data_50793 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50793 _Entry.Title ; ular mechanisms underlying the role of the centriolar CEP164-TTBK2 complex in ciliopathies ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-02-25 _Entry.Accession_date 2021-02-25 _Entry.Last_release_date 2021-02-25 _Entry.Original_release_date 2021-02-25 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'NMR solution structure of apo CEP164 N-terminal domain, residues 1-109' _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 Ivan 'Rosa e Silva' . . . . 50793 2 Lucia Bino . . . . 50793 3 Christopher Johnson . M. . . 50793 4 Trevor Rutherford . J. . 0000-0001-7294-1668 50793 5 David Neuhaus . . . . 50793 6 Antonina Andreeva . . . . 50793 7 Lukas Cajanek . . . . 50793 8 Mark 'van Breugel' . . . . 50793 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50793 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 441 50793 '15N chemical shifts' 103 50793 '1H chemical shifts' 755 50793 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-01-14 2021-02-25 update BMRB 'update entry citation' 50793 1 . . 2021-09-07 2021-02-25 original author 'original release' 50793 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50793 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34499853 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Molecular mechanisms underlying the role of the centriolar CEP164-TTBK2 complex in ciliopathies ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 30 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1878-4186 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 114 _Citation.Page_last 128 _Citation.Year 2022 _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 Ivan 'Rosa e Silva' . . . . 50793 1 2 Lucia Bino . . . . 50793 1 3 Christopher Johnson . M. . . 50793 1 4 Trevor Rutherford . J. . . 50793 1 5 David Neuhaus . . . . 50793 1 6 Antonina Andreeva . . . . 50793 1 7 Lukas Cajanek . . . . 50793 1 8 Mark 'van Breugel' . . . . 50793 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50793 _Assembly.ID 1 _Assembly.Name 'CEP164 N-terminal domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 12528 _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 CEP164 1 $entity_1 . . yes native no no . . . 50793 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50793 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAGRPLRIGDQLVLEEDYDE TYIPSEQEILEFAREIGIDP IKEPELMWLAREGIVAPLPG EWKPCQDITGDIYYFNFANG QSMWDHPCDEHYRSLVIQER AKLSTSGAI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality yes _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 50793 1 2 . ALA . 50793 1 3 . GLY . 50793 1 4 . ARG . 50793 1 5 . PRO . 50793 1 6 . LEU . 50793 1 7 . ARG . 50793 1 8 . ILE . 50793 1 9 . GLY . 50793 1 10 . ASP . 50793 1 11 . GLN . 50793 1 12 . LEU . 50793 1 13 . VAL . 50793 1 14 . LEU . 50793 1 15 . GLU . 50793 1 16 . GLU . 50793 1 17 . ASP . 50793 1 18 . TYR . 50793 1 19 . ASP . 50793 1 20 . GLU . 50793 1 21 . THR . 50793 1 22 . TYR . 50793 1 23 . ILE . 50793 1 24 . PRO . 50793 1 25 . SER . 50793 1 26 . GLU . 50793 1 27 . GLN . 50793 1 28 . GLU . 50793 1 29 . ILE . 50793 1 30 . LEU . 50793 1 31 . GLU . 50793 1 32 . PHE . 50793 1 33 . ALA . 50793 1 34 . ARG . 50793 1 35 . GLU . 50793 1 36 . ILE . 50793 1 37 . GLY . 50793 1 38 . ILE . 50793 1 39 . ASP . 50793 1 40 . PRO . 50793 1 41 . ILE . 50793 1 42 . LYS . 50793 1 43 . GLU . 50793 1 44 . PRO . 50793 1 45 . GLU . 50793 1 46 . LEU . 50793 1 47 . MET . 50793 1 48 . TRP . 50793 1 49 . LEU . 50793 1 50 . ALA . 50793 1 51 . ARG . 50793 1 52 . GLU . 50793 1 53 . GLY . 50793 1 54 . ILE . 50793 1 55 . VAL . 50793 1 56 . ALA . 50793 1 57 . PRO . 50793 1 58 . LEU . 50793 1 59 . PRO . 50793 1 60 . GLY . 50793 1 61 . GLU . 50793 1 62 . TRP . 50793 1 63 . LYS . 50793 1 64 . PRO . 50793 1 65 . CYS . 50793 1 66 . GLN . 50793 1 67 . ASP . 50793 1 68 . ILE . 50793 1 69 . THR . 50793 1 70 . GLY . 50793 1 71 . ASP . 50793 1 72 . ILE . 50793 1 73 . TYR . 50793 1 74 . TYR . 50793 1 75 . PHE . 50793 1 76 . ASN . 50793 1 77 . PHE . 50793 1 78 . ALA . 50793 1 79 . ASN . 50793 1 80 . GLY . 50793 1 81 . GLN . 50793 1 82 . SER . 50793 1 83 . MET . 50793 1 84 . TRP . 50793 1 85 . ASP . 50793 1 86 . HIS . 50793 1 87 . PRO . 50793 1 88 . CYS . 50793 1 89 . ASP . 50793 1 90 . GLU . 50793 1 91 . HIS . 50793 1 92 . TYR . 50793 1 93 . ARG . 50793 1 94 . SER . 50793 1 95 . LEU . 50793 1 96 . VAL . 50793 1 97 . ILE . 50793 1 98 . GLN . 50793 1 99 . GLU . 50793 1 100 . ARG . 50793 1 101 . ALA . 50793 1 102 . LYS . 50793 1 103 . LEU . 50793 1 104 . SER . 50793 1 105 . THR . 50793 1 106 . SER . 50793 1 107 . GLY . 50793 1 108 . ALA . 50793 1 109 . ILE . 50793 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 50793 1 . ALA 2 2 50793 1 . GLY 3 3 50793 1 . ARG 4 4 50793 1 . PRO 5 5 50793 1 . LEU 6 6 50793 1 . ARG 7 7 50793 1 . ILE 8 8 50793 1 . GLY 9 9 50793 1 . ASP 10 10 50793 1 . GLN 11 11 50793 1 . LEU 12 12 50793 1 . VAL 13 13 50793 1 . LEU 14 14 50793 1 . GLU 15 15 50793 1 . GLU 16 16 50793 1 . ASP 17 17 50793 1 . TYR 18 18 50793 1 . ASP 19 19 50793 1 . GLU 20 20 50793 1 . THR 21 21 50793 1 . TYR 22 22 50793 1 . ILE 23 23 50793 1 . PRO 24 24 50793 1 . SER 25 25 50793 1 . GLU 26 26 50793 1 . GLN 27 27 50793 1 . GLU 28 28 50793 1 . ILE 29 29 50793 1 . LEU 30 30 50793 1 . GLU 31 31 50793 1 . PHE 32 32 50793 1 . ALA 33 33 50793 1 . ARG 34 34 50793 1 . GLU 35 35 50793 1 . ILE 36 36 50793 1 . GLY 37 37 50793 1 . ILE 38 38 50793 1 . ASP 39 39 50793 1 . PRO 40 40 50793 1 . ILE 41 41 50793 1 . LYS 42 42 50793 1 . GLU 43 43 50793 1 . PRO 44 44 50793 1 . GLU 45 45 50793 1 . LEU 46 46 50793 1 . MET 47 47 50793 1 . TRP 48 48 50793 1 . LEU 49 49 50793 1 . ALA 50 50 50793 1 . ARG 51 51 50793 1 . GLU 52 52 50793 1 . GLY 53 53 50793 1 . ILE 54 54 50793 1 . VAL 55 55 50793 1 . ALA 56 56 50793 1 . PRO 57 57 50793 1 . LEU 58 58 50793 1 . PRO 59 59 50793 1 . GLY 60 60 50793 1 . GLU 61 61 50793 1 . TRP 62 62 50793 1 . LYS 63 63 50793 1 . PRO 64 64 50793 1 . CYS 65 65 50793 1 . GLN 66 66 50793 1 . ASP 67 67 50793 1 . ILE 68 68 50793 1 . THR 69 69 50793 1 . GLY 70 70 50793 1 . ASP 71 71 50793 1 . ILE 72 72 50793 1 . TYR 73 73 50793 1 . TYR 74 74 50793 1 . PHE 75 75 50793 1 . ASN 76 76 50793 1 . PHE 77 77 50793 1 . ALA 78 78 50793 1 . ASN 79 79 50793 1 . GLY 80 80 50793 1 . GLN 81 81 50793 1 . SER 82 82 50793 1 . MET 83 83 50793 1 . TRP 84 84 50793 1 . ASP 85 85 50793 1 . HIS 86 86 50793 1 . PRO 87 87 50793 1 . CYS 88 88 50793 1 . ASP 89 89 50793 1 . GLU 90 90 50793 1 . HIS 91 91 50793 1 . TYR 92 92 50793 1 . ARG 93 93 50793 1 . SER 94 94 50793 1 . LEU 95 95 50793 1 . VAL 96 96 50793 1 . ILE 97 97 50793 1 . GLN 98 98 50793 1 . GLU 99 99 50793 1 . ARG 100 100 50793 1 . ALA 101 101 50793 1 . LYS 102 102 50793 1 . LEU 103 103 50793 1 . SER 104 104 50793 1 . THR 105 105 50793 1 . SER 106 106 50793 1 . GLY 107 107 50793 1 . ALA 108 108 50793 1 . ILE 109 109 50793 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50793 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50793 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50793 _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' . . . Escherichia coli Rosetta . . plasmid . . pGEX6P1 . . . 50793 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50793 _Sample.ID 1 _Sample.Name 'backbone assignment' _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 7.4' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 'CEP164 N-terminal domain' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 120 . . uM . . . . 50793 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 50793 1 3 'sodium chloride' 'natural abundance' . . . . . . 125 . . mM . . . . 50793 1 4 DTT 'natural abundance' . . . . . . 4 . . mM . . . . 50793 1 5 'complete protease inhibitor cocktail, EDTA free' 'natural abundance' . . . . . . 0.4 . . tablet/100mL . . . . 50793 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 50793 _Sample.ID 2 _Sample.Name structure _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 7.4' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 'CEP164 N-terminal domain' '[U-100% 15N]' . . 1 $entity_1 . . 500 . . uM . . . . 50793 2 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 50793 2 3 'sodium chloride' 'natural abundance' . . . . . . 125 . . mM . . . . 50793 2 4 DTT 'natural abundance' . . . . . . 4 . . mM . . . . 50793 2 5 'complete protease inhibitor cocktail, EDTA free' 'natural abundance' . . . . . . 0.4 . . tablet/100mL . . . . 50793 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 50793 _Sample_condition_list.ID 1 _Sample_condition_list.Name assignment _Sample_condition_list.Details 'sample degassed with repeated cycles of vacuum and argon in headspace' 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' 185 . mM 50793 1 pH 7.4 . pH 50793 1 pressure 1 . atm 50793 1 temperature 293 . K 50793 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 50793 _Sample_condition_list.ID 2 _Sample_condition_list.Name structure _Sample_condition_list.Details 'sample degassed with repeated cycles of vacuum and argon in headspace' 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' 185 . mM 50793 2 pH 7.4 . pH 50793 2 pressure 1 . atm 50793 2 temperature 293 . K 50793 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50793 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50793 1 processing . 50793 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50793 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version 3.12 _Software.DOI . _Software.Details 'NMRFAM-Sparky 1.3' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50793 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50793 _Software.ID 3 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version 2.28 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure solution' . 50793 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 50793 _Software.ID 4 _Software.Type . _Software.Name AMBER11 _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure solution' . 50793 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 50793 _Software.ID 5 _Software.Type . _Software.Name TALOS+ _Software.Version '3.80F1 Rev 2012.080.14.41' _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure solution' . 50793 5 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 50793 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50793 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker Avance II+ 700' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 50793 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name 'Bruker Avance III 800' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50793 _Experiment_list.ID 1 _Experiment_list.Details '5 "2D 1H-1H NOESY": "120 ms NOE mix.' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 50793 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 50793 1 3 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50793 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50793 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 50793 1 6 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50793 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 50793 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 50793 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50793 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50793 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 50793 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name CEP164_all_chemical_shifts _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.07 _Assigned_chem_shift_list.Chem_shift_15N_err 0.06 _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 'digital resolution' _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 TROSY' . . . 50793 1 2 '2D 1H-13C HSQC aliphatic' . . . 50793 1 6 '2D (HB)CB(CGCD)HD' . . . 50793 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 50793 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET H H 1 8.546 0.01 . 1 . . . . . 1 M H . 50793 1 2 . 1 . 1 1 1 MET HA H 1 4.517 0.01 . 1 . . . . . 1 M HA . 50793 1 3 . 1 . 1 1 1 MET HB2 H 1 2.091 0.01 . 2 . . . . . 1 M HB2 . 50793 1 4 . 1 . 1 1 1 MET HB3 H 1 2.013 0.01 . 2 . . . . . 1 M HB3 . 50793 1 5 . 1 . 1 1 1 MET HG2 H 1 2.601 0.01 . 2 . . . . . 1 M HG2 . 50793 1 6 . 1 . 1 1 1 MET HG3 H 1 2.516 0.01 . 2 . . . . . 1 M HG3 . 50793 1 7 . 1 . 1 1 1 MET HE1 H 1 2.065 0.01 . 1 . . . . . 1 M HE1 . 50793 1 8 . 1 . 1 1 1 MET HE2 H 1 2.065 0.01 . 1 . . . . . 1 M HE2 . 50793 1 9 . 1 . 1 1 1 MET HE3 H 1 2.065 0.01 . 1 . . . . . 1 M HE3 . 50793 1 10 . 1 . 1 1 1 MET C C 13 176.095 0.05 . 1 . . . . . 1 M C . 50793 1 11 . 1 . 1 1 1 MET CA C 13 55.626 0.07 . 1 . . . . . 1 M CA . 50793 1 12 . 1 . 1 1 1 MET CB C 13 32.347 0.07 . 1 . . . . . 1 M CB . 50793 1 13 . 1 . 1 1 1 MET CG C 13 32.212 0.07 . 1 . . . . . 1 M CG . 50793 1 14 . 1 . 1 1 1 MET CE C 13 17.207 0.07 . 1 . . . . . 1 M CE . 50793 1 15 . 1 . 1 1 1 MET N N 15 122.077 0.06 . 1 . . . . . 1 M N . 50793 1 16 . 1 . 1 2 2 ALA H H 1 8.328 0.01 . 1 . . . . . 2 A H . 50793 1 17 . 1 . 1 2 2 ALA HA H 1 4.316 0.01 . 1 . . . . . 2 A HA . 50793 1 18 . 1 . 1 2 2 ALA HB1 H 1 1.395 0.01 . 1 . . . . . 2 A HB1 . 50793 1 19 . 1 . 1 2 2 ALA HB2 H 1 1.395 0.01 . 1 . . . . . 2 A HB2 . 50793 1 20 . 1 . 1 2 2 ALA HB3 H 1 1.395 0.01 . 1 . . . . . 2 A HB3 . 50793 1 21 . 1 . 1 2 2 ALA C C 13 178.005 0.05 . 1 . . . . . 2 A C . 50793 1 22 . 1 . 1 2 2 ALA CA C 13 52.934 0.07 . 1 . . . . . 2 A CA . 50793 1 23 . 1 . 1 2 2 ALA CB C 13 19.263 0.07 . 1 . . . . . 2 A CB . 50793 1 24 . 