data_34546 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34546 _Entry.Title ; Emfourin (M4in) from Serratia proteamaculans, M4 family peptidase inhibitor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-07-31 _Entry.Accession_date 2020-07-31 _Entry.Last_release_date 2020-08-26 _Entry.Original_release_date 2020-08-26 _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 NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 T. Bozin T. N. . . 34546 2 K. Chukhontseva K. N. . . 34546 3 P. Konarev P. V. . . 34546 4 E. Bocharov E. V. . . 34546 5 I. Demidyuk I. V. . . 34546 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'M4 family peptidases' . 34546 'PROTEIN BINDING' . 34546 'metalloprotease inhibitor' . 34546 'protealysin operon' . 34546 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34546 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 522 34546 '15N chemical shifts' 125 34546 '1H chemical shifts' 833 34546 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 . . 2023-06-09 2020-07-31 update BMRB 'update entry citation' 34546 1 . . 2021-08-31 2020-07-31 original author 'original release' 34546 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6ZYG 'BMRB Entry Tracking System' 34546 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34546 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36889586 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; NMR structure of emfourin, a novel protein metalloprotease inhibitor: Insights into the mechanism of action ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 299 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 104585 _Citation.Page_last 104585 _Citation.Year 2023 _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 Timur Bozin T. N. . . 34546 1 2 Igor Berdyshev I. M. . . 34546 1 3 Ksenia Chukhontseva K. N. . . 34546 1 4 Maria Karaseva M. A. . . 34546 1 5 Petr Konarev P. V. . . 34546 1 6 Anna Varizhuk A. M. . . 34546 1 7 Dmitry Lesovoy D. M. . . 34546 1 8 Alexander Arseniev A. S. . . 34546 1 9 Sergey Kostrov S. V. . . 34546 1 10 Eduard Bocharov E. V. . . 34546 1 11 Ilya Demidyuk I. V. . . 34546 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34546 _Assembly.ID 1 _Assembly.Name 'Protealysin-associated protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34546 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34546 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKPLPVLNQDTVIELAREGG FAFIPKLAGQRRIALADITP EQRQRLNQLLNQTLPYAQEE GQPDSPGSGDQRYFRVQISY YSQTLRSEIVLLIPETSAPQ ALVDLWKTGQVDE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 113 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation C68S _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12748.350 _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 . 34546 1 2 . LYS . 34546 1 3 . PRO . 34546 1 4 . LEU . 34546 1 5 . PRO . 34546 1 6 . VAL . 34546 1 7 . LEU . 34546 1 8 . ASN . 34546 1 9 . GLN . 34546 1 10 . ASP . 34546 1 11 . THR . 34546 1 12 . VAL . 34546 1 13 . ILE . 34546 1 14 . GLU . 34546 1 15 . LEU . 34546 1 16 . ALA . 34546 1 17 . ARG . 34546 1 18 . GLU . 34546 1 19 . GLY . 34546 1 20 . GLY . 34546 1 21 . PHE . 34546 1 22 . ALA . 34546 1 23 . PHE . 34546 1 24 . ILE . 34546 1 25 . PRO . 34546 1 26 . LYS . 34546 1 27 . LEU . 34546 1 28 . ALA . 34546 1 29 . GLY . 34546 1 30 . GLN . 34546 1 31 . ARG . 34546 1 32 . ARG . 34546 1 33 . ILE . 34546 1 34 . ALA . 34546 1 35 . LEU . 34546 1 36 . ALA . 34546 1 37 . ASP . 34546 1 38 . ILE . 34546 1 39 . THR . 34546 1 40 . PRO . 34546 1 41 . GLU . 34546 1 42 . GLN . 34546 1 43 . ARG . 34546 1 44 . GLN . 34546 1 45 . ARG . 34546 1 46 . LEU . 34546 1 47 . ASN . 34546 1 48 . GLN . 34546 1 49 . LEU . 34546 1 50 . LEU . 34546 1 51 . ASN . 34546 1 52 . GLN . 34546 1 53 . THR . 34546 1 54 . LEU . 34546 1 55 . PRO . 34546 1 56 . TYR . 34546 1 57 . ALA . 34546 1 58 . GLN . 34546 1 59 . GLU . 34546 1 60 . GLU . 34546 1 61 . GLY . 34546 1 62 . GLN . 34546 1 63 . PRO . 34546 1 64 . ASP . 34546 1 65 . SER . 34546 1 66 . PRO . 34546 1 67 . GLY . 34546 1 68 . SER . 34546 1 69 . GLY . 34546 1 70 . ASP . 34546 1 71 . GLN . 34546 1 72 . ARG . 34546 1 73 . TYR . 34546 1 74 . PHE . 34546 1 75 . ARG . 34546 1 76 . VAL . 34546 1 77 . GLN . 34546 1 78 . ILE . 34546 1 79 . SER . 34546 1 80 . TYR . 34546 1 81 . TYR . 34546 1 82 . SER . 34546 1 83 . GLN . 34546 1 84 . THR . 34546 1 85 . LEU . 34546 1 86 . ARG . 34546 1 87 . SER . 34546 1 88 . GLU . 34546 1 89 . ILE . 34546 1 90 . VAL . 34546 1 91 . LEU . 34546 1 92 . LEU . 34546 1 93 . ILE . 34546 1 94 . PRO . 34546 1 95 . GLU . 34546 1 96 . THR . 34546 1 97 . SER . 34546 1 98 . ALA . 34546 1 99 . PRO . 34546 1 100 . GLN . 34546 1 101 . ALA . 34546 1 102 . LEU . 34546 1 103 . VAL . 34546 1 104 . ASP . 34546 1 105 . LEU . 34546 1 106 . TRP . 34546 1 107 . LYS . 34546 1 108 . THR . 34546 1 109 . GLY . 34546 1 110 . GLN . 34546 1 111 . VAL . 34546 1 112 . ASP . 34546 1 113 . GLU . 34546 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 34546 1 . LYS 2 2 34546 1 . PRO 3 3 34546 1 . LEU 4 4 34546 1 . PRO 5 5 34546 1 . VAL 6 6 34546 1 . LEU 7 7 34546 1 . ASN 8 8 34546 1 . GLN 9 9 34546 1 . ASP 10 10 34546 1 . THR 11 11 34546 1 . VAL 12 12 34546 1 . ILE 13 13 34546 1 . GLU 14 14 34546 1 . LEU 15 15 34546 1 . ALA 16 16 34546 1 . ARG 17 17 34546 1 . GLU 18 18 34546 1 . GLY 19 19 34546 1 . GLY 20 20 34546 1 . PHE 21 21 34546 1 . ALA 22 22 34546 1 . PHE 23 23 34546 1 . ILE 24 24 34546 1 . PRO 25 25 34546 1 . LYS 26 26 34546 1 . LEU 27 27 34546 1 . ALA 28 28 34546 1 . GLY 29 29 34546 1 . GLN 30 30 34546 1 . ARG 31 31 34546 1 . ARG 32 32 34546 1 . ILE 33 33 34546 1 . ALA 34 34 34546 1 . LEU 35 35 34546 1 . ALA 36 36 34546 1 . ASP 37 37 34546 1 . ILE 38 38 34546 1 . THR 39 39 34546 1 . PRO 40 40 34546 1 . GLU 41 41 34546 1 . GLN 42 42 34546 1 . ARG 43 43 34546 1 . GLN 44 44 34546 1 . ARG 45 45 34546 1 . LEU 46 46 34546 1 . ASN 47 47 34546 1 . GLN 48 48 34546 1 . LEU 49 49 34546 1 . LEU 50 50 34546 1 . ASN 51 51 34546 1 . GLN 52 52 34546 1 . THR 53 53 34546 1 . LEU 54 54 34546 1 . PRO 55 55 34546 1 . TYR 56 56 34546 1 . ALA 57 57 34546 1 . GLN 58 58 34546 1 . GLU 59 59 34546 1 . GLU 60 60 34546 1 . GLY 61 61 34546 1 . GLN 62 62 34546 1 . PRO 63 63 34546 1 . ASP 64 64 34546 1 . SER 65 65 34546 1 . PRO 66 66 34546 1 . GLY 67 67 34546 1 . SER 68 68 34546 1 . GLY 69 69 34546 1 . ASP 70 70 34546 1 . GLN 71 71 34546 1 . ARG 72 72 34546 1 . TYR 73 73 34546 1 . PHE 74 74 34546 1 . ARG 75 75 34546 1 . VAL 76 76 34546 1 . GLN 77 77 34546 1 . ILE 78 78 34546 1 . SER 79 79 34546 1 . TYR 80 80 34546 1 . TYR 81 81 34546 1 . SER 82 82 34546 1 . GLN 83 83 34546 1 . THR 84 84 34546 1 . LEU 85 85 34546 1 . ARG 86 86 34546 1 . SER 87 87 34546 1 . GLU 88 88 34546 1 . ILE 89 89 34546 1 . VAL 90 90 34546 1 . LEU 91 91 34546 1 . LEU 92 92 34546 1 . ILE 93 93 34546 1 . PRO 94 94 34546 1 . GLU 95 95 34546 1 . THR 96 96 34546 1 . SER 97 97 34546 1 . ALA 98 98 34546 1 . PRO 99 99 34546 1 . GLN 100 100 34546 1 . ALA 101 101 34546 1 . LEU 102 102 34546 1 . VAL 103 103 34546 1 . ASP 104 104 34546 1 . LEU 105 105 34546 1 . TRP 106 106 34546 1 . LYS 107 107 34546 1 . THR 108 108 34546 1 . GLY 109 109 34546 1 . GLN 110 110 34546 1 . VAL 111 111 34546 1 . ASP 112 112 34546 1 . GLU 113 113 34546 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 34546 _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 . 28151 organism . 'Serratia proteamaculans' 'Serratia proteamaculans' . . Bacteria . Serratia proteamaculans . . . . . . . . . . . pass . 34546 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 34546 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . . . plasmid . . pET23c . . . 34546 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34546 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.37 mM 13C-99%,15N-99% protein, 5.76 mM Na2HPO4, 12.24 mM NaH2PO4, 1.5 mM TMSP, 0.05 % NaN3, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 protein '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.37 . . mM . . . . 34546 1 2 Na2HPO4 'natural abundance' . . . . . . 5.76 . . mM . . . . 34546 1 3 NaH2PO4 'natural abundance' . . . . . . 12.24 . . mM . . . . 34546 1 4 TMSP 'natural abundance' . . . . . . 1.5 . . mM . . . . 34546 1 5 NaN3 'natural abundance' . . . . . . 0.05 . . % . . . . 