . A 104 ARG HG3 . 30290 1 1144 . 1 1 104 104 ARG HD2 H 1 3.179 0.000 . . . . . A 104 ARG HD2 . 30290 1 1145 . 1 1 104 104 ARG C C 13 179.295 0.000 . . . . . A 104 ARG C . 30290 1 1146 . 1 1 104 104 ARG CA C 13 57.581 0.053 . . . . . A 104 ARG CA . 30290 1 1147 . 1 1 104 104 ARG CB C 13 27.699 0.026 . . . . . A 104 ARG CB . 30290 1 1148 . 1 1 104 104 ARG CG C 13 25.262 0.000 . . . . . A 104 ARG CG . 30290 1 1149 . 1 1 104 104 ARG CD C 13 41.454 0.000 . . . . . A 104 ARG CD . 30290 1 1150 . 1 1 104 104 ARG N N 15 120.104 0.042 . . . . . A 104 ARG N . 30290 1 1151 . 1 1 105 105 GLU H H 1 7.779 0.013 . . . . . A 105 GLU H . 30290 1 1152 . 1 1 105 105 GLU HA H 1 4.094 0.000 . . . . . A 105 GLU HA . 30290 1 1153 . 1 1 105 105 GLU HB2 H 1 2.074 0.000 . . . . . A 105 GLU HB2 . 30290 1 1154 . 1 1 105 105 GLU HB3 H 1 1.990 0.000 . . . . . A 105 GLU HB3 . 30290 1 1155 . 1 1 105 105 GLU HG2 H 1 2.342 0.000 . . . . . A 105 GLU HG2 . 30290 1 1156 . 1 1 105 105 GLU HG3 H 1 2.221 0.000 . . . . . A 105 GLU HG3 . 30290 1 1157 . 1 1 105 105 GLU C C 13 178.532 0.000 . . . . . A 105 GLU C . 30290 1 1158 . 1 1 105 105 GLU CA C 13 56.901 0.031 . . . . . A 105 GLU CA . 30290 1 1159 . 1 1 105 105 GLU CB C 13 27.578 0.056 . . . . . A 105 GLU CB . 30290 1 1160 . 1 1 105 105 GLU CG C 13 33.956 0.000 . . . . . A 105 GLU CG . 30290 1 1161 . 1 1 105 105 GLU N N 15 118.871 0.059 . . . . . A 105 GLU N . 30290 1 1162 . 1 1 106 106 LEU H H 1 7.846 0.012 . . . . . A 106 LEU H . 30290 1 1163 . 1 1 106 106 LEU HA H 1 4.008 0.000 . . . . . A 106 LEU HA . 30290 1 1164 . 1 1 106 106 LEU HB2 H 1 1.730 0.000 . . . . . A 106 LEU HB2 . 30290 1 1165 . 1 1 106 106 LEU HB3 H 1 1.387 0.000 . . . . . A 106 LEU HB3 . 30290 1 1166 . 1 1 106 106 LEU HG H 1 1.853 0.000 . . . . . A 106 LEU HG . 30290 1 1167 . 1 1 106 106 LEU HD11 H 1 0.676 0.000 . . . . . A 106 LEU HD11 . 30290 1 1168 . 1 1 106 106 LEU HD12 H 1 0.676 0.000 . . . . . A 106 LEU HD12 . 30290 1 1169 . 1 1 106 106 LEU HD13 H 1 0.676 0.000 . . . . . A 106 LEU HD13 . 30290 1 1170 . 1 1 106 106 LEU C C 13 178.450 0.000 . . . . . A 106 LEU C . 30290 1 1171 . 1 1 106 106 LEU CA C 13 54.337 0.009 . . . . . A 106 LEU CA . 30290 1 1172 . 1 1 106 106 LEU CB C 13 40.330 0.017 . . . . . A 106 LEU CB . 30290 1 1173 . 1 1 106 106 LEU CG C 13 24.123 0.000 . . . . . A 106 LEU CG . 30290 1 1174 . 1 1 106 106 LEU CD1 C 13 23.431 0.000 . . . . . A 106 LEU CD1 . 30290 1 1175 . 1 1 106 106 LEU CD2 C 13 21.435 0.000 . . . . . A 106 LEU CD2 . 30290 1 1176 . 1 1 106 106 LEU N N 15 115.404 0.033 . . . . . A 106 LEU N . 30290 1 1177 . 1 1 107 107 SER H H 1 7.700 0.011 . . . . . A 107 SER H . 30290 1 1178 . 1 1 107 107 SER HA H 1 4.008 0.011 . . . . . A 107 SER HA . 30290 1 1179 . 