1 . 1 2 2 ALA N N 15 124.611 0.06 . 1 . . . . . 2 A N . 50793 1 25 . 1 . 1 3 3 GLY H H 1 8.379 0.01 . 1 . . . . . 3 G H . 50793 1 26 . 1 . 1 3 3 GLY HA2 H 1 3.948 0.01 . 1 . . . . . 3 G HA2 . 50793 1 27 . 1 . 1 3 3 GLY HA3 H 1 3.948 0.01 . 1 . . . . . 3 G HA3 . 50793 1 28 . 1 . 1 3 3 GLY C C 13 173.634 0.05 . 1 . . . . . 3 G C . 50793 1 29 . 1 . 1 3 3 GLY CA C 13 45.306 0.07 . 1 . . . . . 3 G CA . 50793 1 30 . 1 . 1 3 3 GLY N N 15 107.641 0.06 . 1 . . . . . 3 G N . 50793 1 31 . 1 . 1 4 4 ARG H H 1 8.045 0.01 . 1 . . . . . 4 R H . 50793 1 32 . 1 . 1 4 4 ARG HA H 1 4.651 0.01 . 1 . . . . . 4 R HA . 50793 1 33 . 1 . 1 4 4 ARG HB2 H 1 1.845 0.01 . 2 . . . . . 4 R HB2 . 50793 1 34 . 1 . 1 4 4 ARG HB3 H 1 1.732 0.01 . 2 . . . . . 4 R HB3 . 50793 1 35 . 1 . 1 4 4 ARG HG2 H 1 1.626 0.01 . 1 . . . . . 4 R HG2 . 50793 1 36 . 1 . 1 4 4 ARG HG3 H 1 1.626 0.01 . 1 . . . . . 4 R HG3 . 50793 1 37 . 1 . 1 4 4 ARG HD2 H 1 3.146 0.01 . 1 . . . . . 4 R HD2 . 50793 1 38 . 1 . 1 4 4 ARG HD3 H 1 3.146 0.01 . 1 . . . . . 4 R HD3 . 50793 1 39 . 1 . 1 4 4 ARG C C 13 174.003 0.05 . 1 . . . . . 4 R C . 50793 1 40 . 1 . 1 4 4 ARG CA C 13 53.970 0.07 . 1 . . . . . 4 R CA . 50793 1 41 . 1 . 1 4 4 ARG CB C 13 30.337 0.07 . 1 . . . . . 4 R CB . 50793 1 42 . 1 . 1 4 4 ARG CG C 13 26.953 0.07 . 1 . . . . . 4 R CG . 50793 1 43 . 1 . 1 4 4 ARG CD C 13 43.408 0.07 . 1 . . . . . 4 R CD . 50793 1 44 . 1 . 1 4 4 ARG N N 15 120.904 0.06 . 1 . . . . . 4 R N . 50793 1 45 . 1 . 1 5 5 PRO HA H 1 4.506 0.01 . 1 . . . . . 5 P HA . 50793 1 46 . 1 . 1 5 5 PRO HB2 H 1 2.157 0.01 . 2 . . . . . 5 P HB2 . 50793 1 47 . 1 . 1 5 5 PRO HB3 H 1 1.832 0.01 . 2 . . . . . 5 P HB3 . 50793 1 48 . 1 . 1 5 5 PRO HG3 H 1 1.916 0.01 . 2 . . . . . 5 P HG3 . 50793 1 49 . 1 . 1 5 5 PRO HD2 H 1 3.753 0.01 . 2 . . . . . 5 P HD2 . 50793 1 50 . 1 . 1 5 5 PRO HD3 H 1 3.605 0.01 . 2 . . . . . 5 P HD3 . 50793 1 51 . 1 . 1 5 5 PRO C C 13 176.335 0.05 . 1 . . . . . 5 P C . 50793 1 52 . 1 . 1 5 5 PRO CA C 13 62.970 0.07 . 1 . . . . . 5 P CA . 50793 1 53 . 1 . 1 5 5 PRO CB C 13 32.234 0.07 . 1 . . . . . 5 P CB . 50793 1 54 . 1 . 1 5 5 PRO CG C 13 27.465 0.07 . 1 . . . . . 5 P CG . 50793 1 55 . 1 . 1 5 5 PRO CD C 13 50.574 0.07 . 1 . . . . . 5 P CD . 50793 1 56 . 1 . 1 6 6 LEU H H 1 8.534 0.01 . 1 . . . . . 6 L H . 50793 1 57 . 1 . 1 6 6 LEU HA H 1 4.435 0.01 . 1 . . . . . 6 L HA . 50793 1 58 . 1 . 1 6 6 LEU HB2 H 1 1.601 0.01 . 2 . . . . . 6 L HB2 . 50793 1 59 . 1 . 1 6 6 LEU HB3 H 1 1.514 0.01 . 2 . . . . . 6 L HB3 . 50793 1 60 . 1 . 1 6 6 LEU HD11 H 1 0.896 0.01 . 2 . . . . . 6 L HD11 . 50793 1 61 . 1 . 1 6 6 LEU HD12 H 1 0.896 0.01 . 2 . . . . . 6 L HD12 . 50793 1 62 . 1 . 1 6 6 LEU HD13 H 1 0.896 0.01 . 2 . . . . . 6 L HD13 . 50793 1 63 . 1 . 1 6 6 LEU HD21 H 1 0.821 0.01 . 2 . . . . . 6 L HD21 . 50793 1 64 . 1 . 1 6 6 LEU HD22 H 1 0.821 0.01 . 2 . . . . . 6 L HD22 . 50793 1 65 . 1 . 1 6 6 LEU HD23 H 1 0.821 0.01 . 2 . . . . . 6 L HD23 . 50793 1 66 . 1 . 1 6 6 LEU C C 13 176.746 0.05 . 1 . . . . . 6 L C . 50793 1 67 . 1 . 1 6 6 LEU CA C 13 54.857 0.07 . 1 . . . . . 6 L CA . 50793 1 68 . 1 . 1 6 6 LEU CB C 13 43.408 0.07 . 1 . . . . . 6 L CB . 50793 1 69 . 1 . 1 6 6 LEU CD1 C 13 24.931 0.07 . 2 . . . . . 6 L CD1 . 50793 1 70 . 1 . 1 6 6 LEU CD2 C 13 24.094 0.07 . 2 . . . . . 6 L CD2 . 50793 1 71 . 1 . 1 6 6 LEU N N 15 122.928 0.06 . 1 . . . . . 6 L N . 50793 1 72 . 1 . 1 7 7 ARG H H 1 8.558 0.01 . 1 . . . . . 7 R H . 50793 1 73 . 1 . 1 7 7 ARG HA H 1 4.591 0.01 . 1 . . . . . 7 R HA . 50793 1 74 . 1 . 1 7 7 ARG HB2 H 1 1.815 0.01 . 2 . . . . . 7 R HB2 . 50793 1 75 . 1 . 1 7 7 ARG HB3 H 1 1.725 0.01 . 2 . . . . . 7 R HB3 . 50793 1 76 . 1 . 1 7 7 ARG HG2 H 1 1.539 0.01 . 1 . . . . . 7 R HG2 . 50793 1 77 . 1 . 1 7 7 ARG HG3 H 1 1.539 0.01 . 1 . . . . . 7 R HG3 . 50793 1 78 . 1 . 1 7 7 ARG HD2 H 1 3.126 0.01 . 1 . . . . . 7 R HD2 . 50793 1 79 . 1 . 1 7 7 ARG HD3 H 1 3.126 0.01 . 1 . . . . . 7 R HD3 . 50793 1 80 . 1 . 1 7 7 ARG C C 13 175.984 0.05 . 1 . . . . . 7 R C . 50793 1 81 . 1 . 1 7 7 ARG CA C 13 55.454 0.07 . 1 . . . . . 7 R CA . 50793 1 82 . 1 . 1 7 7 ARG CB C 13 31.039 0.07 . 1 . . . . . 7 R CB . 50793 1 83 . 1 . 1 7 7 ARG CG C 13 27.365 0.07 . 1 . . . . . 7 R CG . 50793 1 84 . 1 . 1 7 7 ARG CD C 13 43.413 0.07 . 1 . . . . . 7 R CD . 50793 1 85 . 1 . 1 7 7 ARG N N 15 122.581 0.06 . 1 . . . . . 7 R N . 50793 1 86 . 1 . 1 8 8 ILE H H 1 8.444 0.01 . 1 . . . . . 8 I H . 50793 1 87 . 1 . 1 8 8 ILE HA H 1 4.141 0.01 . 1 . . . . . 8 I HA . 50793 1 88 . 1 . 1 8 8 ILE HB H 1 1.810 0.01 . 1 . . . . . 8 I HB . 50793 1 89 . 1 . 1 8 8 ILE HG12 H 1 1.458 0.01 . 2 . . . . . 8 I HG12 . 50793 1 90 . 1 . 1 8 8 ILE HG13 H 1 1.136 0.01 . 2 . . . . . 8 I HG13 . 50793 1 91 . 1 . 1 8 8 ILE HG21 H 1 0.877 0.01 . 1 . . . . . 8 I HG21 . 50793 1 92 . 1 . 1 8 8 ILE HG22 H 1 0.877 0.01 . 1 . . . . . 8 I HG22 . 50793 1 93 . 1 . 1 8 8 ILE HG23 H 1 0.877 0.01 . 1 . . . . . 8 I HG23 . 50793 1 94 . 1 . 1 8 8 ILE HD11 H 1 0.810 0.01 . 1 . . . . . 8 I HD11 . 50793 1 95 . 1 . 1 8 8 ILE HD12 H 1 0.810 0.01 . 1 . . . . . 8 I HD12 . 50793 1 96 . 1 . 1 8 8 ILE HD13 H 1 0.810 0.01 . 1 . . . . . 8 I HD13 . 50793 1 97 . 1 . 1 8 8 ILE C C 13 176.787 0.05 . 1 . . . . . 8 I C . 50793 1 98 . 1 . 1 8 8 ILE CA C 13 61.458 0.07 . 1 . . . . . 8 I CA . 50793 1 99 . 1 . 1 8 8 ILE CB C 13 38.589 0.07 . 1 . . . . . 8 I CB . 50793 1 100 . 1 . 1 8 8 ILE CG1 C 13 27.365 0.07 . 1 . . . . . 8 I CG1 . 50793 1 101 . 1 . 1 8 8 ILE CG2 C 13 17.490 0.07 . 1 . . . . . 8 I CG2 . 50793 1 102 . 1 . 1 8 8 ILE CD1 C 13 12.915 0.07 . 1 . . . . . 8 I CD1 . 50793 1 103 . 1 . 1 8 8 ILE N N 15 124.164 0.06 . 1 . . . . . 8 I N . 50793 1 104 . 1 . 1 9 9 GLY H H 1 8.677 0.01 . 1 . . . . . 9 G H . 50793 1 105 . 1 . 1 9 9 GLY HA2 H 1 3.881 0.01 . 2 . . . . . 9 G HA2 . 50793 1 106 . 1 . 1 9 9 GLY HA3 H 1 4.014 0.01 . 2 . . . . . 9 G HA3 . 50793 1 107 . 1 . 1 9 9 GLY C C 13 174.396 0.05 . 1 . . . . . 9 G C . 50793 1 108 . 1 . 1 9 9 GLY CA C 13 45.860 0.07 . 1 . . . . . 9 G CA . 50793 1 109 . 1 . 1 9 9 GLY N N 15 114.267 0.06 . 1 . . . . . 9 G N . 50793 1 110 . 1 . 1 10 10 ASP H H 1 8.374 0.01 . 1 . . . . . 10 D H . 50793 1 111 . 1 . 1 10 10 ASP HA H 1 4.630 0.01 . 1 . . . . . 10 D HA . 50793 1 112 . 1 . 1 10 10 ASP HB2 H 1 2.709 0.01 . 1 . . . . . 10 D HB2 . 50793 1 113 . 1 . 1 10 10 ASP HB3 H 1 2.709 0.01 . 1 . . . . . 10 D HB3 . 50793 1 114 . 1 . 1 10 10 ASP C C 13 176.142 0.05 . 1 . . . . . 10 D C . 50793 1 115 . 1 . 1 10 10 ASP CA C 13 54.751 0.07 . 1 . . . . . 10 D CA . 50793 1 116 . 1 . 1 10 10 ASP CB C 13 41.186 0.07 . 1 . . . . . 10 D CB . 50793 1 117 . 1 . 1 10 10 ASP N N 15 121.870 0.06 . 1 . . . . . 10 D N . 50793 1 118 . 1 . 1 11 11 GLN H H 1 8.216 0.01 . 1 . . . . . 11 Q H . 50793 1 119 . 1 . 1 11 11 GLN HA H 1 4.327 0.01 . 1 . . . . . 11 Q HA . 50793 1 120 . 1 . 1 11 11 GLN HB2 H 1 2.037 0.01 . 2 . . . . . 11 Q HB2 . 50793 1 121 . 1 . 1 11 11 GLN HB3 H 1 2.018 0.01 . 2 . . . . . 11 Q HB3 . 50793 1 122 . 1 . 1 11 11 GLN HG2 H 1 2.202 0.01 . 1 . . . . . 11 Q HG2 . 50793 1 123 . 1 . 1 11 11 GLN HG3 H 1 2.202 0.01 . 1 . . . . . 11 Q HG3 . 50793 1 124 . 1 . 1 11 11 GLN C C 13 175.263 0.05 . 1 . . . . . 11 Q C . 50793 1 125 . 1 . 1 11 11 GLN CA C 13 55.863 0.07 . 1 . . . . . 11 Q CA . 50793 1 126 . 1 . 1 11 11 GLN CB C 13 30.012 0.07 . 1 . . . . . 11 Q CB . 50793 1 127 . 1 . 1 11 11 GLN CG C 13 33.957 0.07 . 1 . . . . . 11 Q CG . 50793 1 128 . 1 . 1 11 11 GLN N N 15 119.038 0.06 . 1 . . . . . 11 Q N . 50793 1 129 . 1 . 1 12 12 LEU H H 1 8.375 0.01 . 1 . . . . . 12 L H . 50793 1 130 . 1 . 1 12 12 LEU HA H 1 4.423 0.01 . 1 . . . . . 12 L HA . 50793 1 131 . 1 . 1 12 12 LEU HB2 H 1 1.703 0.01 . 2 . . . . . 12 L HB2 . 50793 1 132 . 1 . 1 12 12 LEU HB3 H 1 1.571 0.01 . 2 . . . . . 12 L HB3 . 50793 1 133 . 1 . 1 12 12 LEU HD21 H 1 0.840 0.01 . 2 . . . . . 12 L HD21 . 50793 1 134 . 1 . 1 12 12 LEU HD22 H 1 0.840 0.01 . 2 . . . . . 12 L HD22 . 50793 1 135 . 1 . 1 12 12 LEU HD23 H 1 0.840 0.01 . 2 . . . . . 12 L HD23 . 50793 1 136 . 1 . 1 12 12 LEU CA C 13 55.156 0.07 . 1 . . . . . 12 L CA . 50793 1 137 . 1 . 1 12 12 LEU CB C 13 42.609 0.07 . 1 . . . . . 12 L CB . 50793 1 138 . 1 . 1 12 12 LEU CD2 C 13 23.957 0.07 . 2 . . . . . 12 L CD2 . 50793 1 139 . 1 . 1 12 12 LEU N N 15 122.910 0.06 . 1 . . . . . 12 L N . 50793 1 140 . 1 . 1 13 13 VAL H H 1 8.203 0.01 . 1 . . . . . 13 V H . 50793 1 141 . 1 . 1 13 13 VAL HA H 1 4.261 0.01 . 1 . . . . . 13 V HA . 50793 1 142 . 1 . 1 13 13 VAL HB H 1 2.054 0.01 . 1 . . . . . 13 V HB . 50793 1 143 . 1 . 1 13 13 VAL HG11 H 1 0.961 0.01 . 2 . . . . . 13 V HG11 . 50793 1 144 . 1 . 1 13 13 VAL HG12 H 1 0.961 0.01 . 2 . . . . . 13 V HG12 . 50793 1 145 . 1 . 1 13 13 VAL HG13 H 1 0.961 0.01 . 2 . . . . . 13 V HG13 . 50793 1 146 . 1 . 1 13 13 VAL HG21 H 1 0.964 0.01 . 2 . . . . . 13 V HG21 . 50793 1 147 . 1 . 1 13 13 VAL HG22 H 1 0.964 0.01 . 2 . . . . . 13 V HG22 . 50793 1 148 . 1 . 1 13 13 VAL HG23 H 1 0.964 0.01 . 2 . . . . . 13 V HG23 . 50793 1 149 . 1 . 1 13 13 VAL C C 13 175.902 0.05 . 1 . . . . . 13 V C . 50793 1 150 . 1 . 1 13 13 VAL CA C 13 62.212 0.07 . 1 . . . . . 13 V CA . 50793 1 151 . 1 . 1 13 13 VAL CB C 13 33.158 0.07 . 1 . . . . . 13 V CB . 50793 1 152 . 1 . 1 13 13 VAL CG1 C 13 21.560 0.07 . 2 . . . . . 13 V CG1 . 50793 1 153 . 1 . 1 13 13 VAL CG2 C 13 21.410 0.07 . 2 . . . . . 13 V CG2 . 50793 1 154 . 1 . 1 14 14 LEU H H 1 8.547 0.01 . 1 . . . . . 14 L H . 50793 1 155 . 1 . 1 14 14 LEU HA H 1 4.478 0.01 . 1 . . . . . 14 L HA . 50793 1 156 . 1 . 1 14 14 LEU HB2 H 1 1.579 0.01 . 1 . . . . . 14 L HB2 . 50793 1 157 . 1 . 1 14 14 LEU HB3 H 1 1.579 0.01 . 1 . . . . . 14 L HB3 . 50793 1 158 . 1 . 1 14 14 LEU HG H 1 1.593 0.01 . 1 . . . . . 14 L HG . 50793 1 159 . 1 . 1 14 14 LEU HD11 H 1 0.848 0.01 . 2 . . . . . 14 L HD11 . 50793 1 160 . 1 . 1 14 14 LEU HD12 H 1 0.848 0.01 . 2 . . . . . 14 L HD12 . 50793 1 161 . 1 . 1 14 14 LEU HD13 H 1 0.848 0.01 . 2 . . . . . 14 L HD13 . 50793 1 162 . 1 . 1 14 14 LEU HD21 H 1 0.809 0.01 . 2 . . . . . 14 L HD21 . 50793 1 163 . 1 . 1 14 14 LEU HD22 H 1 0.809 0.01 . 2 . . . . . 14 L HD22 . 50793 1 164 . 1 . 1 14 14 LEU HD23 H 1 0.809 0.01 . 2 . . . . . 14 L HD23 . 50793 1 165 . 1 . 1 14 14 LEU C C 13 176.646 0.05 . 1 . . . . . 14 L C . 50793 1 166 . 1 . 1 14 14 LEU CA C 13 54.563 0.07 . 1 . . . . . 14 L CA . 50793 1 167 . 1 . 1 14 14 LEU CB C 13 42.834 0.07 . 1 . . . . . 14 L CB . 50793 1 168 . 1 . 1 14 14 LEU CG C 13 27.136 0.07 . 1 . . . . . 14 L CG . 50793 1 169 . 1 . 1 14 14 LEU CD1 C 13 25.397 0.07 . 2 . . . . . 14 L CD1 . 50793 1 170 . 1 . 1 14 14 LEU CD2 C 13 23.479 0.07 . 2 . . . . . 14 L CD2 . 50793 1 171 . 1 . 1 14 14 LEU N N 15 127.043 0.06 . 1 . . . . . 14 L N . 50793 1 172 . 1 . 1 15 15 GLU H H 1 8.363 0.01 . 1 . . . . . 15 E H . 50793 1 173 . 1 . 1 15 15 GLU HA H 1 4.345 0.01 . 1 . . . . . 15 E HA . 50793 1 174 . 1 . 1 15 15 GLU HB2 H 1 2.085 0.01 . 2 . . . . . 15 E HB2 . 50793 1 175 . 1 . 1 15 15 GLU HB3 H 1 1.919 0.01 . 2 . . . . . 15 E HB3 . 50793 1 176 . 1 . 1 15 15 GLU HG2 H 1 2.285 0.01 . 1 . . . . . 15 E HG2 . 50793 1 177 . 1 . 1 15 15 GLU HG3 H 1 2.285 0.01 . 1 . . . . . 15 E HG3 . 50793 1 178 . 1 . 1 15 15 GLU C C 13 176.429 0.05 . 1 . . . . . 15 E C . 50793 1 179 . 1 . 1 15 15 GLU CA C 13 56.242 0.07 . 1 . . . . . 15 E CA . 50793 1 180 . 1 . 1 15 15 GLU CB C 13 30.873 0.07 . 1 . . . . . 15 E CB . 50793 1 181 . 1 . 1 15 15 GLU CG C 13 36.342 0.07 . 1 . . . . . 15 E CG . 50793 1 182 . 1 . 1 15 15 GLU N N 15 120.637 0.06 . 1 . . . . . 15 E N . 50793 1 183 . 1 . 1 16 16 GLU H H 1 8.623 0.01 . 1 . . . . . 16 E H . 50793 1 184 . 1 . 1 16 16 GLU HA H 1 4.321 0.01 . 1 . . . . . 16 E HA . 50793 1 185 . 1 . 1 16 16 GLU HB2 H 1 2.035 0.01 . 2 . . . . . 16 E HB2 . 50793 1 186 . 1 . 1 16 16 GLU HB3 H 1 1.962 0.01 . 2 . . . . . 16 E HB3 . 50793 1 187 . 1 . 1 16 16 GLU HG2 H 1 2.294 0.01 . 1 . . . . . 16 E HG2 . 50793 1 188 . 1 . 1 16 16 GLU HG3 H 1 2.294 0.01 . 1 . . . . . 16 E HG3 . 50793 1 189 . 1 . 1 16 16 GLU C C 13 175.949 0.05 . 1 . . . . . 16 E C . 50793 1 190 . 1 . 1 16 16 GLU CA C 13 56.805 0.07 . 1 . . . . . 16 E CA . 50793 1 191 . 1 . 1 16 16 GLU CB C 13 30.732 0.07 . 1 . . . . . 16 E CB . 50793 1 192 . 1 . 1 16 16 GLU CG C 13 36.566 0.07 . 1 . . . . . 16 E CG . 50793 1 193 . 1 . 1 16 16 GLU N N 15 121.905 0.06 . 1 . . . . . 16 E N . 50793 1 194 . 1 . 1 17 17 ASP H H 1 8.503 0.01 . 1 . . . . . 17 D H . 50793 1 195 . 1 . 1 17 17 ASP HA H 1 4.672 0.01 . 1 . . . . . 17 D HA . 50793 1 196 . 1 . 1 17 17 ASP HB2 H 1 2.709 0.01 . 2 . . . . . 17 D HB2 . 50793 1 197 . 1 . 1 17 17 ASP HB3 H 1 2.541 0.01 . 2 . . . . . 17 D HB3 . 50793 1 198 . 1 . 1 17 17 ASP C C 13 175.486 0.05 . 1 . . . . . 17 D C . 50793 1 199 . 1 . 1 17 17 ASP CA C 13 53.970 0.07 . 1 . . . . . 17 D CA . 50793 1 200 . 1 . 1 17 17 ASP CB C 13 41.273 0.07 . 1 . . . . . 17 D CB . 50793 1 201 . 1 . 1 17 17 ASP N N 15 122.150 0.06 . 1 . . . . . 17 D N . 50793 1 202 . 1 . 1 18 18 TYR H H 1 8.102 0.01 . 1 . . . . . 18 Y H . 50793 1 203 . 1 . 1 18 18 TYR HA H 1 4.545 0.01 . 1 . . . . . 18 Y HA . 50793 1 204 . 1 . 1 18 18 TYR HB2 H 1 3.006 0.01 . 1 . . . . . 18 Y HB2 . 50793 1 205 . 1 . 1 18 18 TYR HB3 H 1 3.006 0.01 . 1 . . . . . 18 Y HB3 . 50793 1 206 . 1 . 1 18 18 TYR HD1 H 1 7.113 0.01 . 3 . . . . . 18 Y HD1 . 50793 1 207 . 1 . 1 18 18 TYR HD2 H 1 7.113 0.01 . 3 . . . . . 18 Y HD2 . 50793 1 208 . 1 . 1 18 18 TYR HE1 H 1 6.820 0.01 . 3 . . . . . 18 Y HE1 . 50793 1 209 . 1 . 1 18 18 TYR HE2 H 1 6.820 0.01 . 3 . . . . . 18 Y HE2 . 50793 1 210 . 1 . 1 18 18 TYR C C 13 174.994 0.05 . 1 . . . . . 18 Y C . 50793 1 211 . 1 . 