34546 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34546 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 35 . mM 34546 1 pH 6.5 . pH 34546 1 pressure 1 . atm 34546 1 temperature 298 . K 34546 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 34546 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 35 . mM 34546 2 pH 6.5 . pH 34546 2 pressure 1 . atm 34546 2 temperature 300 . K 34546 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 34546 _Sample_condition_list.ID 3 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 35 . mM 34546 3 pH 6.5 . pH 34546 3 pressure 1 . atm 34546 3 temperature 303 . K 34546 3 stop_ save_ save_sample_conditions_4 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_4 _Sample_condition_list.Entry_ID 34546 _Sample_condition_list.ID 4 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 35 . mM 34546 4 pH 6.5 . pH 34546 4 pressure 1 . atm 34546 4 temperature 305 . K 34546 4 stop_ save_ save_sample_conditions_5 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_5 _Sample_condition_list.Entry_ID 34546 _Sample_condition_list.ID 5 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 35 . mM 34546 5 pH 6.5 . pH 34546 5 pressure 1 . atm 34546 5 temperature 308 . K 34546 5 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34546 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34546 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34546 1 'structure calculation' . 34546 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34546 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34546 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34546 2 'peak picking' . 34546 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34546 _Software.ID 3 _Software.Type . _Software.Name MOLMOL _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 34546 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 34546 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34546 _Software.ID 4 _Software.Type . _Software.Name TALOS-N _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 34546 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 34546 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34546 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34546 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AVANCE . 600 . . . 34546 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 34546 _Experiment_list.ID 1 _Experiment_list.Details . 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 HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34546 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34546 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34546 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 4 $sample_conditions_4 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34546 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 5 $sample_conditions_5 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34546 1 6 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34546 1 7 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34546 1 8 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34546 1 9 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34546 1 10 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34546 1 11 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34546 1 12 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34546 1 13 '3D HNHA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34546 1 14 '3D HNHB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34546 1 15 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34546 1 16 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34546 1 17 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34546 1 18 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34546 1 19 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34546 1 20 '2D 1H-15N TROSY-HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34546 1 21 '2D 1H-13C HSQC aliphatic, constant time' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34546 1 22 '2D 1H-13C HSQC aromatic, constant time' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34546 1 23 '2D 1H-13C{15N} spin-echo difference CT-HSQC, experiment to measure J(C-N)' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34546 1 24 '2D 1H-13C{13CO} spin-echo difference CT-HSQC, experiment to measure J(C-CO)' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34546 1 25 '2D 1H-13C{13CA} spin-echo difference CT-HSQC, experiment to measure J(CD-CA)' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34546 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 34546 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 34546 1 H 1 TSP 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34546 1 N 15 TSP 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34546 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 34546 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 3 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_3 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34546 1 2 '2D 1H-15N HSQC' . . . 34546 1 3 '2D 1H-15N HSQC' . . . 34546 1 4 '2D 1H-15N HSQC' . . . 34546 1 5 '2D 1H-15N HSQC' . . . 34546 1 6 '2D 1H-13C HSQC aliphatic' . . . 34546 1 7 '2D 1H-13C HSQC aromatic' . . . 34546 1 8 '3D HNCO' . . . 34546 1 9 '3D HN(CA)CO' . . . 34546 1 10 '3D HNCA' . . . 34546 1 11 '3D HN(CO)CA' . . . 34546 1 12 '3D HNCACB' . . . 34546 1 13 '3D HNHA' . . . 34546 1 14 '3D HNHB' . . . 34546 1 15 '3D HCCH-TOCSY' . . . 34546 1 16 '3D 1H-15N TOCSY' . . . 34546 1 17 '3D 1H-15N NOESY' . . . 34546 1 18 '3D 1H-13C NOESY aliphatic' . . . 34546 1 19 '3D 1H-13C NOESY aromatic' . . . 34546 1 20 '2D 1H-15N TROSY-HSQC' . . . 34546 1 21 '2D 1H-13C HSQC aliphatic, constant time' . . . 34546 1 22 '2D 1H-13C HSQC aromatic, constant time' . . . 34546 1 23 '2D 1H-13C{15N} spin-echo difference CT-HSQC, experiment to measure J(C-N)' . . . 34546 1 24 '2D 1H-13C{13CO} spin-echo difference CT-HSQC, experiment to measure J(C-CO)' . . . 34546 1 25 '2D 1H-13C{13CA} spin-echo difference CT-HSQC, experiment to measure J(CD-CA)' . . . 34546 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 HA H 1 4.131 0.02 . 1 . . . . A 1 MET HA . 34546 1 2 . 1 . 1 1 1 MET HB2 H 1 2.393 0.02 . 1 . . . . A 1 MET HB2 . 34546 1 3 . 1 . 1 1 1 MET HB3 H 1 2.393 0.02 . 1 . . . . A 1 MET HB3 . 34546 1 4 . 1 . 1 1 1 MET HG2 H 1 2.616 0.02 . 1 . . . . A 1 MET HG2 . 34546 1 5 . 1 . 1 1 1 MET HG3 H 1 2.616 0.02 . 1 . . . . A 1 MET HG3 . 34546 1 6 . 1 . 1 1 1 MET HE1 H 1 2.051 0.02 . 1 . . . . A 1 MET HE1 . 34546 1 7 . 1 . 1 1 1 MET HE2 H 1 2.051 0.02 . 1 . . . . A 1 MET HE2 . 34546 1 8 . 1 . 1 1 1 MET HE3 H 1 2.051 0.02 . 1 . . . . A 1 MET HE3 . 34546 1 9 . 1 . 1 1 1 MET CA C 13 55.002 0.3 . 1 . . . . A 1 MET CA . 34546 1 10 . 1 . 1 1 1 MET CB C 13 34.044 0.3 . 1 . . . . A 1 MET CB . 34546 1 11 . 1 . 1 1 1 MET CG C 13 31.061 0.3 . 1 . . . . A 1 MET CG . 34546 1 12 . 1 . 1 1 1 MET CE C 13 16.976 0.3 . 1 . . . . A 1 MET CE . 34546 1 13 . 1 . 1 2 2 LYS HA H 1 4.568 0.02 . 1 . . . . A 2 LYS HA . 34546 1 14 . 1 . 1 2 2 LYS HB2 H 1 1.747 0.02 . 2 . . . . A 2 LYS HB2 . 34546 1 15 . 1 . 1 2 2 LYS HB3 H 1 1.849 0.02 . 2 . . . . A 2 LYS HB3 . 34546 1 16 . 1 . 1 2 2 LYS HG2 H 1 1.516 0.02 . 1 . . . . A 2 LYS HG2 . 34546 1 17 . 1 . 1 2 2 LYS HG3 H 1 1.516 0.02 . 1 . . . . A 2 LYS HG3 . 34546 1 18 . 1 . 1 2 2 LYS HD2 H 1 1.720 0.02 . 1 . . . . A 2 LYS HD2 . 34546 1 19 . 1 . 1 2 2 LYS HD3 H 1 1.720 0.02 . 1 . . . . A 2 LYS HD3 . 34546 1 20 . 1 . 1 2 2 LYS HE2 H 1 3.021 0.02 . 1 . . . . A 2 LYS HE2 . 34546 1 21 . 1 . 1 2 2 LYS HE3 H 1 3.021 0.02 . 1 . . . . A 2 LYS HE3 . 34546 1 22 . 1 . 1 2 2 LYS CA C 13 54.869 0.3 . 1 . . . . A 2 LYS CA . 34546 1 23 . 1 . 1 2 2 LYS CB C 13 32.209 0.3 . 1 . . . . A 2 LYS CB . 34546 1 24 . 1 . 1 2 2 LYS CG C 13 24.702 0.3 . 1 . . . . A 2 LYS CG . 34546 1 25 . 1 . 1 2 2 LYS CD C 13 29.359 0.3 . 1 . . . . A 2 LYS CD . 34546 1 26 . 1 . 1 2 2 LYS CE C 13 42.162 0.3 . 1 . . . . A 2 LYS CE . 34546 1 27 . 1 . 1 3 3 PRO HA H 1 4.290 0.02 . 1 . . . . A 3 PRO HA . 34546 1 28 . 1 . 1 3 3 PRO HB2 H 1 1.761 0.02 . 1 . . . . A 3 PRO HB2 . 34546 1 29 . 1 . 1 3 3 PRO HB3 H 1 2.240 0.02 . 1 . . . . A 3 PRO HB3 . 34546 1 30 . 1 . 1 3 3 PRO HG2 H 1 2.028 0.02 . 1 . . . . A 3 PRO HG2 . 34546 1 31 . 1 . 1 3 3 PRO HG3 H 1 1.976 0.02 . 1 . . . . A 3 PRO HG3 . 34546 1 32 . 1 . 1 3 3 PRO HD2 H 1 3.562 0.02 . 1 . . . . A 3 PRO HD2 . 34546 1 33 . 1 . 1 3 3 PRO HD3 H 1 3.796 0.02 . 1 . . . . A 3 PRO HD3 . 34546 1 34 . 1 . 1 3 3 PRO C C 13 176.650 0.3 . 1 . . . . A 3 PRO C . 34546 1 35 . 1 . 1 3 3 PRO CA C 13 62.745 0.3 . 1 . . . . A 3 PRO CA . 34546 1 36 . 1 . 1 3 3 PRO CB C 13 32.069 0.3 . 1 . . . . A 3 PRO CB . 34546 1 37 . 1 . 1 3 3 PRO CG C 13 27.517 0.3 . 1 . . . . A 3 PRO CG . 34546 1 38 . 1 . 1 3 3 PRO CD C 13 50.352 0.3 . 1 . . . . A 3 PRO CD . 34546 1 39 . 1 . 1 4 4 LEU H H 1 8.253 0.02 . 1 . . . . A 4 LEU H . 34546 1 40 . 1 . 1 4 4 LEU HA H 1 4.453 0.02 . 1 . . . . A 4 LEU HA . 34546 1 41 . 1 . 1 4 4 LEU HB2 H 1 1.549 0.02 . 1 . . . . A 4 LEU HB2 . 34546 1 42 . 1 . 1 4 4 LEU HB3 H 1 1.549 0.02 . 1 . . . . A 4 LEU HB3 . 34546 1 43 . 1 . 1 4 4 LEU HG H 1 1.824 0.02 . 