1 1 107 107 SER HB2 H 1 3.975 0.000 . . . . . A 107 SER HB2 . 30290 1 1180 . 1 1 107 107 SER C C 13 175.555 0.000 . . . . . A 107 SER C . 30290 1 1181 . 1 1 107 107 SER CA C 13 60.169 0.045 . . . . . A 107 SER CA . 30290 1 1182 . 1 1 107 107 SER CB C 13 61.319 0.020 . . . . . A 107 SER CB . 30290 1 1183 . 1 1 107 107 SER N N 15 113.201 0.041 . . . . . A 107 SER N . 30290 1 1184 . 1 1 108 108 ASP H H 1 7.955 0.011 . . . . . A 108 ASP H . 30290 1 1185 . 1 1 108 108 ASP HA H 1 4.541 0.000 . . . . . A 108 ASP HA . 30290 1 1186 . 1 1 108 108 ASP HB2 H 1 2.706 0.000 . . . . . A 108 ASP HB2 . 30290 1 1187 . 1 1 108 108 ASP HB3 H 1 2.647 0.000 . . . . . A 108 ASP HB3 . 30290 1 1188 . 1 1 108 108 ASP C C 13 176.208 0.000 . . . . . A 108 ASP C . 30290 1 1189 . 1 1 108 108 ASP CA C 13 53.163 0.018 . . . . . A 108 ASP CA . 30290 1 1190 . 1 1 108 108 ASP CB C 13 38.492 0.007 . . . . . A 108 ASP CB . 30290 1 1191 . 1 1 108 108 ASP N N 15 118.765 0.057 . . . . . A 108 ASP N . 30290 1 1192 . 1 1 109 109 ALA H H 1 7.647 0.002 . . . . . A 109 ALA H . 30290 1 1193 . 1 1 109 109 ALA HA H 1 4.464 0.000 . . . . . A 109 ALA HA . 30290 1 1194 . 1 1 109 109 ALA HB1 H 1 1.242 0.000 . . . . . A 109 ALA HB1 . 30290 1 1195 . 1 1 109 109 ALA HB2 H 1 1.242 0.000 . . . . . A 109 ALA HB2 . 30290 1 1196 . 1 1 109 109 ALA HB3 H 1 1.242 0.000 . . . . . A 109 ALA HB3 . 30290 1 1197 . 1 1 109 109 ALA C C 13 176.049 0.000 . . . . . A 109 ALA C . 30290 1 1198 . 1 1 109 109 ALA CA C 13 50.010 0.016 . . . . . A 109 ALA CA . 30290 1 1199 . 1 1 109 109 ALA CB C 13 19.160 0.064 . . . . . A 109 ALA CB . 30290 1 1200 . 1 1 109 109 ALA N N 15 120.807 0.048 . . . . . A 109 ALA N . 30290 1 1201 . 1 1 110 110 LEU H H 1 7.177 0.004 . . . . . A 110 LEU H . 30290 1 1202 . 1 1 110 110 LEU HA H 1 4.146 0.005 . . . . . A 110 LEU HA . 30290 1 1203 . 1 1 110 110 LEU HB2 H 1 1.551 0.000 . . . . . A 110 LEU HB2 . 30290 1 1204 . 1 1 110 110 LEU HG H 1 0.765 0.000 . . . . . A 110 LEU HG . 30290 1 1205 . 1 1 110 110 LEU HD11 H 1 0.785 0.006 . . . . . A 110 LEU HD11 . 30290 1 1206 . 1 1 110 110 LEU HD12 H 1 0.785 0.006 . . . . . A 110 LEU HD12 . 30290 1 1207 . 1 1 110 110 LEU HD13 H 1 0.785 0.006 . . . . . A 110 LEU HD13 . 30290 1 1208 . 1 1 110 110 LEU C C 13 181.858 0.000 . . . . . A 110 LEU C . 30290 1 1209 . 1 1 110 110 LEU CA C 13 54.392 0.015 . . . . . A 110 LEU CA . 30290 1 1210 . 1 1 110 110 LEU CB C 13 41.361 0.036 . . . . . A 110 LEU CB . 30290 1 1211 . 1 1 110 110 LEU CG C 13 24.528 0.000 . . . . . A 110 LEU CG . 30290 1 1212 . 1 1 110 110 LEU CD1 C 13 21.952 0.009 . . . . . A 110 LEU CD1 . 30290 1 1213 . 1 1 110 110 LEU CD2 C 13 23.896 0.000 . . . . . A 110 LEU CD2 . 30290 1 1214 . 1 1 110 110 LEU N N 15 123.687 0.035 . . . . . A 110 LEU N . 30290 1 stop_ save_