1 18 18 TYR CA C 13 58.034 0.07 . 1 . . . . . 18 Y CA . 50793 1 212 . 1 . 1 18 18 TYR CB C 13 39.384 0.07 . 1 . . . . . 18 Y CB . 50793 1 213 . 1 . 1 18 18 TYR N N 15 121.692 0.06 . 1 . . . . . 18 Y N . 50793 1 214 . 1 . 1 19 19 ASP H H 1 8.345 0.01 . 1 . . . . . 19 D H . 50793 1 215 . 1 . 1 19 19 ASP HA H 1 4.646 0.01 . 1 . . . . . 19 D HA . 50793 1 216 . 1 . 1 19 19 ASP HB2 H 1 2.756 0.01 . 2 . . . . . 19 D HB2 . 50793 1 217 . 1 . 1 19 19 ASP HB3 H 1 2.612 0.01 . 2 . . . . . 19 D HB3 . 50793 1 218 . 1 . 1 19 19 ASP C C 13 176.218 0.05 . 1 . . . . . 19 D C . 50793 1 219 . 1 . 1 19 19 ASP CA C 13 53.493 0.07 . 1 . . . . . 19 D CA . 50793 1 220 . 1 . 1 19 19 ASP CB C 13 41.436 0.07 . 1 . . . . . 19 D CB . 50793 1 221 . 1 . 1 19 19 ASP N N 15 124.042 0.06 . 1 . . . . . 19 D N . 50793 1 222 . 1 . 1 20 20 GLU H H 1 8.559 0.01 . 1 . . . . . 20 E H . 50793 1 223 . 1 . 1 20 20 GLU HA H 1 4.276 0.01 . 1 . . . . . 20 E HA . 50793 1 224 . 1 . 1 20 20 GLU HB2 H 1 2.150 0.01 . 2 . . . . . 20 E HB2 . 50793 1 225 . 1 . 1 20 20 GLU HB3 H 1 2.085 0.01 . 2 . . . . . 20 E HB3 . 50793 1 226 . 1 . 1 20 20 GLU HG2 H 1 2.316 0.01 . 1 . . . . . 20 E HG2 . 50793 1 227 . 1 . 1 20 20 GLU HG3 H 1 2.316 0.01 . 1 . . . . . 20 E HG3 . 50793 1 228 . 1 . 1 20 20 GLU C C 13 176.546 0.05 . 1 . . . . . 20 E C . 50793 1 229 . 1 . 1 20 20 GLU CA C 13 57.304 0.07 . 1 . . . . . 20 E CA . 50793 1 230 . 1 . 1 20 20 GLU CB C 13 30.037 0.07 . 1 . . . . . 20 E CB . 50793 1 231 . 1 . 1 20 20 GLU CG C 13 36.217 0.07 . 1 . . . . . 20 E CG . 50793 1 232 . 1 . 1 20 20 GLU N N 15 122.881 0.06 . 1 . . . . . 20 E N . 50793 1 233 . 1 . 1 21 21 THR H H 1 8.437 0.01 . 1 . . . . . 21 T H . 50793 1 234 . 1 . 1 21 21 THR HA H 1 4.345 0.01 . 1 . . . . . 21 T HA . 50793 1 235 . 1 . 1 21 21 THR HB H 1 4.244 0.01 . 1 . . . . . 21 T HB . 50793 1 236 . 1 . 1 21 21 THR HG21 H 1 1.227 0.01 . 1 . . . . . 21 T HG21 . 50793 1 237 . 1 . 1 21 21 THR HG22 H 1 1.227 0.01 . 1 . . . . . 21 T HG22 . 50793 1 238 . 1 . 1 21 21 THR HG23 H 1 1.227 0.01 . 1 . . . . . 21 T HG23 . 50793 1 239 . 1 . 1 21 21 THR C C 13 174.249 0.05 . 1 . . . . . 21 T C . 50793 1 240 . 1 . 1 21 21 THR CA C 13 62.210 0.07 . 1 . . . . . 21 T CA . 50793 1 241 . 1 . 1 21 21 THR CB C 13 69.810 0.07 . 1 . . . . . 21 T CB . 50793 1 242 . 1 . 1 21 21 THR CG2 C 13 21.799 0.07 . 1 . . . . . 21 T CG2 . 50793 1 243 . 1 . 1 21 21 THR N N 15 113.724 0.06 . 1 . . . . . 21 T N . 50793 1 244 . 1 . 1 22 22 TYR H H 1 7.912 0.01 . 1 . . . . . 22 Y H . 50793 1 245 . 1 . 1 22 22 TYR HA H 1 4.426 0.01 . 1 . . . . . 22 Y HA . 50793 1 246 . 1 . 1 22 22 TYR HB2 H 1 3.060 0.01 . 2 . . . . . 22 Y HB2 . 50793 1 247 . 1 . 1 22 22 TYR HB3 H 1 2.834 0.01 . 2 . . . . . 22 Y HB3 . 50793 1 248 . 1 . 1 22 22 TYR HD1 H 1 7.006 0.01 . 3 . . . . . 22 Y HD1 . 50793 1 249 . 1 . 1 22 22 TYR HD2 H 1 7.006 0.01 . 3 . . . . . 22 Y HD2 . 50793 1 250 . 1 . 1 22 22 TYR HE1 H 1 6.741 0.01 . 3 . . . . . 22 Y HE1 . 50793 1 251 . 1 . 1 22 22 TYR HE2 H 1 6.741 0.01 . 3 . . . . . 22 Y HE2 . 50793 1 252 . 1 . 1 22 22 TYR C C 13 174.349 0.05 . 1 . . . . . 22 Y C . 50793 1 253 . 1 . 1 22 22 TYR CA C 13 58.490 0.07 . 1 . . . . . 22 Y CA . 50793 1 254 . 1 . 1 22 22 TYR CB C 13 38.760 0.07 . 1 . . . . . 22 Y CB . 50793 1 255 . 1 . 1 22 22 TYR N N 15 125.025 0.06 . 1 . . . . . 22 Y N . 50793 1 256 . 1 . 1 23 23 ILE H H 1 7.900 0.01 . 1 . . . . . 23 I H . 50793 1 257 . 1 . 1 23 23 ILE HA H 1 4.263 0.01 . 1 . . . . . 23 I HA . 50793 1 258 . 1 . 1 23 23 ILE HB H 1 1.652 0.01 . 1 . . . . . 23 I HB . 50793 1 259 . 1 . 1 23 23 ILE HG12 H 1 1.488 0.01 . 2 . . . . . 23 I HG12 . 50793 1 260 . 1 . 1 23 23 ILE HG13 H 1 1.028 0.01 . 2 . . . . . 23 I HG13 . 50793 1 261 . 1 . 1 23 23 ILE HG21 H 1 0.787 0.01 . 1 . . . . . 23 I HG21 . 50793 1 262 . 1 . 1 23 23 ILE HG22 H 1 0.787 0.01 . 1 . . . . . 23 I HG22 . 50793 1 263 . 1 . 1 23 23 ILE HG23 H 1 0.787 0.01 . 1 . . . . . 23 I HG23 . 50793 1 264 . 1 . 1 23 23 ILE HD11 H 1 0.812 0.01 . 1 . . . . . 23 I HD11 . 50793 1 265 . 1 . 1 23 23 ILE HD12 H 1 0.812 0.01 . 1 . . . . . 23 I HD12 . 50793 1 266 . 1 . 1 23 23 ILE HD13 H 1 0.812 0.01 . 1 . . . . . 23 I HD13 . 50793 1 267 . 1 . 1 23 23 ILE C C 13 173.247 0.05 . 1 . . . . . 23 I C . 50793 1 268 . 1 . 1 23 23 ILE CA C 13 57.304 0.07 . 1 . . . . . 23 I CA . 50793 1 269 . 1 . 1 23 23 ILE CB C 13 39.248 0.07 . 1 . . . . . 23 I CB . 50793 1 270 . 1 . 1 23 23 ILE CG1 C 13 26.743 0.07 . 1 . . . . . 23 I CG1 . 50793 1 271 . 1 . 1 23 23 ILE CG2 C 13 16.866 0.07 . 1 . . . . . 23 I CG2 . 50793 1 272 . 1 . 1 23 23 ILE CD1 C 13 12.649 0.07 . 1 . . . . . 23 I CD1 . 50793 1 273 . 1 . 1 23 23 ILE N N 15 129.946 0.06 . 1 . . . . . 23 I N . 50793 1 274 . 1 . 1 24 24 PRO HA H 1 4.326 0.01 . 1 . . . . . 24 P HA . 50793 1 275 . 1 . 1 24 24 PRO HB2 H 1 2.207 0.01 . 2 . . . . . 24 P HB2 . 50793 1 276 . 1 . 1 24 24 PRO HB3 H 1 1.816 0.01 . 2 . . . . . 24 P HB3 . 50793 1 277 . 1 . 1 24 24 PRO HG2 H 1 1.888 0.01 . 2 . . . . . 24 P HG2 . 50793 1 278 . 1 . 1 24 24 PRO HG3 H 1 1.757 0.01 . 2 . . . . . 24 P HG3 . 50793 1 279 . 1 . 1 24 24 PRO HD2 H 1 3.577 0.01 . 2 . . . . . 24 P HD2 . 50793 1 280 . 1 . 1 24 24 PRO HD3 H 1 3.274 0.01 . 2 . . . . . 24 P HD3 . 50793 1 281 . 1 . 1 24 24 PRO C C 13 176.025 0.05 . 1 . . . . . 24 P C . 50793 1 282 . 1 . 1 24 24 PRO CA C 13 62.148 0.07 . 1 . . . . . 24 P CA . 50793 1 283 . 1 . 1 24 24 PRO CB C 13 32.409 0.07 . 1 . . . . . 24 P CB . 50793 1 284 . 1 . 1 24 24 PRO CG C 13 27.191 0.07 . 1 . . . . . 24 P CG . 50793 1 285 . 1 . 1 24 24 PRO CD C 13 50.699 0.07 . 1 . . . . . 24 P CD . 50793 1 286 . 1 . 1 25 25 SER H H 1 8.751 0.01 . 1 . . . . . 25 S H . 50793 1 287 . 1 . 1 25 25 SER HA H 1 4.519 0.01 . 1 . . . . . 25 S HA . 50793 1 288 . 1 . 1 25 25 SER HB2 H 1 4.430 0.01 . 2 . . . . . 25 S HB2 . 50793 1 289 . 1 . 1 25 25 SER HB3 H 1 4.118 0.01 . 2 . . . . . 25 S HB3 . 50793 1 290 . 1 . 1 25 25 SER C C 13 174.988 0.05 . 1 . . . . . 25 S C . 50793 1 291 . 1 . 1 25 25 SER CA C 13 56.836 0.07 . 1 . . . . . 25 S CA . 50793 1 292 . 1 . 1 25 25 SER CB C 13 65.744 0.07 . 1 . . . . . 25 S CB . 50793 1 293 . 1 . 1 25 25 SER N N 15 117.932 0.06 . 1 . . . . . 25 S N . 50793 1 294 . 1 . 1 26 26 GLU H H 1 8.955 0.01 . 1 . . . . . 26 E H . 50793 1 295 . 1 . 1 26 26 GLU HA H 1 4.051 0.01 . 1 . . . . . 26 E HA . 50793 1 296 . 1 . 1 26 26 GLU HB2 H 1 2.091 0.01 . 1 . . . . . 26 E HB2 . 50793 1 297 . 1 . 1 26 26 GLU HB3 H 1 2.091 0.01 . 1 . . . . . 26 E HB3 . 50793 1 298 . 1 . 1 26 26 GLU HG2 H 1 2.385 0.01 . 2 . . . . . 26 E HG2 . 50793 1 299 . 1 . 1 26 26 GLU HG3 H 1 2.328 0.01 . 2 . . . . . 26 E HG3 . 50793 1 300 . 1 . 1 26 26 GLU C C 13 178.966 0.05 . 1 . . . . . 26 E C . 50793 1 301 . 1 . 1 26 26 GLU CA C 13 59.688 0.07 . 1 . . . . . 26 E CA . 50793 1 302 . 1 . 1 26 26 GLU CB C 13 29.201 0.07 . 1 . . . . . 26 E CB . 50793 1 303 . 1 . 1 26 26 GLU CG C 13 35.992 0.07 . 1 . . . . . 26 E CG . 50793 1 304 . 1 . 1 26 26 GLU N N 15 120.816 0.06 . 1 . . . . . 26 E N . 50793 1 305 . 1 . 1 27 27 GLN H H 1 8.450 0.01 . 1 . . . . . 27 Q H . 50793 1 306 . 1 . 1 27 27 GLN HA H 1 4.039 0.01 . 1 . . . . . 27 Q HA . 50793 1 307 . 1 . 1 27 27 GLN HB2 H 1 2.188 0.01 . 2 . . . . . 27 Q HB2 . 50793 1 308 . 1 . 1 27 27 GLN HB3 H 1 2.016 0.01 . 2 . . . . . 27 Q HB3 . 50793 1 309 . 1 . 1 27 27 GLN HG2 H 1 2.506 0.01 . 2 . . . . . 27 Q HG2 . 50793 1 310 . 1 . 1 27 27 GLN HG3 H 1 2.462 0.01 . 2 . . . . . 27 Q HG3 . 50793 1 311 . 1 . 1 27 27 GLN C C 13 178.539 0.05 . 1 . . . . . 27 Q C . 50793 1 312 . 1 . 1 27 27 GLN CA C 13 59.438 0.07 . 1 . . . . . 27 Q CA . 50793 1 313 . 1 . 1 27 27 GLN CB C 13 28.023 0.07 . 1 . . . . . 27 Q CB . 50793 1 314 . 1 . 1 27 27 GLN CG C 13 33.637 0.07 . 1 . . . . . 27 Q CG . 50793 1 315 . 1 . 1 27 27 GLN N N 15 117.509 0.06 . 1 . . . . . 27 Q N . 50793 1 316 . 1 . 1 28 28 GLU H H 1 7.838 0.01 . 1 . . . . . 28 E H . 50793 1 317 . 1 . 1 28 28 GLU HA H 1 4.051 0.01 . 1 . . . . . 28 E HA . 50793 1 318 . 1 . 1 28 28 GLU HB2 H 1 2.428 0.01 . 2 . . . . . 28 E HB2 . 50793 1 319 . 1 . 1 28 28 GLU HB3 H 1 2.007 0.01 . 2 . . . . . 28 E HB3 . 50793 1 320 . 1 . 1 28 28 GLU HG2 H 1 2.409 0.01 . 1 . . . . . 28 E HG2 . 50793 1 321 . 1 . 1 28 28 GLU HG3 H 1 2.409 0.01 . 1 . . . . . 28 E HG3 . 50793 1 322 . 1 . 1 28 28 GLU C C 13 179.886 0.05 . 1 . . . . . 28 E C . 50793 1 323 . 1 . 1 28 28 GLU CA C 13 59.601 0.07 . 1 . . . . . 28 E CA . 50793 1 324 . 1 . 1 28 28 GLU CB C 13 29.775 0.07 . 1 . . . . . 28 E CB . 50793 1 325 . 1 . 1 28 28 GLU CG C 13 37.980 0.07 . 1 . . . . . 28 E CG . 50793 1 326 . 1 . 1 28 28 GLU N N 15 120.006 0.06 . 1 . . . . . 28 E N . 50793 1 327 . 1 . 1 29 29 ILE H H 1 8.171 0.01 . 1 . . . . . 29 I H . 50793 1 328 . 1 . 1 29 29 ILE HA H 1 3.607 0.01 . 1 . . . . . 29 I HA . 50793 1 329 . 1 . 1 29 29 ILE HB H 1 1.986 0.01 . 1 . . . . . 29 I HB . 50793 1 330 . 1 . 1 29 29 ILE HG12 H 1 1.798 0.01 . 2 . . . . . 29 I HG12 . 50793 1 331 . 1 . 1 29 29 ILE HG13 H 1 0.877 0.01 . 2 . . . . . 29 I HG13 . 50793 1 332 . 1 . 1 29 29 ILE HG21 H 1 0.798 0.01 . 1 . . . . . 29 I HG21 . 50793 1 333 . 1 . 1 29 29 ILE HG22 H 1 0.798 0.01 . 1 . . . . . 29 I HG22 . 50793 1 334 . 1 . 1 29 29 ILE HG23 H 1 0.798 0.01 . 1 . . . . . 29 I HG23 . 50793 1 335 . 1 . 1 29 29 ILE HD11 H 1 0.797 0.01 . 1 . . . . . 29 I HD11 . 50793 1 336 . 1 . 1 29 29 ILE HD12 H 1 0.797 0.01 . 1 . . . . . 29 I HD12 . 50793 1 337 . 1 . 1 29 29 ILE HD13 H 1 0.797 0.01 . 1 . . . . . 29 I HD13 . 50793 1 338 . 1 . 1 29 29 ILE C C 13 177.472 0.05 . 1 . . . . . 29 I C . 50793 1 339 . 1 . 1 29 29 ILE CA C 13 66.025 0.07 . 1 . . . . . 29 I CA . 50793 1 340 . 1 . 1 29 29 ILE CB C 13 37.795 0.07 . 1 . . . . . 29 I CB . 50793 1 341 . 1 . 1 29 29 ILE CG1 C 13 30.412 0.07 . 1 . . . . . 29 I CG1 . 50793 1 342 . 1 . 1 29 29 ILE CG2 C 13 17.979 0.07 . 1 . . . . . 29 I CG2 . 50793 1 343 . 1 . 1 29 29 ILE CD1 C 13 13.824 0.07 . 1 . . . . . 29 I CD1 . 50793 1 344 . 1 . 1 29 29 ILE N N 15 121.733 0.06 . 1 . . . . . 29 I N . 50793 1 345 . 1 . 1 30 30 LEU H H 1 8.252 0.01 . 1 . . . . . 30 L H . 50793 1 346 . 1 . 1 30 30 LEU HA H 1 3.909 0.01 . 1 . . . . . 30 L HA . 50793 1 347 . 1 . 1 30 30 LEU HB2 H 1 1.988 0.01 . 2 . . . . . 30 L HB2 . 50793 1 348 . 1 . 1 30 30 LEU HB3 H 1 1.542 0.01 . 2 . . . . . 30 L HB3 . 50793 1 349 . 1 . 1 30 30 LEU HG H 1 1.798 0.01 . 1 . . . . . 30 L HG . 50793 1 350 . 1 . 1 30 30 LEU HD11 H 1 0.934 0.01 . 2 . . . . . 30 L HD11 . 50793 1 351 . 1 . 1 30 30 LEU HD12 H 1 0.934 0.01 . 2 . . . . . 30 L HD12 . 50793 1 352 . 1 . 1 30 30 LEU HD13 H 1 0.934 0.01 . 2 . . . . . 30 L HD13 . 50793 1 353 . 1 . 1 30 30 LEU HD21 H 1 0.896 0.01 . 2 . . . . . 30 L HD21 . 50793 1 354 . 1 . 1 30 30 LEU HD22 H 1 0.896 0.01 . 2 . . . . . 30 L HD22 . 50793 1 355 . 1 . 1 30 30 LEU HD23 H 1 0.896 0.01 . 2 . . . . . 30 L HD23 . 50793 1 356 . 1 . 1 30 30 LEU C C 13 179.189 0.05 . 1 . . . . . 30 L C . 50793 1 357 . 1 . 1 30 30 LEU CA C 13 58.784 0.07 . 1 . . . . . 30 L CA . 50793 1 358 . 1 . 1 30 30 LEU CB C 13 41.960 0.07 . 1 . . . . . 30 L CB . 50793 1 359 . 1 . 1 30 30 LEU CG C 13 27.339 0.07 . 1 . . . . . 30 L CG . 50793 1 360 . 1 . 1 30 30 LEU CD1 C 13 25.390 0.07 . 2 . . . . . 30 L CD1 . 50793 1 361 . 1 . 1 30 30 LEU CD2 C 13 23.889 0.07 . 2 . . . . . 30 L CD2 . 50793 1 362 . 1 . 1 30 30 LEU N N 15 120.992 0.06 . 1 . . . . . 30 L N . 50793 1 363 . 1 . 1 31 31 GLU H H 1 8.027 0.01 . 1 . . . . . 31 E H . 50793 1 364 . 1 . 1 31 31 GLU HA H 1 4.107 0.01 . 1 . . . . . 31 E HA . 50793 1 365 . 1 . 1 31 31 GLU HB2 H 1 2.160 0.01 . 1 . . . . . 31 E HB2 . 50793 1 366 . 1 . 1 31 31 GLU HB3 H 1 2.160 0.01 . 1 . . . . . 31 E HB3 . 50793 1 367 . 1 . 1 31 31 GLU HG2 H 1 2.537 0.01 . 2 . . . . . 31 E HG2 . 50793 1 368 . 1 . 1 31 31 GLU HG3 H 1 2.402 0.01 . 2 . . . . . 31 E HG3 . 50793 1 369 . 1 . 1 31 31 GLU C C 13 179.312 0.05 . 1 . . . . . 31 E C . 50793 1 370 . 1 . 1 31 31 GLU CA C 13 59.401 0.07 . 1 . . . . . 31 E CA . 50793 1 371 . 1 . 1 31 31 GLU CB C 13 29.313 0.07 . 1 . . . . . 31 E CB . 50793 1 372 . 1 . 1 31 31 GLU CG C 13 36.342 0.07 . 1 . . . . . 31 E CG . 50793 1 373 . 1 . 1 31 31 GLU N N 15 118.166 0.06 . 1 . . . . . 31 E N . 50793 1 374 . 1 . 1 32 32 PHE H H 1 8.306 0.01 . 1 . . . . . 32 F H . 50793 1 375 . 1 . 1 32 32 PHE HA H 1 4.324 0.01 . 1 . . . . . 32 F HA . 50793 1 376 . 1 . 1 32 32 PHE HB2 H 1 3.283 0.01 . 2 . . . . . 32 F HB2 . 50793 1 377 . 1 . 1 32 32 PHE HB3 H 1 2.937 0.01 . 2 . . . . . 32 F HB3 . 50793 1 378 . 1 . 1 32 32 PHE HD1 H 1 7.147 0.01 . 3 . . . . . 32 F HD1 . 50793 1 379 . 1 . 1 32 32 PHE HD2 H 1 7.147 0.01 . 3 . . . . . 32 F HD2 . 50793 1 380 . 1 . 1 32 32 PHE HE1 H 1 7.035 0.01 . 3 . . . . . 32 F HE1 . 50793 1 381 . 1 . 1 32 32 PHE HE2 H 1 7.035 0.01 . 3 . . . . . 32 F HE2 . 50793 1 382 . 1 . 1 32 32 PHE HZ H 1 6.586 0.01 . 1 . . . . . 32 F HZ . 50793 1 383 . 1 . 1 32 32 PHE C C 13 176.664 0.05 . 1 . . . . . 32 F C . 50793 1 384 . 1 . 1 32 32 PHE CA C 13 61.324 0.07 . 1 . . . . . 32 F CA . 50793 1 385 . 1 . 1 32 32 PHE CB C 13 40.126 0.07 . 1 . . . . . 32 F CB . 50793 1 386 . 1 . 1 32 32 PHE N N 15 122.037 0.06 . 1 . . . . . 32 F N . 50793 1 387 . 1 . 1 33 33 ALA H H 1 8.814 0.01 . 1 . . . . . 33 A H . 50793 1 388 . 1 . 1 33 33 ALA HA H 1 3.633 0.01 . 1 . . . . . 33 A HA . 50793 1 389 . 1 . 1 33 33 ALA HB1 H 1 1.437 0.01 . 1 . . . . . 33 A HB1 . 50793 1 390 . 1 . 1 33 33 ALA HB2 H 1 1.437 0.01 . 1 . . . . . 33 A HB2 . 50793 1 391 . 1 . 1 33 33 ALA HB3 H 1 1.437 0.01 . 1 . . . . . 33 A HB3 . 50793 1 392 . 1 . 1 33 33 ALA C C 13 178.861 0.05 . 1 . . . . . 33 A C . 50793 1 393 . 1 . 1 33 33 ALA CA C 13 55.187 0.07 . 1 . . . . . 33 A CA . 50793 1 394 . 1 . 