1 . . . . A 4 LEU HG . 34546 1 44 . 1 . 1 4 4 LEU HD11 H 1 0.849 0.02 . 2 . . . . A 4 LEU HD11 . 34546 1 45 . 1 . 1 4 4 LEU HD12 H 1 0.849 0.02 . 2 . . . . A 4 LEU HD12 . 34546 1 46 . 1 . 1 4 4 LEU HD13 H 1 0.849 0.02 . 2 . . . . A 4 LEU HD13 . 34546 1 47 . 1 . 1 4 4 LEU HD21 H 1 0.906 0.02 . 2 . . . . A 4 LEU HD21 . 34546 1 48 . 1 . 1 4 4 LEU HD22 H 1 0.906 0.02 . 2 . . . . A 4 LEU HD22 . 34546 1 49 . 1 . 1 4 4 LEU HD23 H 1 0.906 0.02 . 2 . . . . A 4 LEU HD23 . 34546 1 50 . 1 . 1 4 4 LEU C C 13 175.685 0.3 . 1 . . . . A 4 LEU C . 34546 1 51 . 1 . 1 4 4 LEU CA C 13 52.984 0.3 . 1 . . . . A 4 LEU CA . 34546 1 52 . 1 . 1 4 4 LEU CB C 13 41.943 0.3 . 1 . . . . A 4 LEU CB . 34546 1 53 . 1 . 1 4 4 LEU CG C 13 26.955 0.3 . 1 . . . . A 4 LEU CG . 34546 1 54 . 1 . 1 4 4 LEU CD1 C 13 25.968 0.3 . 2 . . . . A 4 LEU CD1 . 34546 1 55 . 1 . 1 4 4 LEU CD2 C 13 24.302 0.3 . 2 . . . . A 4 LEU CD2 . 34546 1 56 . 1 . 1 4 4 LEU N N 15 122.784 0.3 . 1 . . . . A 4 LEU N . 34546 1 57 . 1 . 1 5 5 PRO HA H 1 4.319 0.02 . 1 . . . . A 5 PRO HA . 34546 1 58 . 1 . 1 5 5 PRO HB2 H 1 1.295 0.02 . 1 . . . . A 5 PRO HB2 . 34546 1 59 . 1 . 1 5 5 PRO HB3 H 1 1.905 0.02 . 1 . . . . A 5 PRO HB3 . 34546 1 60 . 1 . 1 5 5 PRO HG2 H 1 1.504 0.02 . 1 . . . . A 5 PRO HG2 . 34546 1 61 . 1 . 1 5 5 PRO HG3 H 1 1.329 0.02 . 1 . . . . A 5 PRO HG3 . 34546 1 62 . 1 . 1 5 5 PRO HD2 H 1 3.359 0.02 . 1 . . . . A 5 PRO HD2 . 34546 1 63 . 1 . 1 5 5 PRO HD3 H 1 3.749 0.02 . 1 . . . . A 5 PRO HD3 . 34546 1 64 . 1 . 1 5 5 PRO C C 13 176.141 0.3 . 1 . . . . A 5 PRO C . 34546 1 65 . 1 . 1 5 5 PRO CA C 13 62.292 0.3 . 1 . . . . A 5 PRO CA . 34546 1 66 . 1 . 1 5 5 PRO CB C 13 31.196 0.3 . 1 . . . . A 5 PRO CB . 34546 1 67 . 1 . 1 5 5 PRO CG C 13 27.020 0.3 . 1 . . . . A 5 PRO CG . 34546 1 68 . 1 . 1 5 5 PRO CD C 13 50.182 0.3 . 1 . . . . A 5 PRO CD . 34546 1 69 . 1 . 1 6 6 VAL H H 1 7.961 0.02 . 1 . . . . A 6 VAL H . 34546 1 70 . 1 . 1 6 6 VAL HA H 1 3.752 0.02 . 1 . . . . A 6 VAL HA . 34546 1 71 . 1 . 1 6 6 VAL HB H 1 1.883 0.02 . 1 . . . . A 6 VAL HB . 34546 1 72 . 1 . 1 6 6 VAL HG11 H 1 0.908 0.02 . 1 . . . . A 6 VAL HG11 . 34546 1 73 . 1 . 1 6 6 VAL HG12 H 1 0.908 0.02 . 1 . . . . A 6 VAL HG12 . 34546 1 74 . 1 . 1 6 6 VAL HG13 H 1 0.908 0.02 . 1 . . . . A 6 VAL HG13 . 34546 1 75 . 1 . 1 6 6 VAL HG21 H 1 1.016 0.02 . 1 . . . . A 6 VAL HG21 . 34546 1 76 . 1 . 1 6 6 VAL HG22 H 1 1.016 0.02 . 1 . . . . A 6 VAL HG22 . 34546 1 77 . 1 . 1 6 6 VAL HG23 H 1 1.016 0.02 . 1 . . . . A 6 VAL HG23 . 34546 1 78 . 1 . 1 6 6 VAL C C 13 176.116 0.3 . 1 . . . . A 6 VAL C . 34546 1 79 . 1 . 1 6 6 VAL CA C 13 63.808 0.3 . 1 . . . . A 6 VAL CA . 34546 1 80 . 1 . 1 6 6 VAL CB C 13 32.004 0.3 . 1 . . . . A 6 VAL CB . 34546 1 81 . 1 . 1 6 6 VAL CG1 C 13 21.031 0.3 . 1 . . . . A 6 VAL CG1 . 34546 1 82 . 1 . 1 6 6 VAL CG2 C 13 21.803 0.3 . 1 . . . . A 6 VAL CG2 . 34546 1 83 . 1 . 1 6 6 VAL N N 15 121.465 0.3 . 1 . . . . A 6 VAL N . 34546 1 84 . 1 . 1 7 7 LEU H H 1 8.371 0.02 . 1 . . . . A 7 LEU H . 34546 1 85 . 1 . 1 7 7 LEU HA H 1 4.378 0.02 . 1 . . . . A 7 LEU HA . 34546 1 86 . 1 . 1 7 7 LEU HB2 H 1 1.632 0.02 . 1 . . . . A 7 LEU HB2 . 34546 1 87 . 1 . 1 7 7 LEU HB3 H 1 1.387 0.02 . 1 . . . . A 7 LEU HB3 . 34546 1 88 . 1 . 1 7 7 LEU HG H 1 1.849 0.02 . 1 . . . . A 7 LEU HG . 34546 1 89 . 1 . 1 7 7 LEU HD11 H 1 0.729 0.02 . 1 . . . . A 7 LEU HD11 . 34546 1 90 . 1 . 1 7 7 LEU HD12 H 1 0.729 0.02 . 1 . . . . A 7 LEU HD12 . 34546 1 91 . 1 . 1 7 7 LEU HD13 H 1 0.729 0.02 . 1 . . . . A 7 LEU HD13 . 34546 1 92 . 1 . 1 7 7 LEU HD21 H 1 0.897 0.02 . 1 . . . . A 7 LEU HD21 . 34546 1 93 . 1 . 1 7 7 LEU HD22 H 1 0.897 0.02 . 1 . . . . A 7 LEU HD22 . 34546 1 94 . 1 . 1 7 7 LEU HD23 H 1 0.897 0.02 . 1 . . . . A 7 LEU HD23 . 34546 1 95 . 1 . 1 7 7 LEU C C 13 176.568 0.3 . 1 . . . . A 7 LEU C . 34546 1 96 . 1 . 1 7 7 LEU CA C 13 55.280 0.3 . 1 . . . . A 7 LEU CA . 34546 1 97 . 1 . 1 7 7 LEU CB C 13 40.972 0.3 . 1 . . . . A 7 LEU CB . 34546 1 98 . 1 . 1 7 7 LEU CG C 13 27.685 0.3 . 1 . . . . A 7 LEU CG . 34546 1 99 . 1 . 1 7 7 LEU CD1 C 13 24.431 0.3 . 1 . . . . A 7 LEU CD1 . 34546 1 100 . 1 . 1 7 7 LEU CD2 C 13 25.723 0.3 . 1 . . . . A 7 LEU CD2 . 34546 1 101 . 1 . 1 7 7 LEU N N 15 126.442 0.3 . 1 . . . . A 7 LEU N . 34546 1 102 . 1 . 1 8 8 ASN H H 1 8.544 0.02 . 1 . . . . A 8 ASN H . 34546 1 103 . 1 . 1 8 8 ASN HA H 1 4.846 0.02 . 1 . . . . A 8 ASN HA . 34546 1 104 . 1 . 1 8 8 ASN HB2 H 1 3.308 0.02 . 1 . . . . A 8 ASN HB2 . 34546 1 105 . 1 . 1 8 8 ASN HB3 H 1 2.864 0.02 . 1 . . . . A 8 ASN HB3 . 34546 1 106 . 1 . 1 8 8 ASN HD21 H 1 7.727 0.02 . 1 . . . . A 8 ASN HD21 . 34546 1 107 . 1 . 1 8 8 ASN HD22 H 1 7.420 0.02 . 1 . . . . A 8 ASN HD22 . 34546 1 108 . 1 . 1 8 8 ASN C C 13 175.623 0.3 . 1 . . . . A 8 ASN C . 34546 1 109 . 1 . 1 8 8 ASN CA C 13 51.583 0.3 . 1 . . . . A 8 ASN CA . 34546 1 110 . 1 . 1 8 8 ASN CB C 13 40.255 0.3 . 1 . . . . A 8 ASN CB . 34546 1 111 . 1 . 1 8 8 ASN CG C 13 177.286 0.3 . 1 . . . . A 8 ASN CG . 34546 1 112 . 1 . 1 8 8 ASN N N 15 121.418 0.3 . 1 . . . . A 8 ASN N . 34546 1 113 . 1 . 1 8 8 ASN ND2 N 15 114.063 0.3 . 1 . . . . A 8 ASN ND2 . 34546 1 114 . 1 . 1 9 9 GLN H H 1 8.583 0.02 . 1 . . . . A 9 GLN H . 34546 1 115 . 1 . 1 9 9 GLN HA H 1 3.729 0.02 . 1 . . . . A 9 GLN HA . 34546 1 116 . 1 . 1 9 9 GLN HB2 H 1 2.076 0.02 . 1 . . . . A 9 GLN HB2 . 34546 1 117 . 1 . 1 9 9 GLN HB3 H 1 2.147 0.02 . 1 . . . . A 9 GLN HB3 . 34546 1 118 . 1 . 1 9 9 GLN HG2 H 1 2.370 0.02 . 1 . . . . A 9 GLN HG2 . 34546 1 119 . 1 . 1 9 9 GLN HG3 H 1 2.370 0.02 . 1 . . . . A 9 GLN HG3 . 34546 1 120 . 1 . 1 9 9 GLN HE21 H 1 7.663 0.02 . 1 . . . . A 9 GLN HE21 . 34546 1 121 . 1 . 1 9 9 GLN HE22 H 1 6.934 0.02 . 1 . . . . A 9 GLN HE22 . 34546 1 122 . 1 . 1 9 9 GLN C C 13 174.917 0.3 . 1 . . . . A 9 GLN C . 34546 1 123 . 1 . 1 9 9 GLN CA C 13 59.023 0.3 . 1 . . . . A 9 GLN CA . 34546 1 124 . 1 . 1 9 9 GLN CB C 13 27.888 0.3 . 1 . . . . A 9 GLN CB . 34546 1 125 . 1 . 1 9 9 GLN CG C 13 32.878 0.3 . 1 . . . . A 9 GLN CG . 34546 1 126 . 1 . 1 9 9 GLN CD C 13 180.690 0.3 . 1 . . . . A 9 GLN CD . 34546 1 127 . 1 . 1 9 9 GLN N N 15 114.733 0.3 . 1 . . . . A 9 GLN N . 34546 1 128 . 1 . 1 9 9 GLN NE2 N 15 113.062 0.3 . 1 . . . . A 9 GLN NE2 . 34546 1 129 . 1 . 1 10 10 ASP H H 1 8.162 0.02 . 1 . . . . A 10 ASP H . 34546 1 130 . 1 . 1 10 10 ASP HA H 1 4.902 0.02 . 1 . . . . A 10 ASP HA . 34546 1 131 . 1 . 1 10 10 ASP HB2 H 1 2.993 0.02 . 1 . . . . A 10 ASP HB2 . 34546 1 132 . 1 . 1 10 10 ASP HB3 H 1 2.743 0.02 . 1 . . . . A 10 ASP HB3 . 34546 1 133 . 1 . 1 10 10 ASP C C 13 175.526 0.3 . 1 . . . . A 10 ASP C . 34546 1 134 . 1 . 1 10 10 ASP CA C 13 54.652 0.3 . 1 . . . . A 10 ASP CA . 34546 1 135 . 1 . 1 10 10 ASP CB C 13 41.949 0.3 . 1 . . . . A 10 ASP CB . 34546 1 136 . 1 . 1 10 10 ASP N N 15 118.911 0.3 . 1 . . . . A 10 ASP N . 34546 1 137 . 1 . 1 11 11 THR H H 1 7.832 0.02 . 1 . . . . A 11 THR H . 34546 1 138 . 1 . 1 11 11 THR HA H 1 5.009 0.02 . 1 . . . . A 11 THR HA . 34546 1 139 . 1 . 1 11 11 THR HB H 1 4.221 0.02 . 1 . . . . A 11 THR HB . 34546 1 140 . 1 . 1 11 11 THR HG1 H 1 4.540 0.02 . 1 . . . . A 11 THR HG1 . 34546 1 141 . 1 . 1 11 11 THR HG21 H 1 1.069 0.02 . 1 . . . . A 11 THR HG21 . 34546 1 142 . 1 . 1 11 11 THR HG22 H 1 1.069 0.02 . 1 . . . . A 11 THR HG22 . 34546 1 143 . 1 . 1 11 11 THR HG23 H 1 1.069 0.02 . 1 . . . . A 11 THR HG23 . 34546 1 144 . 1 . 1 11 11 THR C C 13 174.467 0.3 . 1 . . . . A 11 THR C . 34546 1 145 . 1 . 1 11 11 THR CA C 13 63.537 0.3 . 1 . . . . A 11 THR CA . 34546 1 146 . 1 . 1 11 11 THR CB C 13 69.600 0.3 . 1 . . . . A 11 THR CB . 34546 1 147 . 1 . 1 11 11 THR CG2 C 13 23.543 0.3 . 1 . . . . A 11 THR CG2 . 34546 1 148 . 1 . 1 11 11 THR N N 15 117.106 0.3 . 1 . . . . A 11 THR N . 34546 1 149 . 1 . 1 12 12 VAL H H 1 9.064 0.02 . 1 . . . . A 12 VAL H . 34546 1 150 . 1 . 1 12 12 VAL HA H 1 4.763 0.02 . 1 . . . . A 12 VAL HA . 34546 1 151 . 1 . 1 12 12 VAL HB H 1 2.046 0.02 . 1 . . . . A 12 VAL HB . 34546 1 152 . 1 . 1 12 12 VAL HG11 H 1 0.906 0.02 . 1 . . . . A 12 VAL HG11 . 34546 1 153 . 1 . 1 12 12 VAL HG12 H 1 0.906 0.02 . 1 . . . . A 12 VAL HG12 . 34546 1 154 . 1 . 1 12 12 VAL HG13 H 1 0.906 0.02 . 1 . . . . A 12 VAL HG13 . 34546 1 155 . 1 . 1 12 12 VAL HG21 H 1 1.044 0.02 . 1 . . . . A 12 VAL HG21 . 34546 1 156 . 1 . 1 12 12 VAL HG22 H 1 1.044 0.02 . 1 . . . . A 12 VAL HG22 . 34546 1 157 . 1 . 1 12 12 VAL HG23 H 1 1.044 0.02 . 1 . . . . A 12 VAL HG23 . 34546 1 158 . 1 . 1 12 12 VAL C C 13 174.087 0.3 . 1 . . . . A 12 VAL C . 34546 1 159 . 1 . 1 12 12 VAL CA C 13 62.019 0.3 . 1 . . . . A 12 VAL CA . 34546 1 160 . 1 . 1 12 12 VAL CB C 13 35.892 0.3 . 1 . . . . A 12 VAL CB . 34546 1 161 . 1 . 1 12 12 VAL CG1 C 13 21.516 0.3 . 1 . . . . A 12 VAL CG1 . 34546 1 162 . 1 . 1 12 12 VAL CG2 C 13 21.779 0.3 . 1 . . . . A 12 VAL CG2 . 34546 1 163 . 1 . 1 12 12 VAL N N 15 129.254 0.3 . 1 . . . . A 12 VAL N . 34546 1 164 . 1 . 1 13 13 ILE H H 1 9.018 0.02 . 1 . . . . A 13 ILE H . 34546 1 165 . 1 . 1 13 13 ILE HA H 1 5.314 0.02 . 1 . . . . A 13 ILE HA . 34546 1 166 . 1 . 1 13 13 ILE HB H 1 1.702 0.02 . 1 . . . . A 13 ILE HB . 34546 1 167 . 1 . 1 13 13 ILE HG12 H 1 1.061 0.02 . 2 . . . . A 13 ILE HG12 . 34546 1 168 . 1 . 1 13 13 ILE HG13 H 1 1.543 0.02 . 2 . . . . A 13 ILE HG13 . 34546 1 169 . 1 . 1 13 13 ILE HG21 H 1 0.805 0.02 . 1 . . . . A 13 ILE HG21 . 34546 1 170 . 1 . 1 13 13 ILE HG22 H 1 0.805 0.02 . 1 . . . . A 13 ILE HG22 . 34546 1 171 . 1 . 1 13 13 ILE HG23 H 1 0.805 0.02 . 1 . . . . A 13 ILE HG23 . 34546 1 172 . 1 . 1 13 13 ILE HD11 H 1 0.771 0.02 . 1 . . . . A 13 ILE HD11 . 34546 1 173 . 1 . 1 13 13 ILE HD12 H 1 0.771 0.02 . 1 . . . . A 13 ILE HD12 . 34546 1 174 . 1 . 1 13 13 ILE HD13 H 1 0.771 0.02 . 1 . . . . A 13 ILE HD13 . 34546 1 175 . 1 . 1 13 13 ILE C C 13 174.237 0.3 . 1 . . . . A 13 ILE C . 34546 1 176 . 1 . 1 13 13 ILE CA C 13 59.127 0.3 . 1 . . . . A 13 ILE CA . 34546 1 177 . 1 . 1 13 13 ILE CB C 13 41.341 0.3 . 1 . . . . A 13 ILE CB . 34546 1 178 . 1 . 1 13 13 ILE CG1 C 13 27.921 0.3 . 1 . . . . A 13 ILE CG1 . 34546 1 179 . 1 . 1 13 13 ILE CG2 C 13 17.564 0.3 . 1 . . . . A 13 ILE CG2 . 34546 1 180 . 1 . 1 13 13 ILE CD1 C 13 14.719 0.3 . 1 . . . . A 13 ILE CD1 . 34546 1 181 . 1 . 1 13 13 ILE N N 15 125.069 0.3 . 1 . . . . A 13 ILE N . 34546 1 182 . 1 . 1 14 14 GLU H H 1 9.255 0.02 . 1 . . . . A 14 GLU H . 34546 1 183 . 1 . 1 14 14 GLU HA H 1 5.504 0.02 . 1 . . . . A 14 GLU HA . 34546 1 184 . 1 . 1 14 14 GLU HB2 H 1 1.932 0.02 . 2 . . . . A 14 GLU HB2 . 34546 1 185 . 1 . 1 14 14 GLU HB3 H 1 2.064 0.02 . 2 . . . . A 14 GLU HB3 . 34546 1 186 . 1 . 1 14 14 GLU HG2 H 1 2.091 0.02 . 2 . . . . A 14 GLU HG2 . 34546 1 187 . 1 . 1 14 14 GLU HG3 H 1 2.245 0.02 . 2 . . . . A 14 GLU HG3 . 34546 1 188 . 1 . 1 14 14 GLU C C 13 175.323 0.3 . 1 . . . . A 14 GLU C . 34546 1 189 . 1 . 1 14 14 GLU CA C 13 55.083 0.3 . 1 . . . . A 14 GLU CA . 34546 1 190 . 1 . 1 14 14 GLU CB C 13 33.187 0.3 . 1 . . . . A 14 GLU CB . 34546 1 191 . 1 . 1 14 14 GLU CG C 13 37.299 0.3 . 1 . . . . A 14 GLU CG . 34546 1 192 . 1 . 1 14 14 GLU N N 15 125.981 0.3 . 1 . . . . A 14 GLU N . 34546 1 193 . 1 . 1 15 15 LEU H H 1 9.211 0.02 . 1 . . . . A 15 LEU H . 34546 1 194 . 1 . 1 15 15 LEU HA H 1 5.713 0.02 . 1 . . . . A 15 LEU HA . 34546 1 195 . 1 . 1 15 15 LEU HB2 H 1 1.754 0.02 . 2 . . . . A 15 LEU HB2 . 34546 1 196 . 1 . 1 15 15 LEU HB3 H 1 1.805 0.02 . 2 . . . . A 15 LEU HB3 . 34546 1 197 . 1 . 1 15 15 LEU HG H 1 1.806 0.02 . 1 . . . . A 15 LEU HG . 34546 1 198 . 1 . 1 15 15 LEU HD11 H 1 0.926 0.02 . 2 . . . . A 15 LEU HD11 . 34546 1 199 . 1 . 1 15 15 LEU HD12 H 1 0.926 0.02 . 2 . . . . A 15 LEU HD12 . 34546 1 200 . 1 . 1 15 15 LEU HD13 H 1 0.926 0.02 . 2 . . . . A 15 LEU HD13 . 34546 1 201 . 1 . 1 15 15 LEU HD21 H 1 0.940 0.02 . 2 . . . . A 15 LEU HD21 . 34546 1 202 . 1 . 1 15 15 LEU HD22 H 1 0.940 0.02 . 2 . . . . A 15 LEU HD22 . 34546 1 203 . 1 . 1 15 15 LEU HD23 H 1 0.940 0.02 . 2 . . . . A 15 LEU HD23 . 34546 1 204 . 1 . 1 15 15 LEU C C 13 174.590 0.3 . 1 . . . . A 15 LEU C . 34546 1 205 . 1 . 1 15 15 LEU CA C 13 54.023 0.3 . 1 . . . . A 15 LEU CA . 34546 1 206 . 1 . 1 15 15 LEU CB C 13 47.131 0.3 . 1 . . . . A 15 LEU CB . 34546 1 207 . 1 . 1 15 15 LEU CG C 13 28.100 0.3 . 1 . . . . A 15 LEU CG . 34546 1 208 . 1 . 1 15 15 LEU CD1 C 13 26.304 0.3 . 2 . . . . A 15 LEU CD1 . 34546 1 209 . 1 . 1 15 15 LEU CD2 C 13 26.820 0.3 . 2 . . . . A 15 LEU CD2 . 34546 1 210 . 1 . 1 15 15 LEU N N 15 124.122 0.3 . 1 . . . . A 15 LEU N . 34546 1 211 . 1 . 1 16 16 ALA H H 1 8.757 0.02 . 1 . . . . A 16 ALA H . 34546 1 212 . 1 . 1 16 16 ALA HA H 1 5.009 0.02 . 1 . . . . A 16 ALA HA . 34546 1 213 . 1 . 1 16 16 ALA HB1 H 1 1.547 0.02 . 1 . . . . A 16 ALA HB1 . 34546 1 214 . 1 . 1 16 16 ALA HB2 H 1 1.547 0.02 . 1 . . . . A 16 ALA HB2 . 34546 1 215 . 1 . 1 16 16 ALA HB3 H 1 1.547 0.02 . 1 . . . . A 16 ALA HB3 . 34546 1 216 . 1 . 1 16 16 ALA C C 13 174.731 0.3 . 1 . . . . A 16 ALA C . 34546 1 217 . 1 . 1 16 16 ALA CA C 13 51.328 0.3 . 1 . . . . A 16 ALA CA . 34546 1 218 . 1 . 1 16 16 ALA CB C 13 23.918 0.3 . 1 . . . . A 16 ALA CB . 34546 1 219 . 1 . 1 16 16 ALA N N 15 124.340 0.3 . 1 . . . . A 16 ALA N . 34546 1 220 . 1 . 1 17 17 ARG H H 1 8.374 0.02 . 1 . . . . A 17 ARG H . 34546 1 221 . 1 . 1 17 17 ARG HA H 1 4.336 0.02 . 1 . . . . A 17 ARG HA . 34546 1 222 . 1 . 1 17 17 ARG HB2 H 1 0.118 0.02 . 2 . . . . A 17 ARG HB2 . 34546 1 223 . 1 . 1 17 17 ARG HB3 H 1 1.297 0.02 . 2 . . . . A 17 ARG HB3 . 34546 1 224 . 1 . 1 17 17 ARG HG2 H 1 0.054 0.02 . 2 . . . . A 17 ARG HG2 . 34546 1 225 . 1 . 1 17 17 ARG HG3 H 1 0.498 0.02 . 2 . . . . A 17 ARG HG3 . 34546 1 226 . 1 . 1 17 17 ARG HD2 H 1 1.914 0.02 . 2 . . . . A 17 ARG HD2 . 34546 1 227 . 1 . 1 17 17 ARG HD3 H 1 2.130 0.02 . 2 . . . . A 17 ARG HD3 . 34546 1 228 . 1 . 1 17 17 ARG HE H 1 6.795 0.02 . 1 . . . . A 17 ARG HE . 34546 1 229 . 1 . 1 17 17 ARG C C 13 174.908 0.3 . 1 . . . . A 17 ARG C . 34546 1 230 . 1 . 1 17 17 ARG CA C 13 55.194 0.3 . 1 . . . . A 17 ARG CA . 34546 1 231 . 1 . 1 17 17 ARG CB C 13 31.751 0.3 . 1 . . . . A 17 ARG CB . 34546 1 232 . 1 . 1 17 17 ARG CG C 13 26.234 0.3 . 1 . . . . A 17 ARG CG . 34546 1 233 . 1 . 1 17 17 ARG CD C 13 42.837 0.3 . 1 . . . . A 17 ARG CD . 34546 1 234 . 1 . 1 17 17 ARG CZ C 13 159.494 0.3 . 1 . . . . A 17 ARG CZ . 34546 1 235 . 1 . 1 17 17 ARG N N 15 122.482 0.3 . 1 . . . . A 17 ARG N . 34546 1 236 . 1 . 1 17 17 ARG NE N 15 83.881 0.3 . 1 . . . . A 17 ARG NE . 34546 1 237 . 1 . 1 18 18 GLU H H 1 8.535 0.02 . 1 . . . . A 18 GLU H . 34546 1 238 . 1 . 1 18 18 GLU HA H 1 4.372 0.02 . 1 . . . . A 18 GLU HA . 34546 1 239 . 1 . 1 18 18 GLU HB2 H 1 1.286 0.02 . 2 . . . . A 18 GLU HB2 . 34546 1 240 . 1 . 1 18 18 GLU HB3 H 1 1.704 0.02 . 2 . . . . A 18 GLU HB3 . 34546 1 241 . 1 . 1 18 18 GLU HG2 H 1 1.973 0.02 . 1 . . . . A 18 GLU HG2 . 34546 1 242 . 1 . 1 18 18 GLU HG3 H 1 1.973 0.02 . 1 . . . . A 18 GLU HG3 . 34546 1 243 . 1 . 1 18 18 GLU C C 13 174.953 0.3 . 1 . . . . A 18 GLU C . 34546 1 244 . 1 . 1 18 18 GLU CA C 13 54.788 0.3 . 1 . . . . A 18 GLU CA . 34546 1 245 . 1 . 1 18 18 GLU CB C 13 32.958 0.3 . 1 . . . . A 18 GLU CB . 34546 1 246 . 1 . 1 18 18 GLU CG C 13 35.833 0.3 . 1 . . . . A 18 GLU CG . 34546 1 247 . 1 . 1 18 18 GLU N N 15 125.084 0.3 . 1 . . . . A 18 GLU N . 34546 1 248 . 1 . 1 19 19 GLY H H 1 7.239 0.02 . 1 . . . . A 19 GLY H . 34546 1 249 . 1 . 1 19 19 GLY HA2 H 1 3.787 0.02 . 2 . . . . A 19 GLY HA2 . 34546 1 250 . 1 . 1 19 19 GLY HA3 H 1 4.187 0.02 . 2 . . . . A 19 GLY HA3 . 34546 1 251 . 1 . 1 19 19 GLY C C 13 174.104 0.3 . 1 . . . . A 19 GLY C . 34546 1 252 . 1 . 1 19 19 GLY CA C 13 44.706 0.3 . 1 . . . . A 19 GLY CA . 34546 1 253 . 1 . 1 19 19 GLY N N 15 106.910 0.3 . 1 . . . . A 19 GLY N . 34546 1 254 . 1 . 1 20 20 GLY H H 1 7.965 0.02 . 1 . . . . A 20 GLY H . 34546 1 255 . 1 . 1 20 20 GLY HA2 H 1 3.722 0.02 . 2 . . . . A 20 GLY HA2 . 34546 1 256 . 1 . 1 20 20 GLY HA3 H 1 4.016 0.02 . 2 . . . . A 20 GLY HA3 . 34546 1 257 . 1 . 1 20 20 GLY C C 13 174.069 0.3 . 1 . . . . A 20 GLY C . 34546 1 258 . 1 . 1 20 20 GLY CA C 13 44.805 0.3 . 1 . . . . A 20 GLY CA . 34546 1 259 . 1 . 1 20 20 GLY N N 15 107.123 0.3 . 1 . . . . A 20 GLY N . 34546 1 260 . 1 . 1 21 21 PHE H H 1 8.266 0.02 . 1 . . . . A 21 PHE H . 34546 1 261 . 1 . 1 21 21 PHE HA H 1 4.460 0.02 . 1 . . . . A 21 PHE HA . 34546 1 262 . 1 . 1 21 21 PHE HB2 H 1 3.005 0.02 . 1 . . . . A 21 PHE HB2 . 34546 1 263 . 1 . 1 21 21 PHE HB3 H 1 3.005 0.02 . 1 . . . . A 21 PHE HB3 . 34546 1 264 . 1 . 1 21 21 PHE HD1 H 1 7.198 0.02 . 1 . . . . A 21 PHE HD1 . 34546 1 265 . 1 . 1 21 21 PHE HD2 H 1 7.198 0.02 . 1 . . . . A 21 PHE HD2 . 34546 1 266 . 1 . 1 21 21 PHE C C 13 176.162 0.3 . 1 . . . . A 21 PHE C . 34546 1 267 . 1 . 1 21 21 PHE CA C 13 58.367 0.3 . 1 . . . . A 21 PHE CA . 34546 1 268 . 1 . 1 21 21 PHE CB C 13 39.404 0.3 . 1 . . . . A 21 PHE CB . 34546 1 269 . 1 . 1 21 21 PHE N N 15 119.727 0.3 . 1 . . . . A 21 PHE N . 34546 1 270 . 1 . 1 22 22 ALA H H 1 8.281 0.02 . 1 . . . . A 22 ALA H . 34546 1 271 . 1 . 1 22 22 ALA HA H 1 4.107 0.02 . 1 . . . . A 22 ALA HA . 34546 1 272 . 1 . 1 22 22 ALA HB1 H 1 1.204 0.02 . 1 . . . . A 22 ALA HB1 . 34546 1 273 . 1 . 1 22 22 ALA HB2 H 1 1.204 0.02 . 1 . . . . A 22 ALA HB2 . 34546 1 274 . 1 . 1 22 22 ALA HB3 H 1 1.204 0.02 . 1 . . . . A 22 ALA HB3 . 34546 1 275 . 1 . 1 22 22 ALA C C 13 176.665 0.3 . 1 . . . . A 22 ALA C . 34546 1 276 . 1 . 1 22 22 ALA CA C 13 52.478 0.3 . 1 . . . . A 22 ALA CA . 34546 1 277 . 1 . 1 22 22 ALA CB C 13 18.457 0.3 . 1 . . . . A 22 ALA CB . 34546 1 278 . 