1 33 33 ALA CB C 13 18.207 0.07 . 1 . . . . . 33 A CB . 50793 1 395 . 1 . 1 33 33 ALA N N 15 119.496 0.06 . 1 . . . . . 33 A N . 50793 1 396 . 1 . 1 34 34 ARG H H 1 7.657 0.01 . 1 . . . . . 34 R H . 50793 1 397 . 1 . 1 34 34 ARG HA H 1 4.359 0.01 . 1 . . . . . 34 R HA . 50793 1 398 . 1 . 1 34 34 ARG HB2 H 1 2.026 0.01 . 2 . . . . . 34 R HB2 . 50793 1 399 . 1 . 1 34 34 ARG HB3 H 1 1.935 0.01 . 2 . . . . . 34 R HB3 . 50793 1 400 . 1 . 1 34 34 ARG HG2 H 1 1.941 0.01 . 2 . . . . . 34 R HG2 . 50793 1 401 . 1 . 1 34 34 ARG HG3 H 1 1.657 0.01 . 2 . . . . . 34 R HG3 . 50793 1 402 . 1 . 1 34 34 ARG HD2 H 1 3.265 0.01 . 1 . . . . . 34 R HD2 . 50793 1 403 . 1 . 1 34 34 ARG HD3 H 1 3.265 0.01 . 1 . . . . . 34 R HD3 . 50793 1 404 . 1 . 1 34 34 ARG C C 13 180.824 0.05 . 1 . . . . . 34 R C . 50793 1 405 . 1 . 1 34 34 ARG CA C 13 59.376 0.07 . 1 . . . . . 34 R CA . 50793 1 406 . 1 . 1 34 34 ARG CB C 13 29.875 0.07 . 1 . . . . . 34 R CB . 50793 1 407 . 1 . 1 34 34 ARG CG C 13 28.651 0.07 . 1 . . . . . 34 R CG . 50793 1 408 . 1 . 1 34 34 ARG CD C 13 43.545 0.07 . 1 . . . . . 34 R CD . 50793 1 409 . 1 . 1 34 34 ARG N N 15 115.503 0.06 . 1 . . . . . 34 R N . 50793 1 410 . 1 . 1 35 35 GLU H H 1 7.977 0.01 . 1 . . . . . 35 E H . 50793 1 411 . 1 . 1 35 35 GLU HA H 1 4.046 0.01 . 1 . . . . . 35 E HA . 50793 1 412 . 1 . 1 35 35 GLU HB2 H 1 2.219 0.01 . 2 . . . . . 35 E HB2 . 50793 1 413 . 1 . 1 35 35 GLU HB3 H 1 2.069 0.01 . 2 . . . . . 35 E HB3 . 50793 1 414 . 1 . 1 35 35 GLU HG2 H 1 2.346 0.01 . 1 . . . . . 35 E HG2 . 50793 1 415 . 1 . 1 35 35 GLU HG3 H 1 2.346 0.01 . 1 . . . . . 35 E HG3 . 50793 1 416 . 1 . 1 35 35 GLU C C 13 179.072 0.05 . 1 . . . . . 35 E C . 50793 1 417 . 1 . 1 35 35 GLU CA C 13 59.138 0.07 . 1 . . . . . 35 E CA . 50793 1 418 . 1 . 1 35 35 GLU CB C 13 29.201 0.07 . 1 . . . . . 35 E CB . 50793 1 419 . 1 . 1 35 35 GLU CG C 13 35.630 0.07 . 1 . . . . . 35 E CG . 50793 1 420 . 1 . 1 35 35 GLU N N 15 122.333 0.06 . 1 . . . . . 35 E N . 50793 1 421 . 1 . 1 36 36 ILE H H 1 7.583 0.01 . 1 . . . . . 36 I H . 50793 1 422 . 1 . 1 36 36 ILE HA H 1 4.377 0.01 . 1 . . . . . 36 I HA . 50793 1 423 . 1 . 1 36 36 ILE HB H 1 1.859 0.01 . 1 . . . . . 36 I HB . 50793 1 424 . 1 . 1 36 36 ILE HG12 H 1 1.136 0.01 . 2 . . . . . 36 I HG12 . 50793 1 425 . 1 . 1 36 36 ILE HG13 H 1 1.042 0.01 . 2 . . . . . 36 I HG13 . 50793 1 426 . 1 . 1 36 36 ILE HG21 H 1 0.258 0.01 . 1 . . . . . 36 I HG21 . 50793 1 427 . 1 . 1 36 36 ILE HG22 H 1 0.258 0.01 . 1 . . . . . 36 I HG22 . 50793 1 428 . 1 . 1 36 36 ILE HG23 H 1 0.258 0.01 . 1 . . . . . 36 I HG23 . 50793 1 429 . 1 . 1 36 36 ILE HD11 H 1 0.456 0.01 . 1 . . . . . 36 I HD11 . 50793 1 430 . 1 . 1 36 36 ILE HD12 H 1 0.456 0.01 . 1 . . . . . 36 I HD12 . 50793 1 431 . 1 . 1 36 36 ILE HD13 H 1 0.456 0.01 . 1 . . . . . 36 I HD13 . 50793 1 432 . 1 . 1 36 36 ILE C C 13 174.982 0.05 . 1 . . . . . 36 I C . 50793 1 433 . 1 . 1 36 36 ILE CA C 13 61.541 0.07 . 1 . . . . . 36 I CA . 50793 1 434 . 1 . 1 36 36 ILE CB C 13 37.163 0.07 . 1 . . . . . 36 I CB . 50793 1 435 . 1 . 1 36 36 ILE CG1 C 13 25.518 0.07 . 1 . . . . . 36 I CG1 . 50793 1 436 . 1 . 1 36 36 ILE CG2 C 13 17.304 0.07 . 1 . . . . . 36 I CG2 . 50793 1 437 . 1 . 1 36 36 ILE CD1 C 13 14.761 0.07 . 1 . . . . . 36 I CD1 . 50793 1 438 . 1 . 1 36 36 ILE N N 15 109.702 0.06 . 1 . . . . . 36 I N . 50793 1 439 . 1 . 1 37 37 GLY H H 1 7.560 0.01 . 1 . . . . . 37 G H . 50793 1 440 . 1 . 1 37 37 GLY HA2 H 1 3.689 0.01 . 2 . . . . . 37 G HA2 . 50793 1 441 . 1 . 1 37 37 GLY HA3 H 1 4.095 0.01 . 2 . . . . . 37 G HA3 . 50793 1 442 . 1 . 1 37 37 GLY C C 13 174.513 0.05 . 1 . . . . . 37 G C . 50793 1 443 . 1 . 1 37 37 GLY CA C 13 45.872 0.07 . 1 . . . . . 37 G CA . 50793 1 444 . 1 . 1 37 37 GLY N N 15 107.955 0.06 . 1 . . . . . 37 G N . 50793 1 445 . 1 . 1 38 38 ILE H H 1 8.318 0.01 . 1 . . . . . 38 I H . 50793 1 446 . 1 . 1 38 38 ILE HA H 1 3.688 0.01 . 1 . . . . . 38 I HA . 50793 1 447 . 1 . 1 38 38 ILE HB H 1 1.372 0.01 . 1 . . . . . 38 I HB . 50793 1 448 . 1 . 1 38 38 ILE HG12 H 1 1.549 0.01 . 2 . . . . . 38 I HG12 . 50793 1 449 . 1 . 1 38 38 ILE HG13 H 1 0.623 0.01 . 2 . . . . . 38 I HG13 . 50793 1 450 . 1 . 1 38 38 ILE HG21 H 1 0.617 0.01 . 1 . . . . . 38 I HG21 . 50793 1 451 . 1 . 1 38 38 ILE HG22 H 1 0.617 0.01 . 1 . . . . . 38 I HG22 . 50793 1 452 . 1 . 1 38 38 ILE HG23 H 1 0.617 0.01 . 1 . . . . . 38 I HG23 . 50793 1 453 . 1 . 1 38 38 ILE HD11 H 1 0.659 0.01 . 1 . . . . . 38 I HD11 . 50793 1 454 . 1 . 1 38 38 ILE HD12 H 1 0.659 0.01 . 1 . . . . . 38 I HD12 . 50793 1 455 . 1 . 1 38 38 ILE HD13 H 1 0.659 0.01 . 1 . . . . . 38 I HD13 . 50793 1 456 . 1 . 1 38 38 ILE C C 13 175.644 0.05 . 1 . . . . . 38 I C . 50793 1 457 . 1 . 1 38 38 ILE CA C 13 61.278 0.07 . 1 . . . . . 38 I CA . 50793 1 458 . 1 . 1 38 38 ILE CB C 13 40.344 0.07 . 1 . . . . . 38 I CB . 50793 1 459 . 1 . 1 38 38 ILE CG1 C 13 29.445 0.07 . 1 . . . . . 38 I CG1 . 50793 1 460 . 1 . 1 38 38 ILE CG2 C 13 17.880 0.07 . 1 . . . . . 38 I CG2 . 50793 1 461 . 1 . 1 38 38 ILE CD1 C 13 15.405 0.07 . 1 . . . . . 38 I CD1 . 50793 1 462 . 1 . 1 38 38 ILE N N 15 123.199 0.06 . 1 . . . . . 38 I N . 50793 1 463 . 1 . 1 39 39 ASP H H 1 8.740 0.01 . 1 . . . . . 39 D H . 50793 1 464 . 1 . 1 39 39 ASP HA H 1 5.082 0.01 . 1 . . . . . 39 D HA . 50793 1 465 . 1 . 1 39 39 ASP HB2 H 1 2.874 0.01 . 2 . . . . . 39 D HB2 . 50793 1 466 . 1 . 1 39 39 ASP HB3 H 1 2.535 0.01 . 2 . . . . . 39 D HB3 . 50793 1 467 . 1 . 1 39 39 ASP C C 13 174.519 0.05 . 1 . . . . . 39 D C . 50793 1 468 . 1 . 1 39 39 ASP CA C 13 50.182 0.07 . 1 . . . . . 39 D CA . 50793 1 469 . 1 . 1 39 39 ASP CB C 13 41.570 0.07 . 1 . . . . . 39 D CB . 50793 1 470 . 1 . 1 39 39 ASP N N 15 126.746 0.06 . 1 . . . . . 39 D N . 50793 1 471 . 1 . 1 40 40 PRO HA H 1 3.980 0.01 . 1 . . . . . 40 P HA . 50793 1 472 . 1 . 1 40 40 PRO HB2 H 1 2.410 0.01 . 2 . . . . . 40 P HB2 . 50793 1 473 . 1 . 1 40 40 PRO HB3 H 1 1.868 0.01 . 2 . . . . . 40 P HB3 . 50793 1 474 . 1 . 1 40 40 PRO HG2 H 1 2.001 0.01 . 2 . . . . . 40 P HG2 . 50793 1 475 . 1 . 1 40 40 PRO HG3 H 1 1.813 0.01 . 2 . . . . . 40 P HG3 . 50793 1 476 . 1 . 1 40 40 PRO HD2 H 1 4.304 0.01 . 2 . . . . . 40 P HD2 . 50793 1 477 . 1 . 1 40 40 PRO HD3 H 1 3.775 0.01 . 2 . . . . . 40 P HD3 . 50793 1 478 . 1 . 1 40 40 PRO C C 13 176.992 0.05 . 1 . . . . . 40 P C . 50793 1 479 . 1 . 1 40 40 PRO CA C 13 64.607 0.07 . 1 . . . . . 40 P CA . 50793 1 480 . 1 . 1 40 40 PRO CB C 13 33.422 0.07 . 1 . . . . . 40 P CB . 50793 1 481 . 1 . 1 40 40 PRO CG C 13 27.615 0.07 . 1 . . . . . 40 P CG . 50793 1 482 . 1 . 1 40 40 PRO CD C 13 50.785 0.07 . 1 . . . . . 40 P CD . 50793 1 483 . 1 . 1 41 41 ILE H H 1 7.605 0.01 . 1 . . . . . 41 I H . 50793 1 484 . 1 . 1 41 41 ILE HA H 1 3.929 0.01 . 1 . . . . . 41 I HA . 50793 1 485 . 1 . 1 41 41 ILE HB H 1 2.021 0.01 . 1 . . . . . 41 I HB . 50793 1 486 . 1 . 1 41 41 ILE HG12 H 1 1.531 0.01 . 2 . . . . . 41 I HG12 . 50793 1 487 . 1 . 1 41 41 ILE HG13 H 1 1.312 0.01 . 2 . . . . . 41 I HG13 . 50793 1 488 . 1 . 1 41 41 ILE HG21 H 1 0.901 0.01 . 1 . . . . . 41 I HG21 . 50793 1 489 . 1 . 1 41 41 ILE HG22 H 1 0.901 0.01 . 1 . . . . . 41 I HG22 . 50793 1 490 . 1 . 1 41 41 ILE HG23 H 1 0.901 0.01 . 1 . . . . . 41 I HG23 . 50793 1 491 . 1 . 1 41 41 ILE HD11 H 1 0.854 0.01 . 1 . . . . . 41 I HD11 . 50793 1 492 . 1 . 1 41 41 ILE HD12 H 1 0.854 0.01 . 1 . . . . . 41 I HD12 . 50793 1 493 . 1 . 1 41 41 ILE HD13 H 1 0.854 0.01 . 1 . . . . . 41 I HD13 . 50793 1 494 . 1 . 1 41 41 ILE C C 13 177.970 0.05 . 1 . . . . . 41 I C . 50793 1 495 . 1 . 1 41 41 ILE CA C 13 62.052 0.07 . 1 . . . . . 41 I CA . 50793 1 496 . 1 . 1 41 41 ILE CB C 13 37.354 0.07 . 1 . . . . . 41 I CB . 50793 1 497 . 1 . 1 41 41 ILE CG1 C 13 28.316 0.07 . 1 . . . . . 41 I CG1 . 50793 1 498 . 1 . 1 41 41 ILE CG2 C 13 17.344 0.07 . 1 . . . . . 41 I CG2 . 50793 1 499 . 1 . 1 41 41 ILE CD1 C 13 11.326 0.07 . 1 . . . . . 41 I CD1 . 50793 1 500 . 1 . 1 41 41 ILE N N 15 114.283 0.06 . 1 . . . . . 41 I N . 50793 1 501 . 1 . 1 42 42 LYS H H 1 7.285 0.01 . 1 . . . . . 42 K H . 50793 1 502 . 1 . 1 42 42 LYS HA H 1 4.276 0.01 . 1 . . . . . 42 K HA . 50793 1 503 . 1 . 1 42 42 LYS HB2 H 1 1.911 0.01 . 2 . . . . . 42 K HB2 . 50793 1 504 . 1 . 1 42 42 LYS HB3 H 1 1.622 0.01 . 2 . . . . . 42 K HB3 . 50793 1 505 . 1 . 1 42 42 LYS HG2 H 1 1.546 0.01 . 2 . . . . . 42 K HG2 . 50793 1 506 . 1 . 1 42 42 LYS HG3 H 1 1.412 0.01 . 2 . . . . . 42 K HG3 . 50793 1 507 . 1 . 1 42 42 LYS HD2 H 1 1.698 0.01 . 1 . . . . . 42 K HD2 . 50793 1 508 . 1 . 1 42 42 LYS HD3 H 1 1.698 0.01 . 1 . . . . . 42 K HD3 . 50793 1 509 . 1 . 1 42 42 LYS HE2 H 1 3.024 0.01 . 1 . . . . . 42 K HE2 . 50793 1 510 . 1 . 1 42 42 LYS HE3 H 1 2.915 0.01 . 1 . . . . . 42 K HE3 . 50793 1 511 . 1 . 1 42 42 LYS C C 13 176.927 0.05 . 1 . . . . . 42 K C . 50793 1 512 . 1 . 1 42 42 LYS CA C 13 57.104 0.07 . 1 . . . . . 42 K CA . 50793 1 513 . 1 . 1 42 42 LYS CB C 13 34.576 0.07 . 1 . . . . . 42 K CB . 50793 1 514 . 1 . 1 42 42 LYS CG C 13 25.728 0.07 . 1 . . . . . 42 K CG . 50793 1 515 . 1 . 1 42 42 LYS CD C 13 29.051 0.07 . 1 . . . . . 42 K CD . 50793 1 516 . 1 . 1 42 42 LYS CE C 13 42.147 0.07 . 1 . . . . . 42 K CE . 50793 1 517 . 1 . 1 42 42 LYS N N 15 118.033 0.06 . 1 . . . . . 42 K N . 50793 1 518 . 1 . 1 43 43 GLU H H 1 8.428 0.01 . 1 . . . . . 43 E H . 50793 1 519 . 1 . 1 43 43 GLU HA H 1 5.127 0.01 . 1 . . . . . 43 E HA . 50793 1 520 . 1 . 1 43 43 GLU HB2 H 1 2.304 0.01 . 2 . . . . . 43 E HB2 . 50793 1 521 . 1 . 1 43 43 GLU HB3 H 1 1.798 0.01 . 2 . . . . . 43 E HB3 . 50793 1 522 . 1 . 1 43 43 GLU HG2 H 1 2.266 0.01 . 1 . . . . . 43 E HG2 . 50793 1 523 . 1 . 1 43 43 GLU HG3 H 1 2.266 0.01 . 1 . . . . . 43 E HG3 . 50793 1 524 . 1 . 1 43 43 GLU C C 13 173.710 0.05 . 1 . . . . . 43 E C . 50793 1 525 . 1 . 1 43 43 GLU CA C 13 53.467 0.07 . 1 . . . . . 43 E CA . 50793 1 526 . 1 . 1 43 43 GLU CB C 13 29.319 0.07 . 1 . . . . . 43 E CB . 50793 1 527 . 1 . 1 43 43 GLU CG C 13 36.554 0.07 . 1 . . . . . 43 E CG . 50793 1 528 . 1 . 1 43 43 GLU N N 15 116.308 0.06 . 1 . . . . . 43 E N . 50793 1 529 . 1 . 1 44 44 PRO HA H 1 4.258 0.01 . 1 . . . . . 44 P HA . 50793 1 530 . 1 . 1 44 44 PRO HB2 H 1 2.347 0.01 . 2 . . . . . 44 P HB2 . 50793 1 531 . 1 . 1 44 44 PRO HB3 H 1 2.094 0.01 . 2 . . . . . 44 P HB3 . 50793 1 532 . 1 . 1 44 44 PRO HG2 H 1 2.047 0.01 . 1 . . . . . 44 P HG2 . 50793 1 533 . 1 . 1 44 44 PRO HG3 H 1 2.047 0.01 . 1 . . . . . 44 P HG3 . 50793 1 534 . 1 . 1 44 44 PRO HD2 H 1 3.773 0.01 . 2 . . . . . 44 P HD2 . 50793 1 535 . 1 . 1 44 44 PRO HD3 H 1 3.270 0.01 . 2 . . . . . 44 P HD3 . 50793 1 536 . 1 . 1 44 44 PRO C C 13 179.834 0.05 . 1 . . . . . 44 P C . 50793 1 537 . 1 . 1 44 44 PRO CA C 13 65.362 0.07 . 1 . . . . . 44 P CA . 50793 1 538 . 1 . 1 44 44 PRO CB C 13 30.973 0.07 . 1 . . . . . 44 P CB . 50793 1 539 . 1 . 1 44 44 PRO CG C 13 27.153 0.07 . 1 . . . . . 44 P CG . 50793 1 540 . 1 . 1 44 44 PRO CD C 13 50.387 0.07 . 1 . . . . . 44 P CD . 50793 1 541 . 1 . 1 45 45 GLU H H 1 10.302 0.01 . 1 . . . . . 45 E H . 50793 1 542 . 1 . 1 45 45 GLU HA H 1 4.403 0.01 . 1 . . . . . 45 E HA . 50793 1 543 . 1 . 1 45 45 GLU HB2 H 1 2.254 0.01 . 2 . . . . . 45 E HB2 . 50793 1 544 . 1 . 1 45 45 GLU HB3 H 1 2.150 0.01 . 2 . . . . . 45 E HB3 . 50793 1 545 . 1 . 1 45 45 GLU HG2 H 1 2.500 0.01 . 2 . . . . . 45 E HG2 . 50793 1 546 . 1 . 1 45 45 GLU HG3 H 1 2.319 0.01 . 2 . . . . . 45 E HG3 . 50793 1 547 . 1 . 1 45 45 GLU C C 13 176.863 0.05 . 1 . . . . . 45 E C . 50793 1 548 . 1 . 1 45 45 GLU CA C 13 58.866 0.07 . 1 . . . . . 45 E CA . 50793 1 549 . 1 . 1 45 45 GLU CB C 13 28.464 0.07 . 1 . . . . . 45 E CB . 50793 1 550 . 1 . 1 45 45 GLU CG C 13 36.130 0.07 . 1 . . . . . 45 E CG . 50793 1 551 . 1 . 1 45 45 GLU N N 15 120.741 0.06 . 1 . . . . . 45 E N . 50793 1 552 . 1 . 1 46 46 LEU H H 1 7.767 0.01 . 1 . . . . . 46 L H . 50793 1 553 . 1 . 1 46 46 LEU HA H 1 4.629 0.01 . 1 . . . . . 46 L HA . 50793 1 554 . 1 . 1 46 46 LEU HB2 H 1 1.769 0.01 . 2 . . . . . 46 L HB2 . 50793 1 555 . 1 . 1 46 46 LEU HB3 H 1 1.473 0.01 . 2 . . . . . 46 L HB3 . 50793 1 556 . 1 . 1 46 46 LEU HG H 1 1.576 0.01 . 1 . . . . . 46 L HG . 50793 1 557 . 1 . 1 46 46 LEU HD11 H 1 0.880 0.01 . 2 . . . . . 46 L HD11 . 50793 1 558 . 1 . 1 46 46 LEU HD12 H 1 0.880 0.01 . 2 . . . . . 46 L HD12 . 50793 1 559 . 1 . 1 46 46 LEU HD13 H 1 0.880 0.01 . 2 . . . . . 46 L HD13 . 50793 1 560 . 1 . 1 46 46 LEU HD21 H 1 0.839 0.01 . 2 . . . . . 46 L HD21 . 50793 1 561 . 1 . 1 46 46 LEU HD22 H 1 0.839 0.01 . 2 . . . . . 46 L HD22 . 50793 1 562 . 1 . 1 46 46 LEU HD23 H 1 0.839 0.01 . 2 . . . . . 46 L HD23 . 50793 1 563 . 1 . 1 46 46 LEU C C 13 177.677 0.05 . 1 . . . . . 46 L C . 50793 1 564 . 1 . 1 46 46 LEU CA C 13 54.307 0.07 . 1 . . . . . 46 L CA . 50793 1 565 . 1 . 1 46 46 LEU CB C 13 43.323 0.07 . 1 . . . . . 46 L CB . 50793 1 566 . 1 . 1 46 46 LEU CG C 13 27.141 0.07 . 1 . . . . . 46 L CG . 50793 1 567 . 1 . 1 46 46 LEU CD1 C 13 25.987 0.07 . 2 . . . . . 46 L CD1 . 50793 1 568 . 1 . 1 46 46 LEU CD2 C 13 23.292 0.07 . 2 . . . . . 46 L CD2 . 50793 1 569 . 1 . 1 46 46 LEU N N 15 116.428 0.06 . 1 . . . . . 46 L N . 50793 1 570 . 1 . 1 47 47 MET H H 1 7.583 0.01 . 1 . . . . . 47 M H . 50793 1 571 . 1 . 1 47 47 MET HA H 1 4.423 0.01 . 1 . . . . . 47 M HA . 50793 1 572 . 1 . 1 47 47 MET HB2 H 1 2.400 0.01 . 2 . . . . . 47 M HB2 . 50793 1 573 . 1 . 1 47 47 MET HB3 H 1 2.091 0.01 . 2 . . . . . 47 M HB3 . 50793 1 574 . 1 . 1 47 47 MET HG2 H 1 3.020 0.01 . 2 . . . . . 47 M HG2 . 50793 1 575 . 1 . 1 47 47 MET HG3 H 1 2.584 0.01 . 2 . . . . . 47 M HG3 . 50793 1 576 . 1 . 1 47 47 MET HE1 H 1 1.953 0.01 . 1 . . . . . 47 M HE1 . 50793 1 577 . 1 . 1 47 47 MET HE2 H 1 1.953 0.01 . 1 . . . . . 47 M HE2 . 50793 1 578 . 1 . 1 47 47 MET HE3 H 1 1.953 0.01 . 1 . . . . . 47 M HE3 . 50793 1 579 . 1 . 1 47 47 MET C C 13 178.556 0.05 . 1 . . . . . 47 M C . 50793 1 580 . 1 . 1 47 47 MET CA C 13 56.617 0.07 . 1 . . . . . 47 M CA . 50793 1 581 . 1 . 1 47 47 MET CB C 13 29.812 0.07 . 1 . . . . . 47 M CB . 50793 1 582 . 1 . 1 47 47 MET CG C 13 32.732 0.07 . 1 . . . . . 47 M CG . 50793 1 583 . 1 . 1 47 47 MET CE C 13 15.785 0.07 . 1 . . . . . 47 M CE . 50793 1 584 . 1 . 1 47 47 MET N N 15 116.719 0.06 . 1 . . . . . 47 M N . 50793 1 585 . 1 . 1 48 48 TRP H H 1 8.438 0.01 . 1 . . . . . 48 W H . 50793 1 586 . 1 . 1 48 48 TRP HA H 1 4.335 0.01 . 1 . . . . . 48 W HA . 50793 1 587 . 1 . 1 48 48 TRP HB2 H 1 3.611 0.01 . 2 . . . . . 48 W HB2 . 50793 1 588 . 1 . 1 48 48 TRP HB3 H 1 3.198 0.01 . 2 . . . . . 48 W HB3 . 50793 1 589 . 1 . 1 48 48 TRP HD1 H 1 7.740 0.01 . 1 . . . . . 48 W HD1 . 50793 1 590 . 1 . 1 48 48 TRP HE1 H 1 10.479 0.01 . 1 . . . . . 48 W HE1 . 50793 1 591 . 1 . 1 48 48 TRP HE3 H 1 7.430 0.01 . 1 . . . . . 48 W HE3 . 50793 1 592 . 1 . 1 48 48 TRP HZ2 H 1 7.423 0.01 . 1 . . . . . 48 W HZ2 . 50793 1 593 . 1 . 1 48 48 TRP HZ3 H 1 7.276 0.01 . 1 . . . . . 48 W HZ3 . 50793 1 594 . 1 . 1 48 48 TRP HH2 H 1 7.228 0.01 . 1 . . . . . 48 W HH2 . 50793 1 595 . 1 . 1 48 48 TRP C C 13 178.363 0.05 . 1 . . . . . 48 W C . 50793 1 596 . 1 . 1 48 48 TRP CA C 13 59.376 0.07 . 1 . . . . . 48 W CA . 50793 1 597 . 1 . 1 48 48 TRP CB C 13 26.891 0.07 . 1 . . . . . 48 W CB . 50793 1 598 . 1 . 1 48 48 TRP N N 15 121.221 0.06 . 1 . . . . . 48 W N . 50793 1 599 . 1 . 1 48 48 TRP NE1 N 15 130.302 0.06 . 1 . . . . . 48 W NE1 . 50793 1 600 . 1 . 1 49 49 LEU H H 1 6.915 0.01 . 1 . . . . . 49 L H . 50793 1 601 . 1 . 1 49 49 LEU HA H 1 3.541 0.01 . 1 . . . . . 49 L HA . 50793 1 602 . 1 . 1 49 49 LEU HB2 H 1 1.551 0.01 . 2 . . . . . 49 L HB2 . 50793 1 603 . 1 . 1 49 49 LEU HB3 H 1 0.896 0.01 . 2 . . . . . 49 L HB3 . 50793 1 604 . 1 . 1 49 49 LEU HG H 1 -0.665 0.01 . 1 . . . . . 49 L HG . 50793 1 605 . 1 . 1 49 49 LEU HD11 H 1 0.468 0.01 . 2 . . . . . 49 L HD11 . 50793 1 606 . 1 . 1 49 49 LEU HD12 H 1 0.468 0.01 . 2 . . . . . 49 L HD12 . 50793 1 607 . 1 . 1 49 49 LEU HD13 H 1 0.468 0.01 . 2 . . . . . 49 L HD13 . 50793 1 608 . 1 . 1 49 49 LEU HD21 H 1 0.381 0.01 . 2 . . . . . 49 L HD21 . 50793 1 609 . 1 . 1 49 49 LEU HD22 H 1 0.381 0.01 . 2 . . . . . 49 L HD22 . 50793 1 610 . 1 . 1 49 49 LEU HD23 H 1 0.381 0.01 . 2 . . . . . 49 L HD23 . 50793 1 611 . 1 . 1 49 49 LEU C C 13 178.925 0.05 . 1 . . . . . 49 L C . 50793 1 612 . 1 . 1 49 49 LEU CA C 13 58.203 0.07 . 1 . . . . . 49 L CA . 50793 1 613 . 1 . 1 49 49 LEU CB C 13 42.821 0.07 . 1 . . . . . 49 L CB . 50793 1 614 . 1 . 1 49 49 LEU CG C 13 26.641 0.07 . 1 . . . . . 49 L CG . 50793 1 615 . 1 . 1 49 49 LEU CD1 C 13 26.272 0.07 . 2 . . . . . 49 L CD1 . 50793 1 616 . 1 . 1 49 49 LEU CD2 C 13 25.809 0.07 . 2 . . . . . 49 L CD2 . 50793 1 617 . 1 . 1 49 49 LEU N N 15 123.160 0.06 . 1 . . . . . 49 L N . 50793 1 618 . 1 . 1 50 50 ALA H H 1 6.893 0.01 . 1 . . . . . 50 A H . 50793 1 619 . 1 . 1 50 50 ALA HA H 1 4.189 0.01 . 1 . . . . . 50 A HA . 50793 1 620 . 1 . 1 50 50 ALA HB1 H 1 1.523 0.01 . 1 . . . . . 50 A HB1 . 50793 1 621 . 1 . 1 50 50 ALA HB2 H 1 1.523 0.01 . 1 . . . . . 50 A HB2 . 50793 1 622 . 1 . 1 50 50 ALA HB3 H 1 1.523 0.01 . 1 . . . . . 50 A HB3 . 50793 1 623 . 1 . 1 50 50 ALA C C 13 178.017 0.05 . 1 . . . . . 50 A C . 50793 1 624 . 1 . 1 50 50 ALA CA C 13 54.057 0.07 . 1 . . . . . 50 A CA . 50793 1 625 . 1 . 1 50 50 ALA CB C 13 18.793 0.07 . 1 . . . . . 50 A CB . 50793 1 626 . 1 . 1 50 50 ALA N N 15 119.990 0.06 . 1 . . . . . 50 A N . 50793 1 627 . 1 . 1 51 51 ARG H H 1 7.709 0.01 . 1 . . . . . 51 R H . 50793 1 628 . 1 . 1 51 51 ARG HA H 1 3.781 0.01 . 1 . . . . . 51 R HA . 50793 1 629 . 1 . 1 51 51 ARG HB2 H 1 1.916 0.01 . 2 . . . . . 51 R HB2 . 50793 1 630 . 1 . 1 51 51 ARG HB3 H 1 1.633 0.01 . 2 . . . . . 51 R HB3 . 50793 1 631 . 1 . 1 51 51 ARG C C 13 177.625 0.05 . 1 . . . . . 51 R C . 50793 1 632 . 1 . 1 51 51 ARG CA C 13 59.875 0.07 . 1 . . . . . 51 R CA . 50793 1 633 . 1 . 1 51 51 ARG CB C 13 29.675 0.07 . 1 . . . . . 51 R CB . 50793 1 634 . 1 . 1 51 51 ARG N N 15 114.963 0.06 . 1 . . . . . 51 R N . 50793 1 635 . 1 . 1 52 52 GLU H H 1 7.902 0.01 . 1 . . . . . 52 E H . 50793 1 636 . 1 . 1 52 52 GLU HA H 1 4.153 0.01 . 1 . . . . . 52 E HA . 50793 1 637 . 1 . 1 52 52 GLU HB2 H 1 2.347 0.01 . 2 . . . . . 52 E HB2 . 50793 1 638 . 1 . 1 52 52 GLU HB3 H 1 2.160 0.01 . 2 . . . . . 52 E HB3 . 50793 1 639 . 1 . 1 52 52 GLU HG2 H 1 2.598 0.01 . 2 . . . . . 52 E HG2 . 50793 1 640 . 1 . 1 52 52 GLU HG3 H 1 2.325 0.01 . 2 . . . . . 52 E HG3 . 50793 1 641 . 1 . 1 52 52 GLU C C 13 179.007 0.05 . 1 . . . . . 52 E C . 50793 1 642 . 1 . 1 52 52 GLU CA C 13 58.539 0.07 . 1 . . . . . 52 E CA . 50793 1 643 . 1 . 1 52 52 GLU CB C 13 31.086 0.07 . 1 . . . . . 52 E CB . 50793 1 644 . 1 . 1 52 52 GLU CG C 13 37.007 0.07 . 1 . . . . . 52 E CG . 50793 1 645 . 1 . 1 52 52 GLU N N 15 116.004 0.06 . 1 . . . . . 52 E N . 50793 1 646 . 1 . 1 53 53 GLY H H 1 8.143 0.01 . 1 . . . . . 53 G H . 50793 1 647 . 1 . 1 53 53 GLY HA2 H 1 2.479 0.01 . 2 . . . . . 53 G HA2 . 50793 1 648 . 1 . 1 53 53 GLY HA3 H 1 2.881 0.01 . 2 . . . . . 53 G HA3 . 50793 1 649 . 1 . 1 53 53 GLY C C 13 175.755 0.05 . 1 . . . . . 53 G C . 50793 1 650 . 1 . 1 53 53 GLY CA C 13 45.832 0.07 . 1 . . . . . 53 G CA . 50793 1 651 . 1 . 1 53 53 GLY N N 15 107.237 0.06 . 1 . . . . . 53 G N . 50793 1 652 . 1 . 1 54 54 ILE H H 1 7.268 0.01 . 1 . . . . . 54 I H . 50793 1 653 . 1 . 1 54 54 ILE HA H 1 2.604 0.01 . 1 . . . . . 54 I HA . 50793 1 654 . 1 . 1 54 54 ILE HB H 1 1.273 0.01 . 1 . . . . . 54 I HB . 50793 1 655 . 1 . 1 54 54 ILE HG12 H 1 1.060 0.01 . 2 . . . . . 54 I HG12 . 50793 1 656 . 1 . 1 54 54 ILE HG13 H 1 0.885 0.01 . 2 . . . . . 54 I HG13 . 50793 1 657 . 1 . 1 54 54 ILE HG21 H 1 0.823 0.01 . 1 . . . . . 54 I HG21 . 50793 1 658 . 1 . 1 54 54 ILE HG22 H 1 0.823 0.01 . 1 . . . . . 54 I HG22 . 50793 1 659 . 1 . 1 54 54 ILE HG23 H 1 0.823 0.01 . 1 . . . . . 54 I HG23 . 50793 1 660 . 1 . 1 54 54 ILE HD11 H 1 0.679 0.01 . 1 . . . . . 54 I HD11 . 50793 1 661 . 1 . 1 54 54 ILE HD12 H 1 0.679 0.01 . 1 . . . . . 54 I HD12 . 50793 1 662 . 1 . 1 54 54 ILE HD13 H 1 0.679 0.01 . 1 . . . . . 54 I HD13 . 50793 1 663 . 1 . 1 54 54 ILE C C 13 174.689 0.05 . 1 . . . . . 54 I C . 50793 1 664 . 1 . 1 54 54 ILE CA C 13 63.459 0.07 . 1 . . . . . 54 I CA . 50793 1 665 . 1 . 1 54 54 ILE CB C 13 37.370 0.07 . 1 . . . . . 54 I CB . 50793 1 666 . 1 . 1 54 54 ILE CG1 C 13 29.258 0.07 . 1 . . . . . 54 I CG1 . 50793 1 667 . 1 . 1 54 54 ILE CG2 C 13 17.294 0.07 . 1 . . . . . 54 I CG2 . 50793 1 668 . 1 . 1 54 54 ILE CD1 C 13 15.403 0.07 . 1 . . . . . 54 I CD1 . 50793 1 669 . 1 . 1 54 54 ILE N N 15 119.898 0.06 . 1 . . . . . 54 I N . 50793 1 670 . 1 . 1 55 55 VAL H H 1 6.302 0.01 . 1 . . . . . 55 V H . 50793 1 671 . 1 . 1 55 55 VAL HA H 1 4.516 0.01 . 1 . . . . . 55 V HA . 50793 1 672 . 1 . 1 55 55 VAL HB H 1 2.613 0.01 . 1 . . . . . 55 V HB . 50793 1 673 . 1 . 1 55 55 VAL HG11 H 1 0.899 0.01 . 2 . . . . . 55 V HG11 . 50793 1 674 . 1 . 1 55 55 VAL HG12 H 1 0.899 0.01 . 2 . . . . . 55 V HG12 . 50793 1 675 . 1 . 1 55 55 VAL HG13 H 1 0.899 0.01 . 2 . . . . . 55 V HG13 . 50793 1 676 . 1 . 1 55 55 VAL HG21 H 1 0.873 0.01 . 2 . . . . . 55 V HG21 . 50793 1 677 . 1 . 1 55 55 VAL HG22 H 1 0.873 0.01 . 2 . . . . . 55 V HG22 . 50793 1 678 . 1 . 1 55 55 VAL HG23 H 1 0.873 0.01 . 2 . . . . . 55 V HG23 . 50793 1 679 . 1 . 1 55 55 VAL C C 13 175.415 0.05 . 1 . . . . . 55 V C . 50793 1 680 . 1 . 1 55 55 VAL CA C 13 59.696 0.07 . 1 . . . . . 55 V CA . 50793 1 681 . 1 . 1 55 55 VAL CB C 13 31.294 0.07 . 1 . . . . . 55 V CB . 50793 1 682 . 1 . 1 55 55 VAL CG1 C 13 22.305 0.07 . 2 . . . . . 55 V CG1 . 50793 1 683 . 1 . 1 55 55 VAL CG2 C 13 17.988 0.07 . 2 . . . . . 55 V CG2 . 50793 1 684 . 1 . 1 55 55 VAL N N 15 108.348 0.06 . 1 . . . . . 55 V N . 50793 1 685 . 1 . 1 56 56 ALA H H 1 7.047 0.01 . 1 . . . . . 56 A H . 50793 1 686 . 1 . 1 56 56 ALA HA H 1 4.585 0.01 . 1 . . . . . 56 A HA . 50793 1 687 . 1 . 1 56 56 ALA HB1 H 1 1.562 0.01 . 1 . . . . . 56 A HB1 . 50793 1 688 . 1 . 1 56 56 ALA HB2 H 1 1.562 0.01 . 1 . . . . . 56 A HB2 . 50793 1 689 . 1 . 1 56 56 ALA HB3 H 1 1.562 0.01 . 1 . . . . . 56 A HB3 . 50793 1 690 . 1 . 1 56 56 ALA CA C 13 51.004 0.07 . 1 . . . . . 56 A CA . 50793 1 691 . 1 . 1 56 56 ALA CB C 13 18.244 0.07 . 1 . . . . . 56 A CB . 50793 1 692 . 1 . 1 56 56 ALA N N 15 127.733 0.06 . 1 . . . . . 56 A N . 50793 1 693 . 1 . 1 57 57 PRO HA H 1 4.480 0.01 . 1 . . . . . 57 P HA . 50793 1 694 . 1 . 1 57 57 PRO HB2 H 1 2.093 0.01 . 2 . . . . . 57 P HB2 . 50793 1 695 . 1 . 1 57 57 PRO HB3 H 1 1.887 0.01 . 2 . . . . . 57 P HB3 . 50793 1 696 . 1 . 1 57 57 PRO HD2 H 1 3.926 0.01 . 2 . . . . . 57 P HD2 . 50793 1 697 . 1 . 1 57 57 PRO HD3 H 1 3.753 0.01 . 2 . . . . . 57 P HD3 . 50793 1 698 . 1 . 1 57 57 PRO C C 13 176.406 0.05 . 1 . . . . . 57 P C . 50793 1 699 . 1 . 1 57 57 PRO CA C 13 61.998 0.07 . 1 . . . . . 57 P CA . 50793 1 700 . 1 . 1 57 57 PRO CB C 13 32.209 0.07 . 1 . . . . . 57 P CB . 50793 1 701 . 1 . 1 57 57 PRO CD C 13 50.599 0.07 . 1 . . . . . 57 P CD . 50793 1 702 . 1 . 1 58 58 LEU H H 1 8.674 0.01 . 1 . . . . . 58 L H . 50793 1 703 . 1 . 1 58 58 LEU HA H 1 4.401 0.01 . 1 . . . . . 58 L HA . 50793 1 704 . 1 . 1 58 58 LEU HB2 H 1 1.796 0.01 . 2 . . . . . 58 L HB2 . 50793 1 705 . 1 . 1 58 58 LEU HB3 H 1 1.652 0.01 . 2 . . . . . 58 L HB3 . 50793 1 706 . 1 . 1 58 58 LEU HG H 1 1.909 0.01 . 1 . . . . . 58 L HG . 50793 1 707 . 1 . 1 58 58 LEU HD11 H 1 0.850 0.01 . 2 . . . . . 58 L HD11 . 50793 1 708 . 1 . 1 58 58 LEU HD12 H 1 0.850 0.01 . 2 . . . . . 58 L HD12 . 50793 1 709 . 1 . 1 58 58 LEU HD13 H 1 0.850 0.01 . 2 . . . . . 58 L HD13 . 50793 1 710 . 1 . 1 58 58 LEU HD21 H 1 0.696 0.01 . 2 . . . . . 58 L HD21 . 50793 1 711 . 1 . 1 58 58 LEU HD22 H 1 0.696 0.01 . 2 . . . . . 58 L HD22 . 50793 1 712 . 1 . 1 58 58 LEU HD23 H 1 0.696 0.01 . 2 . . . . . 58 L HD23 . 50793 1 713 . 1 . 1 58 58 LEU C C 13 175.714 0.05 . 1 . . . . . 58 L C . 50793 1 714 . 1 . 1 58 58 LEU CA C 13 53.433 0.07 . 1 . . . . . 58 L CA . 50793 1 715 . 1 . 1 58 58 LEU CB C 13 41.762 0.07 . 1 . . . . . 58 L CB . 50793 1 716 . 1 . 1 58 58 LEU CG C 13 26.966 0.07 . 1 . . . . . 58 L CG . 50793 1 717 . 1 . 1 58 58 LEU CD1 C 13 25.655 0.07 . 2 . . . . . 58 L CD1 . 50793 1 718 . 1 . 1 58 58 LEU CD2 C 13 25.310 0.07 . 2 . . . . . 58 L CD2 . 50793 1 719 . 1 . 1 58 58 LEU N N 15 122.178 0.06 . 1 . . . . . 58 L N . 50793 1 720 . 1 . 1 59 59 PRO HA H 1 4.597 0.01 . 1 . . . . . 59 P HA . 50793 1 721 . 1 . 1 59 59 PRO HB2 H 1 2.468 0.01 . 2 . . . . . 59 P HB2 . 50793 1 722 . 1 . 1 59 59 PRO HB3 H 1 2.105 0.01 . 2 . . . . . 59 P HB3 . 50793 1 723 . 1 . 1 59 59 PRO HG2 H 1 2.090 0.01 . 2 . . . . . 59 P HG2 . 50793 1 724 . 1 . 1 59 59 PRO HG3 H 1 2.005 0.01 . 2 . . . . . 59 P HG3 . 50793 1 725 . 1 . 1 59 59 PRO HD2 H 1 4.190 0.01 . 2 . . . . . 59 P HD2 . 50793 1 726 . 1 . 1 59 59 PRO HD3 H 1 3.329 0.01 . 2 . . . . . 59 P HD3 . 50793 1 727 . 1 . 1 59 59 PRO C C 13 177.396 0.05 . 1 . . . . . 59 P C . 50793 1 728 . 1 . 1 59 59 PRO CA C 13 62.607 0.07 . 1 . . . . . 59 P CA . 50793 1 729 . 1 . 1 59 59 PRO CB C 13 32.461 0.07 . 1 . . . . . 59 P CB . 50793 1 730 . 1 . 1 59 59 PRO CG C 13 27.465 0.07 . 1 . . . . . 59 P CG . 50793 1 731 . 1 . 1 59 59 PRO CD C 13 50.886 0.07 . 1 . . . . . 59 P CD . 50793 1 732 . 1 . 1 60 60 GLY H H 1 8.518 0.01 . 1 . . . . . 60 G H . 50793 1 733 . 1 . 1 60 60 GLY HA2 H 1 3.912 0.01 . 2 . . . . . 60 G HA2 . 50793 1 734 . 1 . 1 60 60 GLY HA3 H 1 3.972 0.01 . 2 . . . . . 60 G HA3 . 50793 1 735 . 1 . 1 60 60 GLY C C 13 175.011 0.05 . 1 . . . . . 60 G C . 50793 1 736 . 1 . 1 60 60 GLY CA C 13 47.461 0.07 . 1 . . . . . 60 G CA . 50793 1 737 . 1 . 1 60 60 GLY N N 15 106.510 0.06 . 1 . . . . . 60 G N . 50793 1 738 . 1 . 1 61 61 GLU H H 1 9.030 0.01 . 1 . . . . . 61 E H . 50793 1 739 . 1 . 1 61 61 GLU HA H 1 4.362 0.01 . 1 . . . . . 61 E HA . 50793 1 740 . 1 . 1 61 61 GLU HB2 H 1 2.124 0.01 . 2 . . . . . 61 E HB2 . 50793 1 741 . 1 . 1 61 61 GLU HB3 H 1 1.703 0.01 . 2 . . . . . 61 E HB3 . 50793 1 742 . 1 . 1 61 61 GLU HG2 H 1 2.098 0.01 . 1 . . . . . 61 E HG2 . 50793 1 743 . 1 . 1 61 61 GLU HG3 H 1 2.053 0.01 . 1 . . . . . 61 E HG3 . 50793 1 744 . 1 . 1 61 61 GLU C C 13 176.001 0.05 . 1 . . . . . 61 E C . 50793 1 745 . 1 . 1 61 61 GLU CA C 13 56.842 0.07 . 1 . . . . . 61 E CA . 50793 1 746 . 1 . 1 61 61 GLU CB C 13 29.138 0.07 . 1 . . . . . 61 E CB . 50793 1 747 . 1 . 1 61 61 GLU CG C 13 36.229 0.07 . 1 . . . . . 61 E CG . 50793 1 748 . 1 . 1 61 61 GLU N N 15 121.107 0.06 . 1 . . . . . 61 E N . 50793 1 749 . 1 . 1 62 62 TRP H H 1 7.996 0.01 . 1 . . . . . 62 W H . 50793 1 750 . 1 . 1 62 62 TRP HA H 1 5.241 0.01 . 1 . . . . . 62 W HA . 50793 1 751 . 1 . 1 62 62 TRP HB2 H 1 3.276 0.01 . 2 . . . . . 62 W HB2 . 50793 1 752 . 1 . 1 62 62 TRP HB3 H 1 2.923 0.01 . 2 . . . . . 62 W HB3 . 50793 1 753 . 1 . 1 62 62 TRP HD1 H 1 7.233 0.01 . 1 . . . . . 62 W HD1 . 50793 1 754 . 1 . 1 62 62 TRP HE1 H 1 10.335 0.01 . 1 . . . . . 62 W HE1 . 50793 1 755 . 1 . 1 62 62 TRP HE3 H 1 7.313 0.01 . 1 . . . . . 62 W HE3 . 50793 1 756 . 1 . 1 62 62 TRP HZ2 H 1 7.539 0.01 . 1 . . . . . 62 W HZ2 . 50793 1 757 . 1 . 1 62 62 TRP HH2 H 1 6.979 0.01 . 1 . . . . . 62 W HH2 . 50793 1 758 . 1 . 1 62 62 TRP C C 13 176.277 0.05 . 1 . . . . . 62 W C . 50793 1 759 . 1 . 1 62 62 TRP CA C 13 57.155 0.07 . 