1 . 1 22 22 ALA N N 15 124.683 0.3 . 1 . . . . A 22 ALA N . 34546 1 279 . 1 . 1 23 23 PHE H H 1 7.789 0.02 . 1 . . . . A 23 PHE H . 34546 1 280 . 1 . 1 23 23 PHE HA H 1 4.413 0.02 . 1 . . . . A 23 PHE HA . 34546 1 281 . 1 . 1 23 23 PHE HB2 H 1 2.960 0.02 . 2 . . . . A 23 PHE HB2 . 34546 1 282 . 1 . 1 23 23 PHE HB3 H 1 3.061 0.02 . 2 . . . . A 23 PHE HB3 . 34546 1 283 . 1 . 1 23 23 PHE HD1 H 1 7.222 0.02 . 1 . . . . A 23 PHE HD1 . 34546 1 284 . 1 . 1 23 23 PHE HD2 H 1 7.222 0.02 . 1 . . . . A 23 PHE HD2 . 34546 1 285 . 1 . 1 23 23 PHE C C 13 175.270 0.3 . 1 . . . . A 23 PHE C . 34546 1 286 . 1 . 1 23 23 PHE CA C 13 58.601 0.3 . 1 . . . . A 23 PHE CA . 34546 1 287 . 1 . 1 23 23 PHE CB C 13 39.228 0.3 . 1 . . . . A 23 PHE CB . 34546 1 288 . 1 . 1 23 23 PHE CD1 C 13 131.954 0.3 . 1 . . . . A 23 PHE CD1 . 34546 1 289 . 1 . 1 23 23 PHE CD2 C 13 131.954 0.3 . 1 . . . . A 23 PHE CD2 . 34546 1 290 . 1 . 1 23 23 PHE N N 15 118.522 0.3 . 1 . . . . A 23 PHE N . 34546 1 291 . 1 . 1 24 24 ILE H H 1 7.401 0.02 . 1 . . . . A 24 ILE H . 34546 1 292 . 1 . 1 24 24 ILE HA H 1 4.407 0.02 . 1 . . . . A 24 ILE HA . 34546 1 293 . 1 . 1 24 24 ILE HB H 1 1.813 0.02 . 1 . . . . A 24 ILE HB . 34546 1 294 . 1 . 1 24 24 ILE HG12 H 1 1.079 0.02 . 2 . . . . A 24 ILE HG12 . 34546 1 295 . 1 . 1 24 24 ILE HG13 H 1 1.414 0.02 . 2 . . . . A 24 ILE HG13 . 34546 1 296 . 1 . 1 24 24 ILE HG21 H 1 0.907 0.02 . 1 . . . . A 24 ILE HG21 . 34546 1 297 . 1 . 1 24 24 ILE HG22 H 1 0.907 0.02 . 1 . . . . A 24 ILE HG22 . 34546 1 298 . 1 . 1 24 24 ILE HG23 H 1 0.907 0.02 . 1 . . . . A 24 ILE HG23 . 34546 1 299 . 1 . 1 24 24 ILE HD11 H 1 0.847 0.02 . 1 . . . . A 24 ILE HD11 . 34546 1 300 . 1 . 1 24 24 ILE HD12 H 1 0.847 0.02 . 1 . . . . A 24 ILE HD12 . 34546 1 301 . 1 . 1 24 24 ILE HD13 H 1 0.847 0.02 . 1 . . . . A 24 ILE HD13 . 34546 1 302 . 1 . 1 24 24 ILE C C 13 174.069 0.3 . 1 . . . . A 24 ILE C . 34546 1 303 . 1 . 1 24 24 ILE CA C 13 58.310 0.3 . 1 . . . . A 24 ILE CA . 34546 1 304 . 1 . 1 24 24 ILE CB C 13 39.249 0.3 . 1 . . . . A 24 ILE CB . 34546 1 305 . 1 . 1 24 24 ILE CG1 C 13 26.580 0.3 . 1 . . . . A 24 ILE CG1 . 34546 1 306 . 1 . 1 24 24 ILE CG2 C 13 17.630 0.3 . 1 . . . . A 24 ILE CG2 . 34546 1 307 . 1 . 1 24 24 ILE CD1 C 13 12.925 0.3 . 1 . . . . A 24 ILE CD1 . 34546 1 308 . 1 . 1 24 24 ILE N N 15 124.212 0.3 . 1 . . . . A 24 ILE N . 34546 1 309 . 1 . 1 25 25 PRO HA H 1 4.197 0.02 . 1 . . . . A 25 PRO HA . 34546 1 310 . 1 . 1 25 25 PRO HB2 H 1 1.920 0.02 . 1 . . . . A 25 PRO HB2 . 34546 1 311 . 1 . 1 25 25 PRO HB3 H 1 2.360 0.02 . 1 . . . . A 25 PRO HB3 . 34546 1 312 . 1 . 1 25 25 PRO HG2 H 1 1.996 0.02 . 2 . . . . A 25 PRO HG2 . 34546 1 313 . 1 . 1 25 25 PRO HG3 H 1 2.082 0.02 . 2 . . . . A 25 PRO HG3 . 34546 1 314 . 1 . 1 25 25 PRO HD2 H 1 3.686 0.02 . 1 . . . . A 25 PRO HD2 . 34546 1 315 . 1 . 1 25 25 PRO HD3 H 1 3.686 0.02 . 1 . . . . A 25 PRO HD3 . 34546 1 316 . 1 . 1 25 25 PRO C C 13 177.744 0.3 . 1 . . . . A 25 PRO C . 34546 1 317 . 1 . 1 25 25 PRO CA C 13 64.594 0.3 . 1 . . . . A 25 PRO CA . 34546 1 318 . 1 . 1 25 25 PRO CB C 13 32.059 0.3 . 1 . . . . A 25 PRO CB . 34546 1 319 . 1 . 1 25 25 PRO CG C 13 27.416 0.3 . 1 . . . . A 25 PRO CG . 34546 1 320 . 1 . 1 25 25 PRO CD C 13 50.952 0.3 . 1 . . . . A 25 PRO CD . 34546 1 321 . 1 . 1 26 26 LYS H H 1 8.260 0.02 . 1 . . . . A 26 LYS H . 34546 1 322 . 1 . 1 26 26 LYS HA H 1 4.239 0.02 . 1 . . . . A 26 LYS HA . 34546 1 323 . 1 . 1 26 26 LYS HB2 H 1 1.844 0.02 . 1 . . . . A 26 LYS HB2 . 34546 1 324 . 1 . 1 26 26 LYS HB3 H 1 1.844 0.02 . 1 . . . . A 26 LYS HB3 . 34546 1 325 . 1 . 1 26 26 LYS HG2 H 1 1.434 0.02 . 1 . . . . A 26 LYS HG2 . 34546 1 326 . 1 . 1 26 26 LYS HG3 H 1 1.434 0.02 . 1 . . . . A 26 LYS HG3 . 34546 1 327 . 1 . 1 26 26 LYS HD2 H 1 1.695 0.02 . 1 . . . . A 26 LYS HD2 . 34546 1 328 . 1 . 1 26 26 LYS HD3 H 1 1.695 0.02 . 1 . . . . A 26 LYS HD3 . 34546 1 329 . 1 . 1 26 26 LYS HE2 H 1 2.987 0.02 . 1 . . . . A 26 LYS HE2 . 34546 1 330 . 1 . 1 26 26 LYS HE3 H 1 2.987 0.02 . 1 . . . . A 26 LYS HE3 . 34546 1 331 . 1 . 1 26 26 LYS C C 13 177.160 0.3 . 1 . . . . A 26 LYS C . 34546 1 332 . 1 . 1 26 26 LYS CA C 13 57.641 0.3 . 1 . . . . A 26 LYS CA . 34546 1 333 . 1 . 1 26 26 LYS CB C 13 32.555 0.3 . 1 . . . . A 26 LYS CB . 34546 1 334 . 1 . 1 26 26 LYS CG C 13 24.890 0.3 . 1 . . . . A 26 LYS CG . 34546 1 335 . 1 . 1 26 26 LYS CD C 13 29.209 0.3 . 1 . . . . A 26 LYS CD . 34546 1 336 . 1 . 1 26 26 LYS CE C 13 42.212 0.3 . 1 . . . . A 26 LYS CE . 34546 1 337 . 1 . 1 26 26 LYS N N 15 118.385 0.3 . 1 . . . . A 26 LYS N . 34546 1 338 . 1 . 1 27 27 LEU H H 1 8.040 0.02 . 1 . . . . A 27 LEU H . 34546 1 339 . 1 . 1 27 27 LEU HA H 1 4.403 0.02 . 1 . . . . A 27 LEU HA . 34546 1 340 . 1 . 1 27 27 LEU HB2 H 1 1.671 0.02 . 1 . . . . A 27 LEU HB2 . 34546 1 341 . 1 . 1 27 27 LEU HB3 H 1 1.671 0.02 . 1 . . . . A 27 LEU HB3 . 34546 1 342 . 1 . 1 27 27 LEU HG H 1 1.567 0.02 . 1 . . . . A 27 LEU HG . 34546 1 343 . 1 . 1 27 27 LEU HD11 H 1 0.860 0.02 . 2 . . . . A 27 LEU HD11 . 34546 1 344 . 1 . 1 27 27 LEU HD12 H 1 0.860 0.02 . 2 . . . . A 27 LEU HD12 . 34546 1 345 . 1 . 1 27 27 LEU HD13 H 1 0.860 0.02 . 2 . . . . A 27 LEU HD13 . 34546 1 346 . 1 . 1 27 27 LEU HD21 H 1 0.929 0.02 . 2 . . . . A 27 LEU HD21 . 34546 1 347 . 1 . 1 27 27 LEU HD22 H 1 0.929 0.02 . 2 . . . . A 27 LEU HD22 . 34546 1 348 . 1 . 1 27 27 LEU HD23 H 1 0.929 0.02 . 2 . . . . A 27 LEU HD23 . 34546 1 349 . 1 . 1 27 27 LEU C C 13 177.451 0.3 . 1 . . . . A 27 LEU C . 34546 1 350 . 1 . 1 27 27 LEU CA C 13 55.310 0.3 . 1 . . . . A 27 LEU CA . 34546 1 351 . 1 . 1 27 27 LEU CB C 13 41.969 0.3 . 1 . . . . A 27 LEU CB . 34546 1 352 . 1 . 1 27 27 LEU CG C 13 27.108 0.3 . 1 . . . . A 27 LEU CG . 34546 1 353 . 1 . 1 27 27 LEU CD1 C 13 23.104 0.3 . 2 . . . . A 27 LEU CD1 . 34546 1 354 . 1 . 1 27 27 LEU CD2 C 13 25.280 0.3 . 2 . . . . A 27 LEU CD2 . 34546 1 355 . 1 . 1 27 27 LEU N N 15 120.332 0.3 . 1 . . . . A 27 LEU N . 34546 1 356 . 1 . 1 28 28 ALA H H 1 8.050 0.02 . 1 . . . . A 28 ALA H . 34546 1 357 . 1 . 1 28 28 ALA HA H 1 4.649 0.02 . 1 . . . . A 28 ALA HA . 34546 1 358 . 1 . 1 28 28 ALA HB1 H 1 1.586 0.02 . 1 . . . . A 28 ALA HB1 . 34546 1 359 . 1 . 1 28 28 ALA HB2 H 1 1.586 0.02 . 1 . . . . A 28 ALA HB2 . 34546 1 360 . 1 . 1 28 28 ALA HB3 H 1 1.586 0.02 . 1 . . . . A 28 ALA HB3 . 34546 1 361 . 1 . 1 28 28 ALA C C 13 178.891 0.3 . 1 . . . . A 28 ALA C . 34546 1 362 . 1 . 1 28 28 ALA CA C 13 53.113 0.3 . 1 . . . . A 28 ALA CA . 34546 1 363 . 1 . 1 28 28 ALA CB C 13 19.952 0.3 . 1 . . . . A 28 ALA CB . 34546 1 364 . 1 . 1 28 28 ALA N N 15 123.120 0.3 . 1 . . . . A 28 ALA N . 34546 1 365 . 1 . 1 29 29 GLY H H 1 8.380 0.02 . 1 . . . . A 29 GLY H . 34546 1 366 . 1 . 1 29 29 GLY HA2 H 1 3.990 0.02 . 2 . . . . A 29 GLY HA2 . 34546 1 367 . 1 . 1 29 29 GLY HA3 H 1 4.095 0.02 . 2 . . . . A 29 GLY HA3 . 34546 1 368 . 1 . 1 29 29 GLY C C 13 174.625 0.3 . 1 . . . . A 29 GLY C . 34546 1 369 . 1 . 1 29 29 GLY CA C 13 46.650 0.3 . 1 . . . . A 29 GLY CA . 34546 1 370 . 1 . 1 29 29 GLY N N 15 107.210 0.3 . 1 . . . . A 29 GLY N . 34546 1 371 . 1 . 1 30 30 GLN H H 1 8.398 0.02 . 1 . . . . A 30 GLN H . 34546 1 372 . 1 . 1 30 30 GLN HA H 1 4.919 0.02 . 1 . . . . A 30 GLN HA . 34546 1 373 . 1 . 1 30 30 GLN HB2 H 1 2.124 0.02 . 1 . . . . A 30 GLN HB2 . 34546 1 374 . 1 . 1 30 30 GLN HB3 H 1 2.124 0.02 . 1 . . . . A 30 GLN HB3 . 34546 1 375 . 1 . 1 30 30 GLN HG2 H 1 2.360 0.02 . 1 . . . . A 30 GLN HG2 . 34546 1 376 . 1 . 1 30 30 GLN HG3 H 1 2.360 0.02 . 1 . . . . A 30 GLN HG3 . 34546 1 377 . 1 . 1 30 30 GLN HE21 H 1 7.588 0.02 . 1 . . . . A 30 GLN HE21 . 34546 1 378 . 1 . 1 30 30 GLN HE22 H 1 6.779 0.02 . 1 . . . . A 30 GLN HE22 . 34546 1 379 . 1 . 1 30 30 GLN C C 13 175.985 0.3 . 1 . . . . A 30 GLN C . 34546 1 380 . 1 . 1 30 30 GLN CA C 13 56.718 0.3 . 1 . . . . A 30 GLN CA . 34546 1 381 . 1 . 1 30 30 GLN CB C 13 29.866 0.3 . 1 . . . . A 30 GLN CB . 34546 1 382 . 1 . 1 30 30 GLN CG C 13 34.009 0.3 . 1 . . . . A 30 GLN CG . 34546 1 383 . 1 . 1 30 30 GLN CD C 13 180.016 0.3 . 1 . . . . A 30 GLN CD . 34546 1 384 . 1 . 1 30 30 GLN N N 15 119.668 0.3 . 1 . . . . A 30 GLN N . 34546 1 385 . 1 . 1 30 30 GLN NE2 N 15 111.725 0.3 . 1 . . . . A 30 GLN NE2 . 34546 1 386 . 1 . 1 31 31 ARG H H 1 9.149 0.02 . 1 . . . . A 31 ARG H . 34546 1 387 . 1 . 1 31 31 ARG HA H 1 4.714 0.02 . 1 . . . . A 31 ARG HA . 34546 1 388 . 1 . 1 31 31 ARG HB2 H 1 1.886 0.02 . 2 . . . . A 31 ARG HB2 . 34546 1 389 . 1 . 1 31 31 ARG HB3 H 1 1.935 0.02 . 2 . . . . A 31 ARG HB3 . 34546 1 390 . 1 . 1 31 31 ARG HG2 H 1 1.630 0.02 . 1 . . . . A 31 ARG HG2 . 34546 1 391 . 1 . 1 31 31 ARG HG3 H 1 1.630 0.02 . 1 . . . . A 31 ARG HG3 . 34546 1 392 . 1 . 1 31 31 ARG HD2 H 1 3.077 0.02 . 2 . . . . A 31 ARG HD2 . 34546 1 393 . 1 . 