1 . . . . . 62 W CA . 50793 1 760 . 1 . 1 62 62 TRP CB C 13 32.197 0.07 . 1 . . . . . 62 W CB . 50793 1 761 . 1 . 1 62 62 TRP N N 15 119.754 0.06 . 1 . . . . . 62 W N . 50793 1 762 . 1 . 1 62 62 TRP NE1 N 15 129.204 0.06 . 1 . . . . . 62 W NE1 . 50793 1 763 . 1 . 1 63 63 LYS H H 1 9.373 0.01 . 1 . . . . . 63 K H . 50793 1 764 . 1 . 1 63 63 LYS HA H 1 5.242 0.01 . 1 . . . . . 63 K HA . 50793 1 765 . 1 . 1 63 63 LYS HB2 H 1 2.083 0.01 . 2 . . . . . 63 K HB2 . 50793 1 766 . 1 . 1 63 63 LYS HB3 H 1 1.974 0.01 . 2 . . . . . 63 K HB3 . 50793 1 767 . 1 . 1 63 63 LYS HG2 H 1 1.634 0.01 . 1 . . . . . 63 K HG2 . 50793 1 768 . 1 . 1 63 63 LYS HG3 H 1 1.634 0.01 . 1 . . . . . 63 K HG3 . 50793 1 769 . 1 . 1 63 63 LYS HD2 H 1 1.890 0.01 . 2 . . . . . 63 K HD2 . 50793 1 770 . 1 . 1 63 63 LYS HD3 H 1 1.696 0.01 . 2 . . . . . 63 K HD3 . 50793 1 771 . 1 . 1 63 63 LYS HE2 H 1 2.973 0.01 . 1 . . . . . 63 K HE2 . 50793 1 772 . 1 . 1 63 63 LYS HE3 H 1 2.935 0.01 . 1 . . . . . 63 K HE3 . 50793 1 773 . 1 . 1 63 63 LYS C C 13 174.126 0.05 . 1 . . . . . 63 K C . 50793 1 774 . 1 . 1 63 63 LYS CA C 13 52.798 0.07 . 1 . . . . . 63 K CA . 50793 1 775 . 1 . 1 63 63 LYS CB C 13 35.992 0.07 . 1 . . . . . 63 K CB . 50793 1 776 . 1 . 1 63 63 LYS CG C 13 24.893 0.07 . 1 . . . . . 63 K CG . 50793 1 777 . 1 . 1 63 63 LYS CD C 13 28.988 0.07 . 1 . . . . . 63 K CD . 50793 1 778 . 1 . 1 63 63 LYS CE C 13 42.522 0.07 . 1 . . . . . 63 K CE . 50793 1 779 . 1 . 1 63 63 LYS N N 15 119.340 0.06 . 1 . . . . . 63 K N . 50793 1 780 . 1 . 1 64 64 PRO HA H 1 4.605 0.01 . 1 . . . . . 64 P HA . 50793 1 781 . 1 . 1 64 64 PRO HB2 H 1 1.968 0.01 . 2 . . . . . 64 P HB2 . 50793 1 782 . 1 . 1 64 64 PRO HB3 H 1 1.736 0.01 . 2 . . . . . 64 P HB3 . 50793 1 783 . 1 . 1 64 64 PRO HG2 H 1 2.255 0.01 . 2 . . . . . 64 P HG2 . 50793 1 784 . 1 . 1 64 64 PRO HG3 H 1 2.080 0.01 . 2 . . . . . 64 P HG3 . 50793 1 785 . 1 . 1 64 64 PRO HD2 H 1 3.894 0.01 . 1 . . . . . 64 P HD2 . 50793 1 786 . 1 . 1 64 64 PRO HD3 H 1 3.894 0.01 . 1 . . . . . 64 P HD3 . 50793 1 787 . 1 . 1 64 64 PRO C C 13 176.031 0.05 . 1 . . . . . 64 P C . 50793 1 788 . 1 . 1 64 64 PRO CA C 13 61.846 0.07 . 1 . . . . . 64 P CA . 50793 1 789 . 1 . 1 64 64 PRO CB C 13 31.423 0.07 . 1 . . . . . 64 P CB . 50793 1 790 . 1 . 1 64 64 PRO CG C 13 27.166 0.07 . 1 . . . . . 64 P CG . 50793 1 791 . 1 . 1 64 64 PRO CD C 13 50.724 0.07 . 1 . . . . . 64 P CD . 50793 1 792 . 1 . 1 65 65 CYS H H 1 8.922 0.01 . 1 . . . . . 65 C H . 50793 1 793 . 1 . 1 65 65 CYS HA H 1 4.709 0.01 . 1 . . . . . 65 C HA . 50793 1 794 . 1 . 1 65 65 CYS HB2 H 1 2.155 0.01 . 2 . . . . . 65 C HB2 . 50793 1 795 . 1 . 1 65 65 CYS HB3 H 1 1.204 0.01 . 2 . . . . . 65 C HB3 . 50793 1 796 . 1 . 1 65 65 CYS C C 13 171.718 0.05 . 1 . . . . . 65 C C . 50793 1 797 . 1 . 1 65 65 CYS CA C 13 57.094 0.07 . 1 . . . . . 65 C CA . 50793 1 798 . 1 . 1 65 65 CYS CB C 13 31.331 0.07 . 1 . . . . . 65 C CB . 50793 1 799 . 1 . 1 65 65 CYS N N 15 121.021 0.06 . 1 . . . . . 65 C N . 50793 1 800 . 1 . 1 66 66 GLN H H 1 8.467 0.01 . 1 . . . . . 66 Q H . 50793 1 801 . 1 . 1 66 66 GLN HA H 1 5.041 0.01 . 1 . . . . . 66 Q HA . 50793 1 802 . 1 . 1 66 66 GLN HB2 H 1 1.993 0.01 . 2 . . . . . 66 Q HB2 . 50793 1 803 . 1 . 1 66 66 GLN HB3 H 1 1.768 0.01 . 2 . . . . . 66 Q HB3 . 50793 1 804 . 1 . 1 66 66 GLN HG2 H 1 2.406 0.01 . 2 . . . . . 66 Q HG2 . 50793 1 805 . 1 . 1 66 66 GLN HG3 H 1 2.091 0.01 . 2 . . . . . 66 Q HG3 . 50793 1 806 . 1 . 1 66 66 GLN C C 13 176.453 0.05 . 1 . . . . . 66 Q C . 50793 1 807 . 1 . 1 66 66 GLN CA C 13 54.518 0.07 . 1 . . . . . 66 Q CA . 50793 1 808 . 1 . 1 66 66 GLN CB C 13 32.134 0.07 . 1 . . . . . 66 Q CB . 50793 1 809 . 1 . 1 66 66 GLN CG C 13 34.366 0.07 . 1 . . . . . 66 Q CG . 50793 1 810 . 1 . 1 66 66 GLN N N 15 119.248 0.06 . 1 . . . . . 66 Q N . 50793 1 811 . 1 . 1 67 67 ASP H H 1 9.270 0.01 . 1 . . . . . 67 D H . 50793 1 812 . 1 . 1 67 67 ASP HA H 1 5.036 0.01 . 1 . . . . . 67 D HA . 50793 1 813 . 1 . 1 67 67 ASP HB2 H 1 3.250 0.01 . 2 . . . . . 67 D HB2 . 50793 1 814 . 1 . 1 67 67 ASP HB3 H 1 2.920 0.01 . 2 . . . . . 67 D HB3 . 50793 1 815 . 1 . 1 67 67 ASP C C 13 178.433 0.05 . 1 . . . . . 67 D C . 50793 1 816 . 1 . 1 67 67 ASP CA C 13 53.146 0.07 . 1 . . . . . 67 D CA . 50793 1 817 . 1 . 1 67 67 ASP CB C 13 42.688 0.07 . 1 . . . . . 67 D CB . 50793 1 818 . 1 . 1 67 67 ASP N N 15 126.158 0.06 . 1 . . . . . 67 D N . 50793 1 819 . 1 . 1 68 68 ILE H H 1 8.542 0.01 . 1 . . . . . 68 I H . 50793 1 820 . 1 . 1 68 68 ILE HA H 1 4.165 0.01 . 1 . . . . . 68 I HA . 50793 1 821 . 1 . 1 68 68 ILE HB H 1 2.049 0.01 . 1 . . . . . 68 I HB . 50793 1 822 . 1 . 1 68 68 ILE HG12 H 1 1.535 0.01 . 2 . . . . . 68 I HG12 . 50793 1 823 . 1 . 1 68 68 ILE HG13 H 1 1.377 0.01 . 2 . . . . . 68 I HG13 . 50793 1 824 . 1 . 1 68 68 ILE HG21 H 1 1.073 0.01 . 1 . . . . . 68 I HG21 . 50793 1 825 . 1 . 1 68 68 ILE HG22 H 1 1.073 0.01 . 1 . . . . . 68 I HG22 . 50793 1 826 . 1 . 1 68 68 ILE HG23 H 1 1.073 0.01 . 1 . . . . . 68 I HG23 . 50793 1 827 . 1 . 1 68 68 ILE HD11 H 1 0.971 0.01 . 1 . . . . . 68 I HD11 . 50793 1 828 . 1 . 1 68 68 ILE HD12 H 1 0.971 0.01 . 1 . . . . . 68 I HD12 . 50793 1 829 . 1 . 1 68 68 ILE HD13 H 1 0.971 0.01 . 1 . . . . . 68 I HD13 . 50793 1 830 . 1 . 1 68 68 ILE C C 13 176.845 0.05 . 1 . . . . . 68 I C . 50793 1 831 . 1 . 1 68 68 ILE CA C 13 63.771 0.07 . 1 . . . . . 68 I CA . 50793 1 832 . 1 . 1 68 68 ILE CB C 13 38.539 0.07 . 1 . . . . . 68 I CB . 50793 1 833 . 1 . 1 68 68 ILE CG1 C 13 27.981 0.07 . 1 . . . . . 68 I CG1 . 50793 1 834 . 1 . 1 68 68 ILE CG2 C 13 17.929 0.07 . 1 . . . . . 68 I CG2 . 50793 1 835 . 1 . 1 68 68 ILE CD1 C 13 13.969 0.07 . 1 . . . . . 68 I CD1 . 50793 1 836 . 1 . 1 68 68 ILE N N 15 119.574 0.06 . 1 . . . . . 68 I N . 50793 1 837 . 1 . 1 69 69 THR H H 1 7.930 0.01 . 1 . . . . . 69 T H . 50793 1 838 . 1 . 1 69 69 THR HA H 1 4.352 0.01 . 1 . . . . . 69 T HA . 50793 1 839 . 1 . 1 69 69 THR HB H 1 4.489 0.01 . 1 . . . . . 69 T HB . 50793 1 840 . 1 . 1 69 69 THR HG21 H 1 1.315 0.01 . 1 . . . . . 69 T HG21 . 50793 1 841 . 1 . 1 69 69 THR HG22 H 1 1.315 0.01 . 1 . . . . . 69 T HG22 . 50793 1 842 . 1 . 1 69 69 THR HG23 H 1 1.315 0.01 . 1 . . . . . 69 T HG23 . 50793 1 843 . 1 . 1 69 69 THR C C 13 175.650 0.05 . 1 . . . . . 69 T C . 50793 1 844 . 1 . 1 69 69 THR CA C 13 62.310 0.07 . 1 . . . . . 69 T CA . 50793 1 845 . 1 . 1 69 69 THR CB C 13 70.213 0.07 . 1 . . . . . 69 T CB . 50793 1 846 . 1 . 1 69 69 THR CG2 C 13 22.388 0.07 . 1 . . . . . 69 T CG2 . 50793 1 847 . 1 . 1 69 69 THR N N 15 111.489 0.06 . 1 . . . . . 69 T N . 50793 1 848 . 1 . 1 70 70 GLY H H 1 8.252 0.01 . 1 . . . . . 70 G H . 50793 1 849 . 1 . 1 70 70 GLY HA2 H 1 3.624 0.01 . 2 . . . . . 70 G HA2 . 50793 1 850 . 1 . 1 70 70 GLY HA3 H 1 4.540 0.01 . 2 . . . . . 70 G HA3 . 50793 1 851 . 1 . 1 70 70 GLY C C 13 173.933 0.05 . 1 . . . . . 70 G C . 50793 1 852 . 1 . 1 70 70 GLY CA C 13 44.854 0.07 . 1 . . . . . 70 G CA . 50793 1 853 . 1 . 1 70 70 GLY N N 15 110.093 0.06 . 1 . . . . . 70 G N . 50793 1 854 . 1 . 1 71 71 ASP H H 1 7.912 0.01 . 1 . . . . . 71 D H . 50793 1 855 . 1 . 1 71 71 ASP HA H 1 4.789 0.01 . 1 . . . . . 71 D HA . 50793 1 856 . 1 . 1 71 71 ASP HB2 H 1 2.929 0.01 . 2 . . . . . 71 D HB2 . 50793 1 857 . 1 . 1 71 71 ASP HB3 H 1 2.776 0.01 . 2 . . . . . 71 D HB3 . 50793 1 858 . 1 . 1 71 71 ASP C C 13 174.876 0.05 . 1 . . . . . 71 D C . 50793 1 859 . 1 . 1 71 71 ASP CA C 13 54.807 0.07 . 1 . . . . . 71 D CA . 50793 1 860 . 1 . 1 71 71 ASP CB C 13 42.010 0.07 . 1 . . . . . 71 D CB . 50793 1 861 . 1 . 1 71 71 ASP N N 15 122.309 0.06 . 1 . . . . . 71 D N . 50793 1 862 . 1 . 1 72 72 ILE H H 1 8.437 0.01 . 1 . . . . . 72 I H . 50793 1 863 . 1 . 1 72 72 ILE HA H 1 4.883 0.01 . 1 . . . . . 72 I HA . 50793 1 864 . 1 . 1 72 72 ILE HB H 1 1.790 0.01 . 1 . . . . . 72 I HB . 50793 1 865 . 1 . 1 72 72 ILE HG12 H 1 1.578 0.01 . 2 . . . . . 72 I HG12 . 50793 1 866 . 1 . 1 72 72 ILE HG13 H 1 1.203 0.01 . 2 . . . . . 72 I HG13 . 50793 1 867 . 1 . 1 72 72 ILE HG21 H 1 0.600 0.01 . 1 . . . . . 72 I HG21 . 50793 1 868 . 1 . 1 72 72 ILE HG22 H 1 0.600 0.01 . 1 . . . . . 72 I HG22 . 50793 1 869 . 1 . 1 72 72 ILE HG23 H 1 0.600 0.01 . 1 . . . . . 72 I HG23 . 50793 1 870 . 1 . 1 72 72 ILE HD11 H 1 0.776 0.01 . 1 . . . . . 72 I HD11 . 50793 1 871 . 1 . 1 72 72 ILE HD12 H 1 0.776 0.01 . 1 . . . . . 72 I HD12 . 50793 1 872 . 1 . 1 72 72 ILE HD13 H 1 0.776 0.01 . 1 . . . . . 72 I HD13 . 50793 1 873 . 1 . 1 72 72 ILE C C 13 175.310 0.05 . 1 . . . . . 72 I C . 50793 1 874 . 1 . 1 72 72 ILE CA C 13 59.850 0.07 . 1 . . . . . 72 I CA . 50793 1 875 . 1 . 1 72 72 ILE CB C 13 38.926 0.07 . 1 . . . . . 72 I CB . 50793 1 876 . 1 . 1 72 72 ILE CG1 C 13 28.064 0.07 . 1 . . . . . 72 I CG1 . 50793 1 877 . 1 . 1 72 72 ILE CG2 C 13 17.077 0.07 . 1 . . . . . 72 I CG2 . 50793 1 878 . 1 . 1 72 72 ILE CD1 C 13 12.359 0.07 . 1 . . . . . 72 I CD1 . 50793 1 879 . 1 . 1 72 72 ILE N N 15 121.810 0.06 . 1 . . . . . 72 I N . 50793 1 880 . 1 . 1 73 73 TYR H H 1 8.460 0.01 . 1 . . . . . 73 Y H . 50793 1 881 . 1 . 1 73 73 TYR HA H 1 4.568 0.01 . 1 . . . . . 73 Y HA . 50793 1 882 . 1 . 1 73 73 TYR HB2 H 1 2.143 0.01 . 2 . . . . . 73 Y HB2 . 50793 1 883 . 1 . 1 73 73 TYR HB3 H 1 1.849 0.01 . 2 . . . . . 73 Y HB3 . 50793 1 884 . 1 . 1 73 73 TYR HD1 H 1 6.705 0.01 . 3 . . . . . 73 Y HD1 . 50793 1 885 . 1 . 1 73 73 TYR HD2 H 1 6.705 0.01 . 3 . . . . . 73 Y HD2 . 50793 1 886 . 1 . 1 73 73 TYR HE1 H 1 6.449 0.01 . 3 . . . . . 73 Y HE1 . 50793 1 887 . 1 . 1 73 73 TYR HE2 H 1 6.449 0.01 . 3 . . . . . 73 Y HE2 . 50793 1 888 . 1 . 1 73 73 TYR C C 13 171.015 0.05 . 1 . . . . . 73 Y C . 50793 1 889 . 1 . 1 73 73 TYR CA C 13 54.732 0.07 . 1 . . . . . 73 Y CA . 50793 1 890 . 1 . 1 73 73 TYR CB C 13 38.589 0.07 . 1 . . . . . 73 Y CB . 50793 1 891 . 1 . 1 73 73 TYR N N 15 123.893 0.06 . 1 . . . . . 73 Y N . 50793 1 892 . 1 . 1 74 74 TYR H H 1 8.919 0.01 . 1 . . . . . 74 Y H . 50793 1 893 . 1 . 1 74 74 TYR HA H 1 5.130 0.01 . 1 . . . . . 74 Y HA . 50793 1 894 . 1 . 1 74 74 TYR HB2 H 1 2.798 0.01 . 2 . . . . . 74 Y HB2 . 50793 1 895 . 1 . 1 74 74 TYR HB3 H 1 2.661 0.01 . 2 . . . . . 74 Y HB3 . 50793 1 896 . 1 . 1 74 74 TYR HD1 H 1 6.646 0.01 . 3 . . . . . 74 Y HD1 . 50793 1 897 . 1 . 1 74 74 TYR HD2 H 1 6.646 0.01 . 3 . . . . . 74 Y HD2 . 50793 1 898 . 1 . 1 74 74 TYR HE1 H 1 6.654 0.01 . 3 . . . . . 74 Y HE1 . 50793 1 899 . 1 . 1 74 74 TYR HE2 H 1 6.654 0.01 . 3 . . . . . 74 Y HE2 . 50793 1 900 . 1 . 1 74 74 TYR C C 13 174.372 0.05 . 1 . . . . . 74 Y C . 50793 1 901 . 1 . 1 74 74 TYR CA C 13 57.368 0.07 . 1 . . . . . 74 Y CA . 50793 1 902 . 1 . 1 74 74 TYR CB C 13 41.436 0.07 . 1 . . . . . 74 Y CB . 50793 1 903 . 1 . 1 74 74 TYR N N 15 117.054 0.06 . 1 . . . . . 74 Y N . 50793 1 904 . 1 . 1 75 75 PHE H H 1 9.305 0.01 . 1 . . . . . 75 F H . 50793 1 905 . 1 . 1 75 75 PHE HA H 1 5.381 0.01 . 1 . . . . . 75 F HA . 50793 1 906 . 1 . 1 75 75 PHE HB2 H 1 2.898 0.01 . 2 . . . . . 75 F HB2 . 50793 1 907 . 1 . 1 75 75 PHE HB3 H 1 2.785 0.01 . 2 . . . . . 75 F HB3 . 50793 1 908 . 1 . 1 75 75 PHE HD1 H 1 6.465 0.01 . 3 . . . . . 75 F HD1 . 50793 1 909 . 1 . 1 75 75 PHE HD2 H 1 6.465 0.01 . 3 . . . . . 75 F HD2 . 50793 1 910 . 1 . 1 75 75 PHE HE1 H 1 6.975 0.01 . 3 . . . . . 75 F HE1 . 50793 1 911 . 1 . 1 75 75 PHE HE2 H 1 6.975 0.01 . 3 . . . . . 75 F HE2 . 50793 1 912 . 1 . 1 75 75 PHE HZ H 1 7.133 0.01 . 1 . . . . . 75 F HZ . 50793 1 913 . 1 . 1 75 75 PHE C C 13 173.072 0.05 . 1 . . . . . 75 F C . 50793 1 914 . 1 . 1 75 75 PHE CA C 13 56.603 0.07 . 1 . . . . . 75 F CA . 50793 1 915 . 1 . 1 75 75 PHE CB C 13 45.306 0.07 . 1 . . . . . 75 F CB . 50793 1 916 . 1 . 1 75 75 PHE N N 15 124.884 0.06 . 1 . . . . . 75 F N . 50793 1 917 . 1 . 1 76 76 ASN H H 1 8.131 0.01 . 1 . . . . . 76 N H . 50793 1 918 . 1 . 1 76 76 ASN HA H 1 4.224 0.01 . 1 . . . . . 76 N HA . 50793 1 919 . 1 . 1 76 76 ASN HB2 H 1 2.455 0.01 . 2 . . . . . 76 N HB2 . 50793 1 920 . 1 . 1 76 76 ASN HB3 H 1 -0.454 0.01 . 2 . . . . . 76 N HB3 . 50793 1 921 . 1 . 1 76 76 ASN C C 13 174.830 0.05 . 1 . . . . . 76 N C . 50793 1 922 . 1 . 1 76 76 ASN CA C 13 50.674 0.07 . 1 . . . . . 76 N CA . 50793 1 923 . 1 . 1 76 76 ASN CB C 13 36.429 0.07 . 1 . . . . . 76 N CB . 50793 1 924 . 1 . 1 76 76 ASN N N 15 127.708 0.06 . 1 . . . . . 76 N N . 50793 1 925 . 1 . 1 77 77 PHE H H 1 8.263 0.01 . 1 . . . . . 77 F H . 50793 1 926 . 1 . 1 77 77 PHE HA H 1 4.031 0.01 . 1 . . . . . 77 F HA . 50793 1 927 . 1 . 1 77 77 PHE HB2 H 1 3.216 0.01 . 2 . . . . . 77 F HB2 . 50793 1 928 . 1 . 1 77 77 PHE HB3 H 1 3.133 0.01 . 2 . . . . . 77 F HB3 . 50793 1 929 . 1 . 1 77 77 PHE HD1 H 1 7.508 0.01 . 3 . . . . . 77 F HD1 . 50793 1 930 . 1 . 1 77 77 PHE HD2 H 1 7.508 0.01 . 3 . . . . . 77 F HD2 . 50793 1 931 . 1 . 1 77 77 PHE HE1 H 1 7.348 0.01 . 3 . . . . . 77 F HE1 . 50793 1 932 . 1 . 1 77 77 PHE HE2 H 1 7.348 0.01 . 3 . . . . . 77 F HE2 . 50793 1 933 . 1 . 1 77 77 PHE HZ H 1 7.226 0.01 . 1 . . . . . 77 F HZ . 50793 1 934 . 1 . 1 77 77 PHE C C 13 176.535 0.05 . 1 . . . . . 77 F C . 50793 1 935 . 1 . 1 77 77 PHE CA C 13 60.799 0.07 . 1 . . . . . 77 F CA . 50793 1 936 . 1 . 1 77 77 PHE CB C 13 39.033 0.07 . 1 . . . . . 77 F CB . 50793 1 937 . 1 . 1 77 77 PHE N N 15 122.449 0.06 . 1 . . . . . 77 F N . 50793 1 938 . 1 . 1 78 78 ALA H H 1 8.113 0.01 . 1 . . . . . 78 A H . 50793 1 939 . 1 . 1 78 78 ALA HA H 1 4.234 0.01 . 1 . . . . . 78 A HA . 50793 1 940 . 1 . 1 78 78 ALA HB1 H 1 1.284 0.01 . 1 . . . . . 78 A HB1 . 50793 1 941 . 1 . 1 78 78 ALA HB2 H 1 1.284 0.01 . 1 . . . . . 78 A HB2 . 50793 1 942 . 1 . 1 78 78 ALA HB3 H 1 1.284 0.01 . 1 . . . . . 78 A HB3 . 50793 1 943 . 1 . 1 78 78 ALA C C 13 178.908 0.05 . 1 . . . . . 78 A C . 50793 1 944 . 1 . 1 78 78 ALA CA C 13 54.045 0.07 . 1 . . . . . 78 A CA . 50793 1 945 . 1 . 1 78 78 ALA CB C 13 18.656 0.07 . 1 . . . . . 78 A CB . 50793 1 946 . 1 . 1 78 78 ALA N N 15 121.297 0.06 . 1 . . . . . 78 A N . 50793 1 947 . 1 . 1 79 79 ASN H H 1 6.967 0.01 . 1 . . . . . 79 N H . 50793 1 948 . 1 . 1 79 79 ASN HA H 1 4.711 0.01 . 1 . . . . . 79 N HA . 50793 1 949 . 1 . 1 79 79 ASN HB2 H 1 3.007 0.01 . 2 . . . . . 79 N HB2 . 50793 1 950 . 1 . 1 79 79 ASN HB3 H 1 2.489 0.01 . 2 . . . . . 79 N HB3 . 50793 1 951 . 1 . 1 79 79 ASN C C 13 176.828 0.05 . 1 . . . . . 79 N C . 50793 1 952 . 1 . 1 79 79 ASN CA C 13 51.873 0.07 . 1 . . . . . 79 N CA . 50793 1 953 . 1 . 1 79 79 ASN CB C 13 39.151 0.07 . 1 . . . . . 79 N CB . 50793 1 954 . 1 . 1 79 79 ASN N N 15 111.755 0.06 . 1 . . . . . 79 N N . 50793 1 955 . 1 . 1 80 80 GLY H H 1 8.235 0.01 . 1 . . . . . 80 G H . 50793 1 956 . 1 . 1 80 80 GLY HA2 H 1 3.482 0.01 . 2 . . . . . 80 G HA2 . 50793 1 957 . 1 . 1 80 80 GLY HA3 H 1 3.940 0.01 . 2 . . . . . 80 G HA3 . 50793 1 958 . 1 . 1 80 80 GLY C C 13 173.939 0.05 . 1 . . . . . 80 G C . 50793 1 959 . 1 . 1 80 80 GLY CA C 13 46.092 0.07 . 1 . . . . . 80 G CA . 50793 1 960 . 1 . 1 80 80 GLY N N 15 110.079 0.06 . 1 . . . . . 80 G N . 50793 1 961 . 1 . 1 81 81 GLN H H 1 7.651 0.01 . 1 . . . . . 81 Q H . 50793 1 962 . 1 . 1 81 81 GLN HA H 1 4.274 0.01 . 1 . . . . . 81 Q HA . 50793 1 963 . 1 . 1 81 81 GLN HB2 H 1 2.086 0.01 . 2 . . . . . 81 Q HB2 . 50793 1 964 . 1 . 1 81 81 GLN HB3 H 1 1.887 0.01 . 2 . . . . . 81 Q HB3 . 50793 1 965 . 1 . 1 81 81 GLN HG2 H 1 2.296 0.01 . 1 . . . . . 81 Q HG2 . 50793 1 966 . 1 . 1 81 81 GLN HG3 H 1 2.296 0.01 . 1 . . . . . 81 Q HG3 . 50793 1 967 . 1 . 1 81 81 GLN C C 13 173.675 0.05 . 1 . . . . . 81 Q C . 50793 1 968 . 1 . 1 81 81 GLN CA C 13 55.905 0.07 . 1 . . . . . 81 Q CA . 50793 1 969 . 1 . 1 81 81 GLN CB C 13 29.975 0.07 . 1 . . . . . 81 Q CB . 50793 1 970 . 1 . 1 81 81 GLN CG C 13 34.182 0.07 . 1 . . . . . 81 Q CG . 50793 1 971 . 1 . 1 81 81 GLN N N 15 119.758 0.06 . 1 . . . . . 81 Q N . 50793 1 972 . 1 . 1 82 82 SER H H 1 8.366 0.01 . 1 . . . . . 82 S H . 50793 1 973 . 1 . 1 82 82 SER HA H 1 5.970 0.01 . 1 . . . . . 82 S HA . 50793 1 974 . 1 . 1 82 82 SER HB2 H 1 3.862 0.01 . 2 . . . . . 82 S HB2 . 50793 1 975 . 1 . 1 82 82 SER HB3 H 1 3.825 0.01 . 2 . . . . . 82 S HB3 . 50793 1 976 . 1 . 1 82 82 SER C C 13 174.150 0.05 . 1 . . . . . 82 S C . 50793 1 977 . 1 . 1 82 82 SER CA C 13 56.966 0.07 . 1 . . . . . 82 S CA . 50793 1 978 . 1 . 1 82 82 SER CB C 13 66.917 0.07 . 1 . . . . . 82 S CB . 50793 1 979 . 1 . 1 82 82 SER N N 15 113.440 0.06 . 1 . . . . . 82 S N . 50793 1 980 . 1 . 1 83 83 MET H H 1 9.489 0.01 . 1 . . . . . 83 M H . 50793 1 981 . 1 . 1 83 83 MET HA H 1 4.905 0.01 . 1 . . . . . 83 M HA . 50793 1 982 . 1 . 1 83 83 MET HB2 H 1 2.342 0.01 . 2 . . . . . 83 M HB2 . 50793 1 983 . 1 . 1 83 83 MET HB3 H 1 2.195 0.01 . 2 . . . . . 83 M HB3 . 50793 1 984 . 1 . 1 83 83 MET HG2 H 1 2.840 0.01 . 2 . . . . . 83 M HG2 . 50793 1 985 . 1 . 1 83 83 MET HG3 H 1 2.455 0.01 . 2 . . . . . 83 M HG3 . 50793 1 986 . 1 . 1 83 83 MET HE1 H 1 1.736 0.01 . 1 . . . . . 83 M HE1 . 50793 1 987 . 1 . 1 83 83 MET HE2 H 1 1.736 0.01 . 1 . . . . . 83 M HE2 . 50793 1 988 . 1 . 1 83 83 MET HE3 H 1 1.736 0.01 . 1 . . . . . 83 M HE3 . 50793 1 989 . 1 . 1 83 83 MET C C 13 174.167 0.05 . 1 . . . . . 83 M C . 50793 1 990 . 1 . 1 83 83 MET CA C 13 55.905 0.07 . 1 . . . . . 83 M CA . 50793 1 991 . 1 . 1 83 83 MET CB C 13 36.941 0.07 . 1 . . . . . 83 M CB . 50793 1 992 . 1 . 1 83 83 MET CG C 13 29.744 0.07 . 1 . . . . . 83 M CG . 50793 1 993 . 1 . 1 83 83 MET CE C 13 15.895 0.07 . 1 . . . . . 83 M CE . 50793 1 994 . 1 . 1 83 83 MET N N 15 119.216 0.06 . 1 . . . . . 83 M N . 50793 1 995 . 1 . 1 84 84 TRP H H 1 9.045 0.01 . 1 . . . . . 84 W H . 50793 1 996 . 1 . 1 84 84 TRP HA H 1 4.833 0.01 . 1 . . . . . 84 W HA . 50793 1 997 . 1 . 1 84 84 TRP HB2 H 1 3.672 0.01 . 2 . . . . . 84 W HB2 . 50793 1 998 . 1 . 1 84 84 TRP HB3 H 1 3.147 0.01 . 2 . . . . . 84 W HB3 . 50793 1 999 . 1 . 1 84 84 TRP HD1 H 1 7.414 0.01 . 1 . . . . . 84 W HD1 . 50793 1 1000 . 1 . 1 84 84 TRP HE1 H 1 10.153 0.01 . 1 . . . . . 84 W HE1 . 50793 1 1001 . 1 . 1 84 84 TRP HE3 H 1 7.952 0.01 . 1 . . . . . 84 W HE3 . 50793 1 1002 . 1 . 1 84 84 TRP HZ2 H 1 7.272 0.01 . 1 . . . . . 84 W HZ2 . 50793 1 1003 . 1 . 1 84 84 TRP HZ3 H 1 7.007 0.01 . 1 . . . . . 84 W HZ3 . 50793 1 1004 . 1 . 1 84 84 TRP HH2 H 1 7.154 0.01 . 1 . . . . . 84 W HH2 . 50793 1 1005 . 1 . 1 84 84 TRP C C 13 176.500 0.05 . 1 . . . . . 84 W C . 50793 1 1006 . 1 . 1 84 84 TRP CA C 13 59.476 0.07 . 1 . . . . . 84 W CA . 50793 1 1007 . 1 . 1 84 84 TRP CB C 13 30.340 0.07 . 1 . . . . . 84 W CB . 50793 1 1008 . 1 . 1 84 84 TRP N N 15 122.003 0.06 . 1 . . . . . 84 W N . 50793 1 1009 . 1 . 1 84 84 TRP NE1 N 15 129.059 0.06 . 1 . . . . . 84 W NE1 . 50793 1 1010 . 1 . 1 85 85 ASP H H 1 7.423 0.01 . 1 . . . . . 85 D H . 50793 1 1011 . 1 . 1 85 85 ASP HA H 1 4.839 0.01 . 1 . . . . . 85 D HA . 50793 1 1012 . 1 . 1 85 85 ASP HB2 H 1 2.726 0.01 . 2 . . . . . 85 D HB2 . 50793 1 1013 . 1 . 1 85 85 ASP HB3 H 1 2.445 0.01 . 2 . . . . . 85 D HB3 . 50793 1 1014 . 1 . 1 85 85 ASP C C 13 172.960 0.05 . 1 . . . . . 85 D C . 50793 1 1015 . 1 . 1 85 85 ASP CA C 13 53.421 0.07 . 1 . . . . . 85 D CA . 50793 1 1016 . 1 . 1 85 85 ASP CB C 13 42.666 0.07 . 1 . . . . . 85 D CB . 50793 1 1017 . 1 . 1 85 85 ASP N N 15 118.259 0.06 . 1 . . . . . 85 D N . 50793 1 1018 . 1 . 1 86 86 HIS H H 1 8.568 0.01 . 1 . . . . . 86 H H . 50793 1 1019 . 1 . 1 86 86 HIS HA H 1 3.444 0.01 . 1 . . . . . 86 H HA . 50793 1 1020 . 1 . 1 86 86 HIS HB2 H 1 2.889 0.01 . 1 . . . . . 86 H HB2 . 50793 1 1021 . 1 . 1 86 86 HIS HB3 H 1 2.889 0.01 . 1 . . . . . 86 H HB3 . 50793 1 1022 . 1 . 1 86 86 HIS HD2 H 1 7.141 0.01 . 1 . . . . . 86 H HD2 . 50793 1 1023 . 1 . 1 86 86 HIS C C 13 176.617 0.05 . 1 . . . . . 86 H C . 50793 1 1024 . 1 . 1 86 86 HIS CA C 13 55.893 0.07 . 1 . . . . . 86 H CA . 50793 1 1025 . 1 . 1 86 86 HIS CB C 13 31.585 0.07 . 1 . . . . . 86 H CB . 50793 1 1026 . 1 . 1 86 86 HIS N N 15 120.331 0.06 . 1 . . . . . 86 H N . 50793 1 1027 . 1 . 1 87 87 PRO HA H 1 3.731 0.01 . 1 . . . . . 87 P HA . 50793 1 1028 . 1 . 1 87 87 PRO HB2 H 1 1.087 0.01 . 2 . . . . . 87 P HB2 . 50793 1 1029 . 1 . 1 87 87 PRO HB3 H 1 0.901 0.01 . 2 . . . . . 87 P HB3 . 50793 1 1030 . 1 . 1 87 87 PRO HG2 H 1 0.551 0.01 . 2 . . . . . 87 P HG2 . 50793 1 1031 . 1 . 1 87 87 PRO HG3 H 1 0.450 0.01 . 2 . . . . . 87 P HG3 . 50793 1 1032 . 1 . 1 87 87 PRO HD2 H 1 2.558 0.01 . 2 . . . . . 87 P HD2 . 50793 1 1033 . 1 . 1 87 87 PRO HD3 H 1 1.468 0.01 . 2 . . . . . 87 P HD3 . 50793 1 1034 . 1 . 1 87 87 PRO C C 13 179.763 0.05 . 1 . . . . . 87 P C . 50793 1 1035 . 1 . 1 87 87 PRO CA C 13 64.857 0.07 . 1 . . . . . 87 P CA . 50793 1 1036 . 1 . 1 87 87 PRO CB C 13 32.233 0.07 . 1 . . . . . 87 P CB . 50793 1 1037 . 1 . 1 87 87 PRO CG C 13 26.566 0.07 . 1 . . . . . 87 P CG . 50793 1 1038 . 1 . 1 87 87 PRO CD C 13 49.625 0.07 . 1 . . . . . 87 P CD . 50793 1 1039 . 1 . 1 88 88 CYS H H 1 10.785 0.01 . 1 . . . . . 88 C H . 50793 1 1040 . 1 . 1 88 88 CYS HA H 1 4.499 0.01 . 1 . . . . . 88 C HA . 50793 1 1041 . 1 . 1 88 88 CYS HB2 H 1 3.328 0.01 . 2 . . . . . 88 C HB2 . 50793 1 1042 . 1 . 1 88 88 CYS HB3 H 1 3.234 0.01 . 2 . . . . . 88 C HB3 . 50793 1 1043 . 1 . 1 88 88 CYS C C 13 176.365 0.05 . 1 . . . . . 88 C C . 50793 1 1044 . 1 . 1 88 88 CYS CA C 13 60.702 0.07 . 1 . . . . . 88 C CA . 50793 1 1045 . 1 . 1 88 88 CYS CB C 13 27.160 0.07 . 1 . . . . . 88 C CB . 50793 1 1046 . 1 . 1 88 88 CYS N N 15 118.583 0.06 . 1 . . . . . 88 C N . 50793 1 1047 . 1 . 1 89 89 ASP H H 1 7.849 0.01 . 1 . . . . . 89 D H . 50793 1 1048 . 1 . 1 89 89 ASP HA H 1 4.290 0.01 . 1 . . . . . 89 D HA . 50793 1 1049 . 1 . 1 89 89 ASP HB2 H 1 3.001 0.01 . 2 . . . . . 89 D HB2 . 50793 1 1050 . 1 . 1 89 89 ASP HB3 H 1 2.592 0.01 . 2 . . . . . 89 D HB3 . 50793 1 1051 . 1 . 1 89 89 ASP C C 13 178.041 0.05 . 1 . . . . . 89 D C . 50793 1 1052 . 1 . 1 89 89 ASP CA C 13 58.415 0.07 . 1 . . . . . 89 D CA . 50793 1 1053 . 1 . 1 89 89 ASP CB C 13 39.135 0.07 . 1 . . . . . 89 D CB . 50793 1 1054 . 1 . 1 89 89 ASP N N 15 122.913 0.06 . 1 . . . . . 89 D N . 50793 1 1055 . 1 . 1 90 90 GLU H H 1 8.226 0.01 . 1 . . . . . 90 E H . 50793 1 1056 . 1 . 1 90 90 GLU HA H 1 4.006 0.01 . 1 . . . . . 90 E HA . 50793 1 1057 . 1 . 1 90 90 GLU HB2 H 1 1.990 0.01 . 1 . . . . . 90 E HB2 . 50793 1 1058 . 1 . 1 90 90 GLU HB3 H 1 1.990 0.01 . 1 . . . . . 90 E HB3 . 50793 1 1059 . 1 . 1 90 90 GLU HG2 H 1 2.264 0.01 . 1 . . . . . 90 E HG2 . 50793 1 1060 . 1 . 1 90 90 GLU HG3 H 1 2.264 0.01 . 1 . . . . . 90 E HG3 . 50793 1 1061 . 1 . 1 90 90 GLU C C 13 178.855 0.05 . 1 . . . . . 90 E C . 50793 1 1062 . 1 . 1 90 90 GLU CA C 13 59.438 0.07 . 1 . . . . . 90 E CA . 50793 1 1063 . 1 . 1 90 90 GLU CB C 13 29.600 0.07 . 1 . . . . . 90 E CB . 50793 1 1064 . 1 . 1 90 90 GLU CG C 13 36.254 0.07 . 1 . . . . . 90 E CG . 50793 1 1065 . 1 . 1 90 90 GLU N N 15 117.979 0.06 . 1 . . . . . 90 E N . 50793 1 1066 . 1 . 1 91 91 HIS H H 1 7.971 0.01 . 1 . . . . . 91 H H . 50793 1 1067 . 1 . 1 91 91 HIS HA H 1 4.381 0.01 . 1 . . . . . 91 H HA . 50793 1 1068 . 1 . 1 91 91 HIS HB2 H 1 3.297 0.01 . 2 . . . . . 91 H HB2 . 50793 1 1069 . 1 . 1 91 91 HIS HB3 H 1 3.241 0.01 . 2 . . . . . 91 H HB3 . 50793 1 1070 . 1 . 1 91 91 HIS HD2 H 1 6.240 0.01 . 1 . . . . . 91 H HD2 . 50793 1 1071 . 1 . 1 91 91 HIS C C 13 178.246 0.05 . 1 . . . . . 91 H C . 50793 1 1072 . 1 . 1 91 91 HIS CA C 13 59.413 0.07 . 1 . . . . . 91 H CA . 50793 1 1073 . 1 . 1 91 91 HIS CB C 13 30.437 0.07 . 1 . . . . . 91 H CB . 50793 1 1074 . 1 . 1 91 91 HIS N N 15 119.586 0.06 . 1 . . . . . 91 H N . 50793 1 1075 . 1 . 1 92 92 TYR H H 1 8.624 0.01 . 1 . . . . . 92 Y H . 50793 1 1076 . 1 . 1 92 92 TYR HA H 1 3.750 0.01 . 1 . . . . . 92 Y HA . 50793 1 1077 . 1 . 1 92 92 TYR HB2 H 1 3.053 0.01 . 2 . . . . . 92 Y HB2 . 50793 1 1078 . 1 . 1 92 92 TYR HB3 H 1 2.891 0.01 . 2 . . . . . 92 Y HB3 . 50793 1 1079 . 1 . 1 92 92 TYR HD1 H 1 7.338 0.01 . 3 . . . . . 92 Y HD1 . 50793 1 1080 . 1 . 1 92 92 TYR HD2 H 1 7.338 0.01 . 3 . . . . . 92 Y HD2 . 50793 1 1081 . 1 . 1 92 92 TYR HE1 H 1 6.871 0.01 . 3 . . . . . 92 Y HE1 . 50793 1 1082 . 1 . 1 92 92 TYR HE2 H 1 6.871 0.01 . 3 . . . . . 92 Y HE2 . 50793 1 1083 . 1 . 1 92 92 TYR C C 13 177.853 0.05 . 1 . . . . . 92 Y C . 50793 1 1084 . 1 . 1 92 92 TYR CA C 13 64.589 0.07 . 1 . . . . . 92 Y CA . 50793 1 1085 . 1 . 1 92 92 TYR CB C 13 37.693 0.07 . 1 . . . . . 92 Y CB . 50793 1 1086 . 1 . 1 92 92 TYR N N 15 117.387 0.06 . 1 . . . . . 92 Y N . 50793 1 1087 . 1 . 1 93 93 ARG H H 1 8.699 0.01 . 1 . . . . . 93 R H . 50793 1 1088 . 1 . 1 93 93 ARG HA H 1 4.178 0.01 . 1 . . . . . 93 R HA . 50793 1 1089 . 1 . 1 93 93 ARG HB2 H 1 1.821 0.01 . 1 . . . . . 93 R HB2 . 50793 1 1090 . 1 . 1 93 93 ARG HB3 H 1 1.821 0.01 . 1 . . . . . 93 R HB3 . 50793 1 1091 . 1 . 1 93 93 ARG HG2 H 1 1.823 0.01 . 2 . . . . . 93 R HG2 . 50793 1 1092 . 1 . 1 93 93 ARG HG3 H 1 1.539 0.01 . 2 . . . . . 93 R HG3 . 50793 1 1093 . 1 . 1 93 93 ARG HD2 H 1 3.244 0.01 . 1 . . . . . 93 R HD2 . 50793 1 1094 . 1 . 1 93 93 ARG HD3 H 1 3.244 0.01 . 1 . . . . . 93 R HD3 . 50793 1 1095 . 1 . 1 93 93 ARG C C 13 180.215 0.05 . 1 . . . . . 93 R C . 50793 1 1096 . 1 . 1 93 93 ARG CA C 13 60.450 0.07 . 1 . . . . . 93 R CA . 50793 1 1097 . 1 . 1 93 93 ARG CB C 13 30.337 0.07 . 1 . . . . . 93 R CB . 50793 1 1098 . 1 . 1 93 93 ARG CG C 13 30.087 0.07 . 1 . . . . . 93 R CG . 50793 1 1099 . 1 . 1 93 93 ARG CD C 13 43.508 0.07 . 1 . . . . . 93 R CD . 50793 1 1100 . 1 . 1 93 93 ARG N N 15 120.209 0.06 . 1 . . . . . 93 R N . 50793 1 1101 . 1 . 1 94 94 SER H H 1 7.656 0.01 . 1 . . . . . 94 S H . 50793 1 1102 . 1 . 1 94 94 SER HA H 1 4.274 0.01 . 1 . . . . . 94 S HA . 50793 1 1103 . 1 . 1 94 94 SER HB2 H 1 4.031 0.01 . 2 . . . . . 94 S HB2 . 50793 1 1104 . 1 . 1 94 94 SER HB3 H 1 3.972 0.01 . 2 . . . . . 94 S HB3 . 50793 1 1105 . 1 . 1 94 94 SER C C 13 177.068 0.05 . 1 . . . . . 94 S C . 50793 1 1106 . 1 . 1 94 94 SER CA C 13 61.536 0.07 . 1 . . . . . 94 S CA . 50793 1 1107 . 1 . 1 94 94 SER CB C 13 62.647 0.07 . 1 . . . . . 94 S CB . 50793 1 1108 . 1 . 1 94 94 SER N N 15 114.888 0.06 . 1 . . . . . 94 S N . 50793 1 1109 . 1 . 1 95 95 LEU H H 1 7.910 0.01 . 1 . . . . . 95 L H . 50793 1 1110 . 1 . 1 95 95 LEU HA H 1 3.955 0.01 . 1 . . . . . 95 L HA . 50793 1 1111 . 1 . 1 95 95 LEU HB2 H 1 1.643 0.01 . 2 . . . . . 95 L HB2 . 50793 1 1112 . 1 . 1 95 95 LEU HB3 H 1 1.258 0.01 . 2 . . . . . 95 L HB3 . 50793 1 1113 . 1 . 1 95 95 LEU HG H 1 1.127 0.01 . 1 . . . . . 95 L HG . 50793 1 1114 . 1 . 1 95 95 LEU HD11 H 1 0.663 0.01 . 2 . . . . . 95 L HD11 . 50793 1 1115 . 1 . 1 95 95 LEU HD12 H 1 0.663 0.01 . 2 . . . . . 95 L HD12 . 50793 1 1116 . 1 . 1 95 95 LEU HD13 H 1 0.663 0.01 . 2 . . . . . 95 L HD13 . 50793 1 1117 . 1 . 1 95 95 LEU HD21 H 1 0.290 0.01 . 2 . . . . . 95 L HD21 . 50793 1 1118 . 1 . 1 95 95 LEU HD22 H 1 0.290 0.01 . 2 . . . . . 95 L HD22 . 50793 1 1119 . 1 . 1 95 95 LEU HD23 H 1 0.290 0.01 . 2 . . . . . 95 L HD23 . 50793 1 1120 . 1 . 1 95 95 LEU C C 13 179.242 0.05 . 1 . . . . . 95 L C . 50793 1 1121 . 1 . 1 95 95 LEU CA C 13 57.853 0.07 . 1 . . . . . 95 L CA . 50793 1 1122 . 1 . 1 95 95 LEU CB C 13 42.047 0.07 . 1 . . . . . 95 L CB . 50793 1 1123 . 1 . 1 95 95 LEU CG C 13 26.187 0.07 . 1 . . . . . 95 L CG . 50793 1 1124 . 1 . 1 95 95 LEU CD1 C 13 22.446 0.07 . 