1 31 31 ARG HD3 H 1 3.301 0.02 . 2 . . . . A 31 ARG HD3 . 34546 1 394 . 1 . 1 31 31 ARG HE H 1 6.678 0.02 . 1 . . . . A 31 ARG HE . 34546 1 395 . 1 . 1 31 31 ARG C C 13 173.804 0.3 . 1 . . . . A 31 ARG C . 34546 1 396 . 1 . 1 31 31 ARG CA C 13 54.640 0.3 . 1 . . . . A 31 ARG CA . 34546 1 397 . 1 . 1 31 31 ARG CB C 13 32.684 0.3 . 1 . . . . A 31 ARG CB . 34546 1 398 . 1 . 1 31 31 ARG CG C 13 27.043 0.3 . 1 . . . . A 31 ARG CG . 34546 1 399 . 1 . 1 31 31 ARG CD C 13 43.035 0.3 . 1 . . . . A 31 ARG CD . 34546 1 400 . 1 . 1 31 31 ARG CZ C 13 159.109 0.3 . 1 . . . . A 31 ARG CZ . 34546 1 401 . 1 . 1 31 31 ARG N N 15 124.181 0.3 . 1 . . . . A 31 ARG N . 34546 1 402 . 1 . 1 31 31 ARG NE N 15 82.194 0.3 . 1 . . . . A 31 ARG NE . 34546 1 403 . 1 . 1 32 32 ARG H H 1 8.833 0.02 . 1 . . . . A 32 ARG H . 34546 1 404 . 1 . 1 32 32 ARG HA H 1 5.194 0.02 . 1 . . . . A 32 ARG HA . 34546 1 405 . 1 . 1 32 32 ARG HB2 H 1 1.750 0.02 . 1 . . . . A 32 ARG HB2 . 34546 1 406 . 1 . 1 32 32 ARG HB3 H 1 1.750 0.02 . 1 . . . . A 32 ARG HB3 . 34546 1 407 . 1 . 1 32 32 ARG HG2 H 1 1.337 0.02 . 2 . . . . A 32 ARG HG2 . 34546 1 408 . 1 . 1 32 32 ARG HG3 H 1 1.435 0.02 . 2 . . . . A 32 ARG HG3 . 34546 1 409 . 1 . 1 32 32 ARG HD2 H 1 3.183 0.02 . 1 . . . . A 32 ARG HD2 . 34546 1 410 . 1 . 1 32 32 ARG HD3 H 1 3.183 0.02 . 1 . . . . A 32 ARG HD3 . 34546 1 411 . 1 . 1 32 32 ARG HE H 1 7.478 0.02 . 1 . . . . A 32 ARG HE . 34546 1 412 . 1 . 1 32 32 ARG C C 13 175.562 0.3 . 1 . . . . A 32 ARG C . 34546 1 413 . 1 . 1 32 32 ARG CA C 13 55.063 0.3 . 1 . . . . A 32 ARG CA . 34546 1 414 . 1 . 1 32 32 ARG CB C 13 32.620 0.3 . 1 . . . . A 32 ARG CB . 34546 1 415 . 1 . 1 32 32 ARG CG C 13 28.318 0.3 . 1 . . . . A 32 ARG CG . 34546 1 416 . 1 . 1 32 32 ARG CD C 13 43.590 0.3 . 1 . . . . A 32 ARG CD . 34546 1 417 . 1 . 1 32 32 ARG CZ C 13 159.443 0.3 . 1 . . . . A 32 ARG CZ . 34546 1 418 . 1 . 1 32 32 ARG N N 15 127.172 0.3 . 1 . . . . A 32 ARG N . 34546 1 419 . 1 . 1 32 32 ARG NE N 15 85.282 0.3 . 1 . . . . A 32 ARG NE . 34546 1 420 . 1 . 1 33 33 ILE H H 1 9.639 0.02 . 1 . . . . A 33 ILE H . 34546 1 421 . 1 . 1 33 33 ILE HA H 1 4.294 0.02 . 1 . . . . A 33 ILE HA . 34546 1 422 . 1 . 1 33 33 ILE HB H 1 1.725 0.02 . 1 . . . . A 33 ILE HB . 34546 1 423 . 1 . 1 33 33 ILE HG12 H 1 1.080 0.02 . 2 . . . . A 33 ILE HG12 . 34546 1 424 . 1 . 1 33 33 ILE HG13 H 1 1.328 0.02 . 2 . . . . A 33 ILE HG13 . 34546 1 425 . 1 . 1 33 33 ILE HG21 H 1 0.716 0.02 . 1 . . . . A 33 ILE HG21 . 34546 1 426 . 1 . 1 33 33 ILE HG22 H 1 0.716 0.02 . 1 . . . . A 33 ILE HG22 . 34546 1 427 . 1 . 1 33 33 ILE HG23 H 1 0.716 0.02 . 1 . . . . A 33 ILE HG23 . 34546 1 428 . 1 . 1 33 33 ILE HD11 H 1 0.702 0.02 . 1 . . . . A 33 ILE HD11 . 34546 1 429 . 1 . 1 33 33 ILE HD12 H 1 0.702 0.02 . 1 . . . . A 33 ILE HD12 . 34546 1 430 . 1 . 1 33 33 ILE HD13 H 1 0.702 0.02 . 1 . . . . A 33 ILE HD13 . 34546 1 431 . 1 . 1 33 33 ILE C C 13 174.109 0.3 . 1 . . . . A 33 ILE C . 34546 1 432 . 1 . 1 33 33 ILE CA C 13 60.571 0.3 . 1 . . . . A 33 ILE CA . 34546 1 433 . 1 . 1 33 33 ILE CB C 13 40.913 0.3 . 1 . . . . A 33 ILE CB . 34546 1 434 . 1 . 1 33 33 ILE CG1 C 13 27.202 0.3 . 1 . . . . A 33 ILE CG1 . 34546 1 435 . 1 . 1 33 33 ILE CG2 C 13 17.092 0.3 . 1 . . . . A 33 ILE CG2 . 34546 1 436 . 1 . 1 33 33 ILE CD1 C 13 14.458 0.3 . 1 . . . . A 33 ILE CD1 . 34546 1 437 . 1 . 1 33 33 ILE N N 15 128.102 0.3 . 1 . . . . A 33 ILE N . 34546 1 438 . 1 . 1 34 34 ALA H H 1 9.219 0.02 . 1 . . . . A 34 ALA H . 34546 1 439 . 1 . 1 34 34 ALA HA H 1 4.794 0.02 . 1 . . . . A 34 ALA HA . 34546 1 440 . 1 . 1 34 34 ALA HB1 H 1 1.493 0.02 . 1 . . . . A 34 ALA HB1 . 34546 1 441 . 1 . 1 34 34 ALA HB2 H 1 1.493 0.02 . 1 . . . . A 34 ALA HB2 . 34546 1 442 . 1 . 1 34 34 ALA HB3 H 1 1.493 0.02 . 1 . . . . A 34 ALA HB3 . 34546 1 443 . 1 . 1 34 34 ALA C C 13 177.875 0.3 . 1 . . . . A 34 ALA C . 34546 1 444 . 1 . 1 34 34 ALA CA C 13 51.145 0.3 . 1 . . . . A 34 ALA CA . 34546 1 445 . 1 . 1 34 34 ALA CB C 13 18.172 0.3 . 1 . . . . A 34 ALA CB . 34546 1 446 . 1 . 1 34 34 ALA N N 15 131.567 0.3 . 1 . . . . A 34 ALA N . 34546 1 447 . 1 . 1 35 35 LEU H H 1 8.240 0.02 . 1 . . . . A 35 LEU H . 34546 1 448 . 1 . 1 35 35 LEU HA H 1 3.947 0.02 . 1 . . . . A 35 LEU HA . 34546 1 449 . 1 . 1 35 35 LEU HB2 H 1 2.169 0.02 . 1 . . . . A 35 LEU HB2 . 34546 1 450 . 1 . 1 35 35 LEU HB3 H 1 1.376 0.02 . 1 . . . . A 35 LEU HB3 . 34546 1 451 . 1 . 1 35 35 LEU HG H 1 1.625 0.02 . 1 . . . . A 35 LEU HG . 34546 1 452 . 1 . 1 35 35 LEU HD11 H 1 0.781 0.02 . 2 . . . . A 35 LEU HD11 . 34546 1 453 . 1 . 1 35 35 LEU HD12 H 1 0.781 0.02 . 2 . . . . A 35 LEU HD12 . 34546 1 454 . 1 . 1 35 35 LEU HD13 H 1 0.781 0.02 . 2 . . . . A 35 LEU HD13 . 34546 1 455 . 1 . 1 35 35 LEU HD21 H 1 0.855 0.02 . 2 . . . . A 35 LEU HD21 . 34546 1 456 . 1 . 1 35 35 LEU HD22 H 1 0.855 0.02 . 2 . . . . A 35 LEU HD22 . 34546 1 457 . 1 . 1 35 35 LEU HD23 H 1 0.855 0.02 . 2 . . . . A 35 LEU HD23 . 34546 1 458 . 1 . 1 35 35 LEU C C 13 177.999 0.3 . 1 . . . . A 35 LEU C . 34546 1 459 . 1 . 1 35 35 LEU CA C 13 59.023 0.3 . 1 . . . . A 35 LEU CA . 34546 1 460 . 1 . 1 35 35 LEU CB C 13 39.196 0.3 . 1 . . . . A 35 LEU CB . 34546 1 461 . 1 . 1 35 35 LEU CG C 13 31.773 0.3 . 1 . . . . A 35 LEU CG . 34546 1 462 . 1 . 1 35 35 LEU CD1 C 13 25.580 0.3 . 2 . . . . A 35 LEU CD1 . 34546 1 463 . 1 . 1 35 35 LEU CD2 C 13 24.835 0.3 . 2 . . . . A 35 LEU CD2 . 34546 1 464 . 1 . 1 35 35 LEU N N 15 125.488 0.3 . 1 . . . . A 35 LEU N . 34546 1 465 . 1 . 1 36 36 ALA H H 1 8.416 0.02 . 1 . . . . A 36 ALA H . 34546 1 466 . 1 . 1 36 36 ALA HA H 1 4.087 0.02 . 1 . . . . A 36 ALA HA . 34546 1 467 . 1 . 1 36 36 ALA HB1 H 1 1.503 0.02 . 1 . . . . A 36 ALA HB1 . 34546 1 468 . 1 . 1 36 36 ALA HB2 H 1 1.503 0.02 . 1 . . . . A 36 ALA HB2 . 34546 1 469 . 1 . 1 36 36 ALA HB3 H 1 1.503 0.02 . 1 . . . . A 36 ALA HB3 . 34546 1 470 . 1 . 1 36 36 ALA C C 13 178.273 0.3 . 1 . . . . A 36 ALA C . 34546 1 471 . 1 . 1 36 36 ALA CA C 13 54.955 0.3 . 1 . . . . A 36 ALA CA . 34546 1 472 . 1 . 1 36 36 ALA CB C 13 18.691 0.3 . 1 . . . . A 36 ALA CB . 34546 1 473 . 1 . 1 36 36 ALA N N 15 122.710 0.3 . 1 . . . . A 36 ALA N . 34546 1 474 . 1 . 1 37 37 ASP H H 1 7.727 0.02 . 1 . . . . A 37 ASP H . 34546 1 475 . 1 . 1 37 37 ASP HA H 1 4.673 0.02 . 1 . . . . A 37 ASP HA . 34546 1 476 . 1 . 1 37 37 ASP HB2 H 1 2.868 0.02 . 1 . . . . A 37 ASP HB2 . 34546 1 477 . 1 . 1 37 37 ASP HB3 H 1 2.993 0.02 . 1 . . . . A 37 ASP HB3 . 34546 1 478 . 1 . 1 37 37 ASP C C 13 176.144 0.3 . 1 . . . . A 37 ASP C . 34546 1 479 . 1 . 1 37 37 ASP CA C 13 55.008 0.3 . 1 . . . . A 37 ASP CA . 34546 1 480 . 1 . 1 37 37 ASP CB C 13 41.651 0.3 . 1 . . . . A 37 ASP CB . 34546 1 481 . 1 . 1 37 37 ASP N N 15 114.203 0.3 . 1 . . . . A 37 ASP N . 34546 1 482 . 1 . 1 38 38 ILE H H 1 7.232 0.02 . 1 . . . . A 38 ILE H . 34546 1 483 . 1 . 1 38 38 ILE HA H 1 4.994 0.02 . 1 . . . . A 38 ILE HA . 34546 1 484 . 1 . 1 38 38 ILE HB H 1 2.459 0.02 . 1 . . . . A 38 ILE HB . 34546 1 485 . 1 . 1 38 38 ILE HG12 H 1 1.352 0.02 . 1 . . . . A 38 ILE HG12 . 34546 1 486 . 1 . 1 38 38 ILE HG13 H 1 1.524 0.02 . 1 . . . . A 38 ILE HG13 . 34546 1 487 . 1 . 1 38 38 ILE HG21 H 1 0.849 0.02 . 1 . . . . A 38 ILE HG21 . 34546 1 488 . 1 . 1 38 38 ILE HG22 H 1 0.849 0.02 . 1 . . . . A 38 ILE HG22 . 34546 1 489 . 1 . 1 38 38 ILE HG23 H 1 0.849 0.02 . 1 . . . . A 38 ILE HG23 . 34546 1 490 . 1 . 1 38 38 ILE HD11 H 1 0.661 0.02 . 1 . . . . A 38 ILE HD11 . 34546 1 491 . 1 . 1 38 38 ILE HD12 H 1 0.661 0.02 . 1 . . . . A 38 ILE HD12 . 34546 1 492 . 1 . 1 38 38 ILE HD13 H 1 0.661 0.02 . 1 . . . . A 38 ILE HD13 . 34546 1 493 . 1 . 1 38 38 ILE C C 13 175.257 0.3 . 1 . . . . A 38 ILE C . 34546 1 494 . 1 . 1 38 38 ILE CA C 13 59.448 0.3 . 1 . . . . A 38 ILE CA . 34546 1 495 . 1 . 1 38 38 ILE CB C 13 38.481 0.3 . 1 . . . . A 38 ILE CB . 34546 1 496 . 1 . 1 38 38 ILE CG1 C 13 24.958 0.3 . 1 . . . . A 38 ILE CG1 . 34546 1 497 . 1 . 1 38 38 ILE CG2 C 13 16.879 0.3 . 1 . . . . A 38 ILE CG2 . 34546 1 498 . 1 . 1 38 38 ILE CD1 C 13 14.263 0.3 . 1 . . . . A 38 ILE CD1 . 34546 1 499 . 1 . 1 38 38 ILE N N 15 113.655 0.3 . 1 . . . . A 38 ILE N . 34546 1 500 . 1 . 1 39 39 THR H H 1 8.456 0.02 . 1 . . . . A 39 THR H . 34546 1 501 . 1 . 1 39 39 THR HA H 1 4.622 0.02 . 1 . . . . A 39 THR HA . 34546 1 502 . 1 . 1 39 39 THR HB H 1 4.839 0.02 . 1 . . . . A 39 THR HB . 34546 1 503 . 1 . 1 39 39 THR HG21 H 1 1.406 0.02 . 1 . . . . A 39 THR HG21 . 34546 1 504 . 1 . 1 39 39 THR HG22 H 1 1.406 0.02 . 1 . . . . A 39 THR HG22 . 34546 1 505 . 1 . 1 39 39 THR HG23 H 1 1.406 0.02 . 1 . . . . A 39 THR HG23 . 34546 1 506 . 1 . 1 39 39 THR C C 13 174.449 0.3 . 1 . . . . A 39 THR C . 34546 1 507 . 1 . 1 39 39 THR CA C 13 60.832 0.3 . 1 . . . . A 39 THR CA . 34546 1 508 . 1 . 1 39 39 THR CB C 13 68.675 0.3 . 