2 . . . . . 95 L CD1 . 50793 1 1125 . 1 . 1 95 95 LEU CD2 C 13 24.695 0.07 . 2 . . . . . 95 L CD2 . 50793 1 1126 . 1 . 1 95 95 LEU N N 15 123.389 0.06 . 1 . . . . . 95 L N . 50793 1 1127 . 1 . 1 96 96 VAL H H 1 8.254 0.01 . 1 . . . . . 96 V H . 50793 1 1128 . 1 . 1 96 96 VAL HA H 1 3.293 0.01 . 1 . . . . . 96 V HA . 50793 1 1129 . 1 . 1 96 96 VAL HB H 1 2.246 0.01 . 1 . . . . . 96 V HB . 50793 1 1130 . 1 . 1 96 96 VAL HG11 H 1 0.757 0.01 . 2 . . . . . 96 V HG11 . 50793 1 1131 . 1 . 1 96 96 VAL HG12 H 1 0.757 0.01 . 2 . . . . . 96 V HG12 . 50793 1 1132 . 1 . 1 96 96 VAL HG13 H 1 0.757 0.01 . 2 . . . . . 96 V HG13 . 50793 1 1133 . 1 . 1 96 96 VAL HG21 H 1 0.969 0.01 . 2 . . . . . 96 V HG21 . 50793 1 1134 . 1 . 1 96 96 VAL HG22 H 1 0.969 0.01 . 2 . . . . . 96 V HG22 . 50793 1 1135 . 1 . 1 96 96 VAL HG23 H 1 0.969 0.01 . 2 . . . . . 96 V HG23 . 50793 1 1136 . 1 . 1 96 96 VAL C C 13 176.986 0.05 . 1 . . . . . 96 V C . 50793 1 1137 . 1 . 1 96 96 VAL CA C 13 67.157 0.07 . 1 . . . . . 96 V CA . 50793 1 1138 . 1 . 1 96 96 VAL CB C 13 32.247 0.07 . 1 . . . . . 96 V CB . 50793 1 1139 . 1 . 1 96 96 VAL CG1 C 13 24.622 0.07 . 2 . . . . . 96 V CG1 . 50793 1 1140 . 1 . 1 96 96 VAL CG2 C 13 21.647 0.07 . 2 . . . . . 96 V CG2 . 50793 1 1141 . 1 . 1 96 96 VAL N N 15 120.325 0.06 . 1 . . . . . 96 V N . 50793 1 1142 . 1 . 1 97 97 ILE H H 1 7.012 0.01 . 1 . . . . . 97 I H . 50793 1 1143 . 1 . 1 97 97 ILE HA H 1 3.560 0.01 . 1 . . . . . 97 I HA . 50793 1 1144 . 1 . 1 97 97 ILE HB H 1 1.955 0.01 . 1 . . . . . 97 I HB . 50793 1 1145 . 1 . 1 97 97 ILE HG12 H 1 1.753 0.01 . 2 . . . . . 97 I HG12 . 50793 1 1146 . 1 . 1 97 97 ILE HG13 H 1 1.174 0.01 . 2 . . . . . 97 I HG13 . 50793 1 1147 . 1 . 1 97 97 ILE HG21 H 1 0.972 0.01 . 1 . . . . . 97 I HG21 . 50793 1 1148 . 1 . 1 97 97 ILE HG22 H 1 0.972 0.01 . 1 . . . . . 97 I HG22 . 50793 1 1149 . 1 . 1 97 97 ILE HG23 H 1 0.972 0.01 . 1 . . . . . 97 I HG23 . 50793 1 1150 . 1 . 1 97 97 ILE HD11 H 1 0.919 0.01 . 1 . . . . . 97 I HD11 . 50793 1 1151 . 1 . 1 97 97 ILE HD12 H 1 0.919 0.01 . 1 . . . . . 97 I HD12 . 50793 1 1152 . 1 . 1 97 97 ILE HD13 H 1 0.919 0.01 . 1 . . . . . 97 I HD13 . 50793 1 1153 . 1 . 1 97 97 ILE C C 13 179.429 0.05 . 1 . . . . . 97 I C . 50793 1 1154 . 1 . 1 97 97 ILE CA C 13 65.581 0.07 . 1 . . . . . 97 I CA . 50793 1 1155 . 1 . 1 97 97 ILE CB C 13 38.701 0.07 . 1 . . . . . 97 I CB . 50793 1 1156 . 1 . 1 97 97 ILE CG1 C 13 29.962 0.07 . 1 . . . . . 97 I CG1 . 50793 1 1157 . 1 . 1 97 97 ILE CG2 C 13 17.053 0.07 . 1 . . . . . 97 I CG2 . 50793 1 1158 . 1 . 1 97 97 ILE CD1 C 13 13.370 0.07 . 1 . . . . . 97 I CD1 . 50793 1 1159 . 1 . 1 97 97 ILE N N 15 118.379 0.06 . 1 . . . . . 97 I N . 50793 1 1160 . 1 . 1 98 98 GLN H H 1 7.911 0.01 . 1 . . . . . 98 Q H . 50793 1 1161 . 1 . 1 98 98 GLN HA H 1 4.125 0.01 . 1 . . . . . 98 Q HA . 50793 1 1162 . 1 . 1 98 98 GLN HB2 H 1 2.235 0.01 . 1 . . . . . 98 Q HB2 . 50793 1 1163 . 1 . 1 98 98 GLN HB3 H 1 2.185 0.01 . 1 . . . . . 98 Q HB3 . 50793 1 1164 . 1 . 1 98 98 GLN HG2 H 1 2.514 0.01 . 2 . . . . . 98 Q HG2 . 50793 1 1165 . 1 . 1 98 98 GLN HG3 H 1 2.352 0.01 . 2 . . . . . 98 Q HG3 . 50793 1 1166 . 1 . 1 98 98 GLN C C 13 179.125 0.05 . 1 . . . . . 98 Q C . 50793 1 1167 . 1 . 1 98 98 GLN CA C 13 58.852 0.07 . 1 . . . . . 98 Q CA . 50793 1 1168 . 1 . 1 98 98 GLN CB C 13 29.525 0.07 . 1 . . . . . 98 Q CB . 50793 1 1169 . 1 . 1 98 98 GLN CG C 13 34.282 0.07 . 1 . . . . . 98 Q CG . 50793 1 1170 . 1 . 1 98 98 GLN N N 15 119.147 0.06 . 1 . . . . . 98 Q N . 50793 1 1171 . 1 . 1 99 99 GLU H H 1 9.032 0.01 . 1 . . . . . 99 E H . 50793 1 1172 . 1 . 1 99 99 GLU HA H 1 4.153 0.01 . 1 . . . . . 99 E HA . 50793 1 1173 . 1 . 1 99 99 GLU HB2 H 1 2.152 0.01 . 2 . . . . . 99 E HB2 . 50793 1 1174 . 1 . 1 99 99 GLU HB3 H 1 2.015 0.01 . 2 . . . . . 99 E HB3 . 50793 1 1175 . 1 . 1 99 99 GLU HG2 H 1 2.585 0.01 . 1 . . . . . 99 E HG2 . 50793 1 1176 . 1 . 1 99 99 GLU HG3 H 1 2.497 0.01 . 1 . . . . . 99 E HG3 . 50793 1 1177 . 1 . 1 99 99 GLU C C 13 179.623 0.05 . 1 . . . . . 99 E C . 50793 1 1178 . 1 . 1 99 99 GLU CA C 13 58.739 0.07 . 1 . . . . . 99 E CA . 50793 1 1179 . 1 . 1 99 99 GLU CB C 13 29.163 0.07 . 1 . . . . . 99 E CB . 50793 1 1180 . 1 . 1 99 99 GLU CG C 13 36.392 0.07 . 1 . . . . . 99 E CG . 50793 1 1181 . 1 . 1 99 99 GLU N N 15 120.812 0.06 . 1 . . . . . 99 E N . 50793 1 1182 . 1 . 1 100 100 ARG H H 1 8.921 0.01 . 1 . . . . . 100 R H . 50793 1 1183 . 1 . 1 100 100 ARG HA H 1 3.938 0.01 . 1 . . . . . 100 R HA . 50793 1 1184 . 1 . 1 100 100 ARG HB2 H 1 2.030 0.01 . 2 . . . . . 100 R HB2 . 50793 1 1185 . 1 . 1 100 100 ARG HB3 H 1 1.790 0.01 . 2 . . . . . 100 R HB3 . 50793 1 1186 . 1 . 1 100 100 ARG HG2 H 1 1.653 0.01 . 1 . . . . . 100 R HG2 . 50793 1 1187 . 1 . 1 100 100 ARG HG3 H 1 1.653 0.01 . 1 . . . . . 100 R HG3 . 50793 1 1188 . 1 . 1 100 100 ARG HD2 H 1 3.332 0.01 . 2 . . . . . 100 R HD2 . 50793 1 1189 . 1 . 1 100 100 ARG HD3 H 1 3.191 0.01 . 2 . . . . . 100 R HD3 . 50793 1 1190 . 1 . 1 100 100 ARG C C 13 179.289 0.05 . 1 . . . . . 100 R C . 50793 1 1191 . 1 . 1 100 100 ARG CA C 13 60.122 0.07 . 1 . . . . . 100 R CA . 50793 1 1192 . 1 . 1 100 100 ARG CB C 13 30.074 0.07 . 1 . . . . . 100 R CB . 50793 1 1193 . 1 . 1 100 100 ARG CG C 13 28.664 0.07 . 1 . . . . . 100 R CG . 50793 1 1194 . 1 . 1 100 100 ARG CD C 13 42.921 0.07 . 1 . . . . . 100 R CD . 50793 1 1195 . 1 . 1 100 100 ARG N N 15 121.535 0.06 . 1 . . . . . 100 R N . 50793 1 1196 . 1 . 1 101 101 ALA H H 1 7.546 0.01 . 1 . . . . . 101 A H . 50793 1 1197 . 1 . 1 101 101 ALA HA H 1 4.246 0.01 . 1 . . . . . 101 A HA . 50793 1 1198 . 1 . 1 101 101 ALA HB1 H 1 1.564 0.01 . 1 . . . . . 101 A HB1 . 50793 1 1199 . 1 . 1 101 101 ALA HB2 H 1 1.564 0.01 . 1 . . . . . 101 A HB2 . 50793 1 1200 . 1 . 1 101 101 ALA HB3 H 1 1.564 0.01 . 1 . . . . . 101 A HB3 . 50793 1 1201 . 1 . 1 101 101 ALA C C 13 179.892 0.05 . 1 . . . . . 101 A C . 50793 1 1202 . 1 . 1 101 101 ALA CA C 13 54.657 0.07 . 1 . . . . . 101 A CA . 50793 1 1203 . 1 . 1 101 101 ALA CB C 13 17.953 0.07 . 1 . . . . . 101 A CB . 50793 1 1204 . 1 . 1 101 101 ALA N N 15 120.014 0.06 . 1 . . . . . 101 A N . 50793 1 1205 . 1 . 1 102 102 LYS H H 1 7.634 0.01 . 1 . . . . . 102 K H . 50793 1 1206 . 1 . 1 102 102 LYS HA H 1 4.150 0.01 . 1 . . . . . 102 K HA . 50793 1 1207 . 1 . 1 102 102 LYS HB2 H 1 2.065 0.01 . 2 . . . . . 102 K HB2 . 50793 1 1208 . 1 . 1 102 102 LYS HB3 H 1 1.980 0.01 . 2 . . . . . 102 K HB3 . 50793 1 1209 . 1 . 1 102 102 LYS HG2 H 1 1.709 0.01 . 2 . . . . . 102 K HG2 . 50793 1 1210 . 1 . 1 102 102 LYS HG3 H 1 1.480 0.01 . 2 . . . . . 102 K HG3 . 50793 1 1211 . 1 . 1 102 102 LYS HD2 H 1 1.791 0.01 . 1 . . . . . 102 K HD2 . 50793 1 1212 . 1 . 1 102 102 LYS HD3 H 1 1.791 0.01 . 1 . . . . . 102 K HD3 . 50793 1 1213 . 1 . 1 102 102 LYS HE2 H 1 3.017 0.01 . 1 . . . . . 102 K HE2 . 50793 1 1214 . 1 . 1 102 102 LYS HE3 H 1 2.920 0.01 . 1 . . . . . 102 K HE3 . 50793 1 1215 . 1 . 1 102 102 LYS C C 13 178.375 0.05 . 1 . . . . . 102 K C . 50793 1 1216 . 1 . 1 102 102 LYS CA C 13 58.577 0.07 . 1 . . . . . 102 K CA . 50793 1 1217 . 1 . 1 102 102 LYS CB C 13 33.008 0.07 . 1 . . . . . 102 K CB . 50793 1 1218 . 1 . 1 102 102 LYS CG C 13 25.323 0.07 . 1 . . . . . 102 K CG . 50793 1 1219 . 1 . 1 102 102 LYS CD C 13 29.793 0.07 . 1 . . . . . 102 K CD . 50793 1 1220 . 1 . 1 102 102 LYS CE C 13 42.035 0.07 . 1 . . . . . 102 K CE . 50793 1 1221 . 1 . 1 102 102 LYS N N 15 118.023 0.06 . 1 . . . . . 102 K N . 50793 1 1222 . 1 . 1 103 103 LEU H H 1 7.769 0.01 . 1 . . . . . 103 L H . 50793 1 1223 . 1 . 1 103 103 LEU HA H 1 4.334 0.01 . 1 . . . . . 103 L HA . 50793 1 1224 . 1 . 1 103 103 LEU HB2 H 1 1.977 0.01 . 2 . . . . . 103 L HB2 . 50793 1 1225 . 1 . 1 103 103 LEU HB3 H 1 1.693 0.01 . 2 . . . . . 103 L HB3 . 50793 1 1226 . 1 . 1 103 103 LEU HG H 1 1.977 0.01 . 1 . . . . . 103 L HG . 50793 1 1227 . 1 . 1 103 103 LEU HD11 H 1 1.028 0.01 . 2 . . . . . 103 L HD11 . 50793 1 1228 . 1 . 1 103 103 LEU HD12 H 1 1.028 0.01 . 2 . . . . . 103 L HD12 . 50793 1 1229 . 1 . 1 103 103 LEU HD13 H 1 1.028 0.01 . 2 . . . . . 103 L HD13 . 50793 1 1230 . 1 . 1 103 103 LEU HD21 H 1 0.953 0.01 . 2 . . . . . 103 L HD21 . 50793 1 1231 . 1 . 1 103 103 LEU HD22 H 1 0.953 0.01 . 2 . . . . . 103 L HD22 . 50793 1 1232 . 1 . 1 103 103 LEU HD23 H 1 0.953 0.01 . 2 . . . . . 103 L HD23 . 50793 1 1233 . 1 . 1 103 103 LEU C C 13 178.474 0.05 . 1 . . . . . 103 L C . 50793 1 1234 . 1 . 1 103 103 LEU CA C 13 56.242 0.07 . 1 . . . . . 103 L CA . 50793 1 1235 . 1 . 1 103 103 LEU CB C 13 42.010 0.07 . 1 . . . . . 103 L CB . 50793 1 1236 . 1 . 1 103 103 LEU CG C 13 26.766 0.07 . 1 . . . . . 103 L CG . 50793 1 1237 . 1 . 1 103 103 LEU CD1 C 13 25.780 0.07 . 2 . . . . . 103 L CD1 . 50793 1 1238 . 1 . 1 103 103 LEU CD2 C 13 22.783 0.07 . 2 . . . . . 103 L CD2 . 50793 1 1239 . 1 . 1 103 103 LEU N N 15 118.623 0.06 . 1 . . . . . 103 L N . 50793 1 1240 . 1 . 1 104 104 SER H H 1 8.017 0.01 . 1 . . . . . 104 S H . 50793 1 1241 . 1 . 1 104 104 SER HA H 1 4.527 0.01 . 1 . . . . . 104 S HA . 50793 1 1242 . 1 . 1 104 104 SER HB2 H 1 4.031 0.01 . 1 . . . . . 104 S HB2 . 50793 1 1243 . 1 . 1 104 104 SER HB3 H 1 4.031 0.01 . 1 . . . . . 104 S HB3 . 50793 1 1244 . 1 . 1 104 104 SER C C 13 175.386 0.05 . 1 . . . . . 104 S C . 50793 1 1245 . 1 . 1 104 104 SER CA C 13 59.289 0.07 . 1 . . . . . 104 S CA . 50793 1 1246 . 1 . 1 104 104 SER CB C 13 63.758 0.07 . 1 . . . . . 104 S CB . 50793 1 1247 . 1 . 1 104 104 SER N N 15 114.508 0.06 . 1 . . . . . 104 S N . 50793 1 1248 . 1 . 1 105 105 THR H H 1 8.076 0.01 . 1 . . . . . 105 T H . 50793 1 1249 . 1 . 1 105 105 THR HA H 1 4.480 0.01 . 1 . . . . . 105 T HA . 50793 1 1250 . 1 . 1 105 105 THR HB H 1 4.402 0.01 . 1 . . . . . 105 T HB . 50793 1 1251 . 1 . 1 105 105 THR HG21 H 1 1.291 0.01 . 1 . . . . . 105 T HG21 . 50793 1 1252 . 1 . 1 105 105 THR HG22 H 1 1.291 0.01 . 1 . . . . . 105 T HG22 . 50793 1 1253 . 1 . 1 105 105 THR HG23 H 1 1.291 0.01 . 1 . . . . . 105 T HG23 . 50793 1 1254 . 1 . 1 105 105 THR C C 13 175.087 0.05 . 1 . . . . . 105 T C . 50793 1 1255 . 1 . 1 105 105 THR CA C 13 62.247 0.07 . 1 . . . . . 105 T CA . 50793 1 1256 . 1 . 1 105 105 THR CB C 13 69.726 0.07 . 1 . . . . . 105 T CB . 50793 1 1257 . 1 . 1 105 105 THR CG2 C 13 21.560 0.07 . 1 . . . . . 105 T CG2 . 50793 1 1258 . 1 . 1 105 105 THR N N 15 114.801 0.06 . 1 . . . . . 105 T N . 50793 1 1259 . 1 . 1 106 106 SER H H 1 8.288 0.01 . 1 . . . . . 106 S H . 50793 1 1260 . 1 . 1 106 106 SER HA H 1 4.508 0.01 . 1 . . . . . 106 S HA . 50793 1 1261 . 1 . 1 106 106 SER HB2 H 1 3.975 0.01 . 1 . . . . . 106 S HB2 . 50793 1 1262 . 1 . 1 106 106 SER HB3 H 1 3.975 0.01 . 1 . . . . . 106 S HB3 . 50793 1 1263 . 1 . 1 106 106 SER C C 13 175.134 0.05 . 1 . . . . . 106 S C . 50793 1 1264 . 1 . 1 106 106 SER CA C 13 58.976 0.07 . 1 . . . . . 106 S CA . 50793 1 1265 . 1 . 1 106 106 SER CB C 13 63.895 0.07 . 1 . . . . . 106 S CB . 50793 1 1266 . 1 . 1 106 106 SER N N 15 117.859 0.06 . 1 . . . . . 106 S N . 50793 1 1267 . 1 . 1 107 107 GLY H H 1 8.446 0.01 . 1 . . . . . 107 G H . 50793 1 1268 . 1 . 1 107 107 GLY HA2 H 1 4.015 0.01 . 1 . . . . . 107 G HA2 . 50793 1 1269 . 1 . 1 107 107 GLY HA3 H 1 4.015 0.01 . 1 . . . . . 107 G HA3 . 50793 1 1270 . 1 . 1 107 107 GLY C C 13 173.716 0.05 . 1 . . . . . 107 G C . 50793 1 1271 . 1 . 1 107 107 GLY CA C 13 45.337 0.07 . 1 . . . . . 107 G CA . 50793 1 1272 . 1 . 1 107 107 GLY N N 15 111.053 0.06 . 1 . . . . . 107 G N . 50793 1 1273 . 1 . 1 108 108 ALA H H 1 8.136 0.01 . 1 . . . . . 108 A H . 50793 1 1274 . 1 . 1 108 108 ALA HA H 1 4.404 0.01 . 1 . . . . . 108 A HA . 50793 1 1275 . 1 . 1 108 108 ALA HB1 H 1 1.420 0.01 . 1 . . . . . 108 A HB1 . 50793 1 1276 . 1 . 1 108 108 ALA HB2 H 1 1.420 0.01 . 1 . . . . . 108 A HB2 . 50793 1 1277 . 1 . 1 108 108 ALA HB3 H 1 1.420 0.01 . 1 . . . . . 108 A HB3 . 50793 1 1278 . 1 . 1 108 108 ALA C C 13 176.863 0.05 . 1 . . . . . 108 A C . 50793 1 1279 . 1 . 1 108 108 ALA CA C 13 52.591 0.07 . 1 . . . . . 108 A CA . 50793 1 1280 . 1 . 1 108 108 ALA CB C 13 19.381 0.07 . 1 . . . . . 108 A CB . 50793 1 1281 . 1 . 1 108 108 ALA N N 15 124.212 0.06 . 1 . . . . . 108 A N . 50793 1 1282 . 1 . 1 109 109 ILE H H 1 7.747 0.01 . 1 . . . . . 109 I H . 50793 1 1283 . 1 . 1 109 109 ILE HA H 1 4.121 0.01 . 1 . . . . . 109 I HA . 50793 1 1284 . 1 . 1 109 109 ILE HB H 1 1.871 0.01 . 1 . . . . . 109 I HB . 50793 1 1285 . 1 . 1 109 109 ILE HG12 H 1 1.450 0.01 . 2 . . . . . 109 I HG12 . 50793 1 1286 . 1 . 1 109 109 ILE HG13 H 1 1.175 0.01 . 2 . . . . . 109 I HG13 . 50793 1 1287 . 1 . 1 109 109 ILE HG21 H 1 0.925 0.01 . 1 . . . . . 109 I HG21 . 50793 1 1288 . 1 . 1 109 109 ILE HG22 H 1 0.925 0.01 . 1 . . . . . 109 I HG22 . 50793 1 1289 . 1 . 1 109 109 ILE HG23 H 1 0.925 0.01 . 1 . . . . . 109 I HG23 . 50793 1 1290 . 1 . 1 109 109 ILE HD11 H 1 0.907 0.01 . 1 . . . . . 109 I HD11 . 50793 1 1291 . 1 . 1 109 109 ILE HD12 H 1 0.907 0.01 . 1 . . . . . 109 I HD12 . 50793 1 1292 . 1 . 1 109 109 ILE HD13 H 1 0.907 0.01 . 1 . . . . . 109 I HD13 . 50793 1 1293 . 1 . 1 109 109 ILE C C 13 181.269 0.05 . 1 . . . . . 109 I C . 50793 1 1294 . 1 . 1 109 109 ILE CA C 13 62.894 0.07 . 1 . . . . . 109 I CA . 50793 1 1295 . 1 . 1 109 109 ILE CB C 13 39.777 0.07 . 1 . . . . . 109 I CB . 50793 1 1296 . 1 . 1 109 109 ILE CG1 C 13 27.259 0.07 . 1 . . . . . 109 I CG1 . 50793 1 1297 . 1 . 1 109 109 ILE CG2 C 13 18.102 0.07 . 1 . . . . . 109 I CG2 . 50793 1 1298 . 1 . 1 109 109 ILE CD1 C 13 13.657 0.07 . 1 . . . . . 109 I CD1 . 50793 1 1299 . 1 . 1 109 109 ILE N N 15 124.235 0.06 . 1 . . . . . 109 I N . 50793 1 stop_ save_