1 . . . . A 39 THR CB . 34546 1 509 . 1 . 1 39 39 THR CG2 C 13 21.967 0.3 . 1 . . . . A 39 THR CG2 . 34546 1 510 . 1 . 1 39 39 THR N N 15 111.372 0.3 . 1 . . . . A 39 THR N . 34546 1 511 . 1 . 1 40 40 PRO HA H 1 4.060 0.02 . 1 . . . . A 40 PRO HA . 34546 1 512 . 1 . 1 40 40 PRO HB2 H 1 1.998 0.02 . 2 . . . . A 40 PRO HB2 . 34546 1 513 . 1 . 1 40 40 PRO HB3 H 1 2.452 0.02 . 2 . . . . A 40 PRO HB3 . 34546 1 514 . 1 . 1 40 40 PRO HG2 H 1 2.029 0.02 . 2 . . . . A 40 PRO HG2 . 34546 1 515 . 1 . 1 40 40 PRO HG3 H 1 2.341 0.02 . 2 . . . . A 40 PRO HG3 . 34546 1 516 . 1 . 1 40 40 PRO HD2 H 1 3.952 0.02 . 2 . . . . A 40 PRO HD2 . 34546 1 517 . 1 . 1 40 40 PRO HD3 H 1 3.987 0.02 . 2 . . . . A 40 PRO HD3 . 34546 1 518 . 1 . 1 40 40 PRO C C 13 179.534 0.3 . 1 . . . . A 40 PRO C . 34546 1 519 . 1 . 1 40 40 PRO CA C 13 66.451 0.3 . 1 . . . . A 40 PRO CA . 34546 1 520 . 1 . 1 40 40 PRO CB C 13 31.768 0.3 . 1 . . . . A 40 PRO CB . 34546 1 521 . 1 . 1 40 40 PRO CG C 13 28.334 0.3 . 1 . . . . A 40 PRO CG . 34546 1 522 . 1 . 1 40 40 PRO CD C 13 50.379 0.3 . 1 . . . . A 40 PRO CD . 34546 1 523 . 1 . 1 41 41 GLU H H 1 8.985 0.02 . 1 . . . . A 41 GLU H . 34546 1 524 . 1 . 1 41 41 GLU HA H 1 4.085 0.02 . 1 . . . . A 41 GLU HA . 34546 1 525 . 1 . 1 41 41 GLU HB2 H 1 1.967 0.02 . 2 . . . . A 41 GLU HB2 . 34546 1 526 . 1 . 1 41 41 GLU HB3 H 1 2.126 0.02 . 2 . . . . A 41 GLU HB3 . 34546 1 527 . 1 . 1 41 41 GLU HG2 H 1 2.287 0.02 . 2 . . . . A 41 GLU HG2 . 34546 1 528 . 1 . 1 41 41 GLU HG3 H 1 2.502 0.02 . 2 . . . . A 41 GLU HG3 . 34546 1 529 . 1 . 1 41 41 GLU C C 13 179.942 0.3 . 1 . . . . A 41 GLU C . 34546 1 530 . 1 . 1 41 41 GLU CA C 13 60.764 0.3 . 1 . . . . A 41 GLU CA . 34546 1 531 . 1 . 1 41 41 GLU CB C 13 28.835 0.3 . 1 . . . . A 41 GLU CB . 34546 1 532 . 1 . 1 41 41 GLU CG C 13 37.292 0.3 . 1 . . . . A 41 GLU CG . 34546 1 533 . 1 . 1 41 41 GLU N N 15 118.484 0.3 . 1 . . . . A 41 GLU N . 34546 1 534 . 1 . 1 42 42 GLN H H 1 7.939 0.02 . 1 . . . . A 42 GLN H . 34546 1 535 . 1 . 1 42 42 GLN HA H 1 3.992 0.02 . 1 . . . . A 42 GLN HA . 34546 1 536 . 1 . 1 42 42 GLN HB2 H 1 2.485 0.02 . 1 . . . . A 42 GLN HB2 . 34546 1 537 . 1 . 1 42 42 GLN HB3 H 1 1.856 0.02 . 1 . . . . A 42 GLN HB3 . 34546 1 538 . 1 . 1 42 42 GLN HG2 H 1 2.381 0.02 . 2 . . . . A 42 GLN HG2 . 34546 1 539 . 1 . 1 42 42 GLN HG3 H 1 2.550 0.02 . 2 . . . . A 42 GLN HG3 . 34546 1 540 . 1 . 1 42 42 GLN HE21 H 1 7.762 0.02 . 1 . . . . A 42 GLN HE21 . 34546 1 541 . 1 . 1 42 42 GLN HE22 H 1 6.903 0.02 . 1 . . . . A 42 GLN HE22 . 34546 1 542 . 1 . 1 42 42 GLN C C 13 178.856 0.3 . 1 . . . . A 42 GLN C . 34546 1 543 . 1 . 1 42 42 GLN CA C 13 59.215 0.3 . 1 . . . . A 42 GLN CA . 34546 1 544 . 1 . 1 42 42 GLN CB C 13 28.617 0.3 . 1 . . . . A 42 GLN CB . 34546 1 545 . 1 . 1 42 42 GLN CG C 13 35.232 0.3 . 1 . . . . A 42 GLN CG . 34546 1 546 . 1 . 1 42 42 GLN CD C 13 179.861 0.3 . 1 . . . . A 42 GLN CD . 34546 1 547 . 1 . 1 42 42 GLN N N 15 120.892 0.3 . 1 . . . . A 42 GLN N . 34546 1 548 . 1 . 1 42 42 GLN NE2 N 15 112.389 0.3 . 1 . . . . A 42 GLN NE2 . 34546 1 549 . 1 . 1 43 43 ARG H H 1 8.721 0.02 . 1 . . . . A 43 ARG H . 34546 1 550 . 1 . 1 43 43 ARG HA H 1 3.763 0.02 . 1 . . . . A 43 ARG HA . 34546 1 551 . 1 . 1 43 43 ARG HB2 H 1 1.770 0.02 . 2 . . . . A 43 ARG HB2 . 34546 1 552 . 1 . 1 43 43 ARG HB3 H 1 2.137 0.02 . 2 . . . . A 43 ARG HB3 . 34546 1 553 . 1 . 1 43 43 ARG HG2 H 1 1.349 0.02 . 2 . . . . A 43 ARG HG2 . 34546 1 554 . 1 . 1 43 43 ARG HG3 H 1 1.981 0.02 . 2 . . . . A 43 ARG HG3 . 34546 1 555 . 1 . 1 43 43 ARG HD2 H 1 2.987 0.02 . 2 . . . . A 43 ARG HD2 . 34546 1 556 . 1 . 1 43 43 ARG HD3 H 1 3.013 0.02 . 2 . . . . A 43 ARG HD3 . 34546 1 557 . 1 . 1 43 43 ARG C C 13 178.803 0.3 . 1 . . . . A 43 ARG C . 34546 1 558 . 1 . 1 43 43 ARG CA C 13 60.848 0.3 . 1 . . . . A 43 ARG CA . 34546 1 559 . 1 . 1 43 43 ARG CB C 13 30.384 0.3 . 1 . . . . A 43 ARG CB . 34546 1 560 . 1 . 1 43 43 ARG CG C 13 29.077 0.3 . 1 . . . . A 43 ARG CG . 34546 1 561 . 1 . 1 43 43 ARG CD C 13 44.188 0.3 . 1 . . . . A 43 ARG CD . 34546 1 562 . 1 . 1 43 43 ARG N N 15 119.700 0.3 . 1 . . . . A 43 ARG N . 34546 1 563 . 1 . 1 44 44 GLN H H 1 8.001 0.02 . 1 . . . . A 44 GLN H . 34546 1 564 . 1 . 1 44 44 GLN HA H 1 4.185 0.02 . 1 . . . . A 44 GLN HA . 34546 1 565 . 1 . 1 44 44 GLN HB2 H 1 2.245 0.02 . 1 . . . . A 44 GLN HB2 . 34546 1 566 . 1 . 1 44 44 GLN HB3 H 1 2.245 0.02 . 1 . . . . A 44 GLN HB3 . 34546 1 567 . 1 . 1 44 44 GLN HG2 H 1 2.473 0.02 . 2 . . . . A 44 GLN HG2 . 34546 1 568 . 1 . 1 44 44 GLN HG3 H 1 2.498 0.02 . 2 . . . . A 44 GLN HG3 . 34546 1 569 . 1 . 1 44 44 GLN HE21 H 1 6.865 0.02 . 2 . . . . A 44 GLN HE21 . 34546 1 570 . 1 . 1 44 44 GLN HE22 H 1 7.447 0.02 . 2 . . . . A 44 GLN HE22 . 34546 1 571 . 1 . 1 44 44 GLN C C 13 178.953 0.3 . 1 . . . . A 44 GLN C . 34546 1 572 . 1 . 1 44 44 GLN CA C 13 59.204 0.3 . 1 . . . . A 44 GLN CA . 34546 1 573 . 1 . 1 44 44 GLN CB C 13 28.098 0.3 . 1 . . . . A 44 GLN CB . 34546 1 574 . 1 . 1 44 44 GLN CG C 13 33.753 0.3 . 1 . . . . A 44 GLN CG . 34546 1 575 . 1 . 1 44 44 GLN CD C 13 180.224 0.3 . 1 . . . . A 44 GLN CD . 34546 1 576 . 1 . 1 44 44 GLN N N 15 119.729 0.3 . 1 . . . . A 44 GLN N . 34546 1 577 . 1 . 1 44 44 GLN NE2 N 15 111.409 0.3 . 1 . . . . A 44 GLN NE2 . 34546 1 578 . 1 . 1 45 45 ARG H H 1 7.878 0.02 . 1 . . . . A 45 ARG H . 34546 1 579 . 1 . 1 45 45 ARG HA H 1 4.133 0.02 . 1 . . . . A 45 ARG HA . 34546 1 580 . 1 . 1 45 45 ARG HB2 H 1 1.945 0.02 . 1 . . . . A 45 ARG HB2 . 34546 1 581 . 1 . 1 45 45 ARG HB3 H 1 1.945 0.02 . 1 . . . . A 45 ARG HB3 . 34546 1 582 . 1 . 1 45 45 ARG HG2 H 1 1.739 0.02 . 1 . . . . A 45 ARG HG2 . 34546 1 583 . 1 . 1 45 45 ARG HG3 H 1 1.739 0.02 . 1 . . . . A 45 ARG HG3 . 34546 1 584 . 1 . 1 45 45 ARG HD2 H 1 3.227 0.02 . 1 . . . . A 45 ARG HD2 . 34546 1 585 . 1 . 1 45 45 ARG HD3 H 1 3.227 0.02 . 1 . . . . A 45 ARG HD3 . 34546 1 586 . 1 . 1 45 45 ARG HE H 1 7.502 0.02 . 1 . . . . A 45 ARG HE . 34546 1 587 . 1 . 1 45 45 ARG C C 13 179.421 0.3 . 1 . . . . A 45 ARG C . 34546 1 588 . 1 . 1 45 45 ARG CA C 13 59.075 0.3 . 1 . . . . A 45 ARG CA . 34546 1 589 . 1 . 1 45 45 ARG CB C 13 29.477 0.3 . 1 . . . . A 45 ARG CB . 34546 1 590 . 1 . 1 45 45 ARG CG C 13 27.528 0.3 . 1 . . . . A 45 ARG CG . 34546 1 591 . 1 . 1 45 45 ARG CD C 13 43.074 0.3 . 1 . . . . A 45 ARG CD . 34546 1 592 . 1 . 1 45 45 ARG CZ C 13 159.793 0.3 . 1 . . . . A 45 ARG CZ . 34546 1 593 . 1 . 1 45 45 ARG N N 15 120.518 0.3 . 1 . . . . A 45 ARG N . 34546 1 594 . 1 . 1 45 45 ARG NE N 15 85.091 0.3 . 1 . . . . A 45 ARG NE . 34546 1 595 . 1 . 1 46 46 LEU H H 1 8.373 0.02 . 1 . . . . A 46 LEU H . 34546 1 596 . 1 . 1 46 46 LEU HA H 1 4.066 0.02 . 1 . . . . A 46 LEU HA . 34546 1 597 . 1 . 1 46 46 LEU HB2 H 1 1.768 0.02 . 1 . . . . A 46 LEU HB2 . 34546 1 598 . 1 . 1 46 46 LEU HB3 H 1 1.537 0.02 . 1 . . . . A 46 LEU HB3 . 34546 1 599 . 1 . 1 46 46 LEU HG H 1 1.643 0.02 . 1 . . . . A 46 LEU HG . 34546 1 600 . 1 . 1 46 46 LEU HD11 H 1 0.769 0.02 . 2 . . . . A 46 LEU HD11 . 34546 1 601 . 1 . 1 46 46 LEU HD12 H 1 0.769 0.02 . 2 . . . . A 46 LEU HD12 . 34546 1 602 . 1 . 1 46 46 LEU HD13 H 1 0.769 0.02 . 2 . . . . A 46 LEU HD13 . 34546 1 603 . 1 . 1 46 46 LEU HD21 H 1 0.870 0.02 . 2 . . . . A 46 LEU HD21 . 34546 1 604 . 1 . 1 46 46 LEU HD22 H 1 0.870 0.02 . 2 . . . . A 46 LEU HD22 . 34546 1 605 . 1 . 1 46 46 LEU HD23 H 1 0.870 0.02 . 2 . . . . A 46 LEU HD23 . 34546 1 606 . 1 . 1 46 46 LEU C C 13 178.379 0.3 . 1 . . . . A 46 LEU C . 34546 1 607 . 1 . 1 46 46 LEU CA C 13 58.022 0.3 . 1 . . . . A 46 LEU CA . 34546 1 608 . 1 . 1 46 46 LEU CB C 13 41.854 0.3 . 1 . . . . A 46 LEU CB . 34546 1 609 . 1 . 1 46 46 LEU CG C 13 27.150 0.3 . 1 . . . . A 46 LEU CG . 34546 1 610 . 1 . 1 46 46 LEU CD1 C 13 25.293 0.3 . 2 . . . . A 46 LEU CD1 . 34546 1 611 . 1 . 1 46 46 LEU CD2 C 13 24.680 0.3 . 2 . . . . A 46 LEU CD2 . 34546 1 612 . 1 . 1 46 46 LEU N N 15 120.888 0.3 . 1 . . . . A 46 LEU N . 34546 1 613 . 1 . 1 47 47 ASN H H 1 8.263 0.02 . 1 . . . . A 47 ASN H . 34546 1 614 . 1 . 1 47 47 ASN HA H 1 4.175 0.02 . 1 . . . . A 47 ASN HA . 34546 1 615 . 1 . 1 47 47 ASN HB2 H 1 2.939 0.02 . 1 . . . . A 47 ASN HB2 . 34546 1 616 . 1 . 1 47 47 ASN HB3 H 1 2.939 0.02 . 1 . . . . A 47 ASN HB3 . 34546 1 617 . 1 . 1 47 47 ASN HD21 H 1 7.358 0.02 . 2 . . . . A 47 ASN HD21 . 34546 1 618 . 1 . 1 47 47 ASN HD22 H 1 7.363 0.02 . 2 . . . . A 47 ASN HD22 . 34546 1 619 . 1 . 1 47 47 ASN C C 13 177.928 0.3 . 1 . . . . A 47 ASN C . 34546 1 620 . 1 . 1 47 47 ASN CA C 13 57.694 0.3 . 1 . . . . A 47 ASN CA . 34546 1 621 . 1 . 1 47 47 ASN CB C 13 40.001 0.3 . 1 . . . . A 47 ASN CB . 34546 1 622 . 1 . 1 47 47 ASN CG C 13 176.388 0.3 . 1 . . . . A 47 ASN CG . 34546 1 623 . 1 . 1 47 47 ASN N N 15 118.530 0.3 . 1 . . . . A 47 ASN N . 34546 1 624 . 1 . 1 47 47 ASN ND2 N 15 113.226 0.3 . 1 . . . . A 47 ASN ND2 . 34546 1 625 . 1 . 1 48 48 GLN H H 1 8.094 0.02 . 1 . . . . A 48 GLN H . 34546 1 626 . 1 . 1 48 48 GLN HA H 1 4.147 0.02 . 1 . . . . A 48 GLN HA . 34546 1 627 . 1 . 1 48 48 GLN HB2 H 1 2.244 0.02 . 1 . . . . A 48 GLN HB2 . 34546 1 628 . 1 . 1 48 48 GLN HB3 H 1 2.244 0.02 . 1 . . . . A 48 GLN HB3 . 34546 1 629 . 1 . 1 48 48 GLN HG2 H 1 2.412 0.02 . 2 . . . . A 48 GLN HG2 . 34546 1 630 . 1 . 1 48 48 GLN HG3 H 1 2.542 0.02 . 2 . . . . A 48 GLN HG3 . 34546 1 631 . 1 . 1 48 48 GLN HE21 H 1 7.477 0.02 . 1 . . . . A 48 GLN HE21 . 34546 1 632 . 1 . 1 48 48 GLN HE22 H 1 6.887 0.02 . 1 . . . . A 48 GLN HE22 . 34546 1 633 . 1 . 1 48 48 GLN C C 13 178.282 0.3 . 1 . . . . A 48 GLN C . 34546 1 634 . 1 . 1 48 48 GLN CA C 13 59.332 0.3 . 1 . . . . A 48 GLN CA . 34546 1 635 . 1 . 1 48 48 GLN CB C 13 28.367 0.3 . 1 . . . . A 48 GLN CB . 34546 1 636 . 1 . 1 48 48 GLN CG C 13 33.856 0.3 . 1 . . . . A 48 GLN CG . 34546 1 637 . 1 . 1 48 48 GLN CD C 13 180.301 0.3 . 1 . . . . A 48 GLN CD . 34546 1 638 . 1 . 1 48 48 GLN N N 15 119.541 0.3 . 1 . . . . A 48 GLN N . 34546 1 639 . 1 . 1 48 48 GLN NE2 N 15 111.496 0.3 . 1 . . . . A 48 GLN NE2 . 34546 1 640 . 1 . 1 49 49 LEU H H 1 8.356 0.02 . 1 . . . . A 49 LEU H . 34546 1 641 . 1 . 1 49 49 LEU HA H 1 4.187 0.02 . 1 . . . . A 49 LEU HA . 34546 1 642 . 1 . 1 49 49 LEU HB2 H 1 1.743 0.02 . 1 . . . . A 49 LEU HB2 . 34546 1 643 . 1 . 1 49 49 LEU HB3 H 1 1.901 0.02 . 1 . . . . A 49 LEU HB3 . 34546 1 644 . 1 . 1 49 49 LEU HG H 1 1.504 0.02 . 1 . . . . A 49 LEU HG . 34546 1 645 . 1 . 1 49 49 LEU HD11 H 1 0.735 0.02 . 2 . . . . A 49 LEU HD11 . 34546 1 646 . 1 . 1 49 49 LEU HD12 H 1 0.735 0.02 . 2 . . . . A 49 LEU HD12 . 34546 1 647 . 1 . 1 49 49 LEU HD13 H 1 0.735 0.02 . 2 . . . . A 49 LEU HD13 . 34546 1 648 . 1 . 1 49 49 LEU HD21 H 1 0.782 0.02 . 2 . . . . A 49 LEU HD21 . 34546 1 649 . 1 . 1 49 49 LEU HD22 H 1 0.782 0.02 . 2 . . . . A 49 LEU HD22 . 34546 1 650 . 1 . 1 49 49 LEU HD23 H 1 0.782 0.02 . 2 . . . . A 49 LEU HD23 . 34546 1 651 . 1 . 1 49 49 LEU C C 13 179.606 0.3 . 1 . . . . A 49 LEU C . 34546 1 652 . 1 . 1 49 49 LEU CA C 13 58.035 0.3 . 1 . . . . A 49 LEU CA . 34546 1 653 . 1 . 1 49 49 LEU CB C 13 42.138 0.3 . 1 . . . . A 49 LEU CB . 34546 1 654 . 1 . 1 49 49 LEU CG C 13 27.471 0.3 . 1 . . . . A 49 LEU CG . 34546 1 655 . 1 . 1 49 49 LEU CD1 C 13 25.449 0.3 . 2 . . . . A 49 LEU CD1 . 34546 1 656 . 1 . 1 49 49 LEU CD2 C 13 25.120 0.3 . 2 . . . . A 49 LEU CD2 . 34546 1 657 . 1 . 1 49 49 LEU N N 15 121.543 0.3 . 1 . . . . A 49 LEU N . 34546 1 658 . 1 . 1 50 50 LEU H H 1 8.432 0.02 . 1 . . . . A 50 LEU H . 34546 1 659 . 1 . 1 50 50 LEU HA H 1 4.014 0.02 . 1 . . . . A 50 LEU HA . 34546 1 660 . 1 . 1 50 50 LEU HB2 H 1 1.852 0.02 . 1 . . . . A 50 LEU HB2 . 34546 1 661 . 1 . 1 50 50 LEU HB3 H 1 1.281 0.02 . 1 . . . . A 50 LEU HB3 . 34546 1 662 . 1 . 1 50 50 LEU HG H 1 1.806 0.02 . 1 . . . . A 50 LEU HG . 34546 1 663 . 1 . 1 50 50 LEU HD11 H 1 0.788 0.02 . 1 . . . . A 50 LEU HD11 . 34546 1 664 . 1 . 1 50 50 LEU HD12 H 1 0.788 0.02 . 1 . . . . A 50 LEU HD12 . 34546 1 665 . 1 . 1 50 50 LEU HD13 H 1 0.788 0.02 . 1 . . . . A 50 LEU HD13 . 34546 1 666 . 1 . 1 50 50 LEU HD21 H 1 0.709 0.02 . 1 . . . . A 50 LEU HD21 . 34546 1 667 . 1 . 1 50 50 LEU HD22 H 1 0.709 0.02 . 1 . . . . A 50 LEU HD22 . 34546 1 668 . 1 . 1 50 50 LEU HD23 H 1 0.709 0.02 . 1 . . . . A 50 LEU HD23 . 34546 1 669 . 1 . 1 50 50 LEU C C 13 179.924 0.3 . 1 . . . . A 50 LEU C . 34546 1 670 . 1 . 1 50 50 LEU CA C 13 57.820 0.3 . 1 . . . . A 50 LEU CA . 34546 1 671 . 1 . 1 50 50 LEU CB C 13 40.828 0.3 . 1 . . . . A 50 LEU CB . 34546 1 672 . 1 . 1 50 50 LEU CG C 13 27.205 0.3 . 1 . . . . A 50 LEU CG . 34546 1 673 . 1 . 1 50 50 LEU CD1 C 13 22.165 0.3 . 1 . . . . A 50 LEU CD1 . 34546 1 674 . 1 . 1 50 50 LEU CD2 C 13 25.972 0.3 . 1 . . . . A 50 LEU CD2 . 34546 1 675 . 1 . 1 50 50 LEU N N 15 118.174 0.3 . 1 . . . . A 50 LEU N . 34546 1 676 . 1 . 1 51 51 ASN H H 1 8.050 0.02 . 1 . . . . A 51 ASN H . 34546 1 677 . 1 . 1 51 51 ASN HA H 1 4.504 0.02 . 1 . . . . A 51 ASN HA . 34546 1 678 . 1 . 1 51 51 ASN HB2 H 1 2.961 0.02 . 1 . . . . A 51 ASN HB2 . 34546 1 679 . 1 . 1 51 51 ASN HB3 H 1 2.749 0.02 . 1 . . . . A 51 ASN HB3 . 34546 1 680 . 1 . 1 51 51 ASN HD21 H 1 7.404 0.02 . 1 . . . . A 51 ASN HD21 . 34546 1 681 . 1 . 1 51 51 ASN HD22 H 1 7.050 0.02 . 1 . . . . A 51 ASN HD22 . 34546 1 682 . 1 . 1 51 51 ASN C C 13 178.290 0.3 . 1 . . . . A 51 ASN C . 34546 1 683 . 1 . 1 51 51 ASN CA C 13 57.054 0.3 . 1 . . . . A 51 ASN CA . 34546 1 684 . 1 . 1 51 51 ASN CB C 13 38.727 0.3 . 1 . . . . A 51 ASN CB . 34546 1 685 . 1 . 1 51 51 ASN CG C 13 175.938 0.3 . 1 . . . . A 51 ASN CG . 34546 1 686 . 1 . 1 51 51 ASN N N 15 118.386 0.3 . 1 . . . . A 51 ASN N . 34546 1 687 . 1 . 1 51 51 ASN ND2 N 15 112.263 0.3 . 1 . . . . A 51 ASN ND2 . 34546 1 688 . 1 . 1 52 52 GLN H H 1 8.103 0.02 . 1 . . . . A 52 GLN H . 34546 1 689 . 1 . 1 52 52 GLN HA H 1 4.205 0.02 . 1 . . . . A 52 GLN HA . 34546 1 690 . 1 . 1 52 52 GLN HB2 H 1 2.416 0.02 . 1 . . . . A 52 GLN HB2 . 34546 1 691 . 1 . 1 52 52 GLN HB3 H 1 2.321 0.02 . 1 . . . . A 52 GLN HB3 . 34546 1 692 . 1 . 1 52 52 GLN HG2 H 1 2.562 0.02 . 2 . . . . A 52 GLN HG2 . 34546 1 693 . 1 . 1 52 52 GLN HG3 H 1 2.660 0.02 . 2 . . . . A 52 GLN HG3 . 34546 1 694 . 1 . 1 52 52 GLN HE21 H 1 7.432 0.02 . 1 . . . . A 52 GLN HE21 . 34546 1 695 . 1 . 1 52 52 GLN HE22 H 1 6.828 0.02 . 1 . . . . A 52 GLN HE22 . 34546 1 696 . 1 . 1 52 52 GLN C C 13 177.354 0.3 . 1 . . . . A 52 GLN C . 34546 1 697 . 1 . 1 52 52 GLN CA C 13 58.105 0.3 . 1 . . . . A 52 GLN CA . 34546 1 698 . 1 . 1 52 52 GLN CB C 13 28.665 0.3 . 1 . . . . A 52 GLN CB . 34546 1 699 . 1 . 1 52 52 GLN CG C 13 34.312 0.3 . 1 . . . . A 52 GLN CG . 34546 1 700 . 1 . 1 52 52 GLN CD C 13 180.353 0.3 . 1 . . . . A 52 GLN CD . 34546 1 701 . 1 . 1 52 52 GLN N N 15 118.611 0.3 . 1 . . . . A 52 GLN N . 34546 1 702 . 1 . 1 52 52 GLN NE2 N 15 110.341 0.3 . 1 . . . . A 52 GLN NE2 . 34546 1 703 . 1 . 1 53 53 THR H H 1 7.658 0.02 . 1 . . . . A 53 THR H . 34546 1 704 . 1 . 1 53 53 THR HA H 1 4.336 0.02 . 1 . . . . A 53 THR HA . 34546 1 705 . 1 . 1 53 53 THR HB H 1 4.214 0.02 . 1 . . . . A 53 THR HB . 34546 1 706 . 1 . 1 53 53 THR HG1 H 1 4.511 0.02 . 1 . . . . A 53 THR HG1 . 34546 1 707 . 1 . 1 53 53 THR HG21 H 1 1.313 0.02 . 1 . . . . A 53 THR HG21 . 34546 1 708 . 1 . 1 53 53 THR HG22 H 1 1.313 0.02 . 1 . . . . A 53 THR HG22 . 34546 1 709 . 1 . 1 53 53 THR HG23 H 1 1.313 0.02 . 1 . . . . A 53 THR HG23 . 34546 1 710 . 1 . 1 53 53 THR C C 13 175.314 0.3 . 1 . . . . A 53 THR C . 34546 1 711 . 1 . 1 53 53 THR CA C 13 63.974 0.3 . 1 . . . . A 53 THR CA . 34546 1 712 . 1 . 1 53 53 THR CB C 13 69.679 0.3 . 1 . . . . A 53 THR CB . 34546 1 713 . 1 . 1 53 53 THR CG2 C 13 22.547 0.3 . 1 . . . . A 53 THR CG2 . 34546 1 714 . 1 . 1 53 53 THR N N 15 110.576 0.3 . 1 . . . . A 53 THR N . 34546 1 715 . 1 . 1 54 54 LEU H H 1 7.325 0.02 . 1 . . . . A 54 LEU H . 34546 1 716 . 1 . 1 54 54 LEU HA H 1 4.085 0.02 . 1 . . . . A 54 LEU HA . 34546 1 717 . 1 . 1 54 54 LEU HB2 H 1 1.888 0.02 . 1 . . . . A 54 LEU HB2 . 34546 1 718 . 1 . 1 54 54 LEU HB3 H 1 1.666 0.02 . 1 . . . . A 54 LEU HB3 . 34546 1 719 . 1 . 1 54 54 LEU HG H 1 1.976 0.02 . 1 . . . . A 54 LEU HG . 34546 1 720 . 1 . 1 54 54 LEU HD11 H 1 1.012 0.02 . 1 . . . . A 54 LEU HD11 . 34546 1 721 . 1 . 1 54 54 LEU HD12 H 1 1.012 0.02 . 1 . . . . A 54 LEU HD12 . 34546 1 722 . 1 . 1 54 54 LEU HD13 H 1 1.012 0.02 . 1 . . . . A 54 LEU HD13 . 34546 1 723 . 1 . 1 54 54 LEU HD21 H 1 0.877 0.02 . 1 . . . . A 54 LEU HD21 . 34546 1 724 . 1 . 1 54 54 LEU HD22 H 1 0.877 0.02 . 1 . . . . A 54 LEU HD22 . 34546 1 725 . 1 . 1 54 54 LEU HD23 H 1 0.877 0.02 . 1 . . . . A 54 LEU HD23 . 34546 1 726 . 1 . 1 54 54 LEU C C 13 175.809 0.3 . 1 . . . . A 54 LEU C . 34546 1 727 . 1 . 1 54 54 LEU CA C 13 59.382 0.3 . 1 . . . . A 54 LEU CA . 34546 1 728 . 1 . 1 54 54 LEU CB C 13 39.989 0.3 . 1 . . . . A 54 LEU CB . 34546 1 729 . 1 . 1 54 54 LEU CG C 13 26.733 0.3 . 1 . . . . A 54 LEU CG . 34546 1 730 . 1 . 1 54 54 LEU CD1 C 13 23.627 0.3 . 1 . . . . A 54 LEU CD1 . 34546 1 731 . 1 . 1 54 54 LEU CD2 C 13 25.392 0.3 . 1 . . . . A 54 LEU CD2 . 34546 1 732 . 1 . 1 54 54 LEU N N 15 121.936 0.3 . 1 . . . . A 54 LEU N . 34546 1 733 . 1 . 1 55 55 PRO HA H 1 4.300 0.02 . 1 . . . . A 55 PRO HA . 34546 1 734 . 1 . 1 55 55 PRO HB2 H 1 0.967 0.02 . 1 . . . . A 55 PRO HB2 . 34546 1 735 . 1 . 1 55 55 PRO HB3 H 1 2.187 0.02 . 1 . . . . A 55 PRO HB3 . 34546 1 736 . 1 . 1 55 55 PRO HG2 H 1 1.819 0.02 . 2 . . . . A 55 PRO HG2 . 34546 1 737 . 1 . 1 55 55 PRO HG3 H 1 1.876 0.02 . 2 . . . . A 55 PRO HG3 . 34546 1 738 . 1 . 1 55 55 PRO HD2 H 1 3.358 0.02 . 1 . . . . A 55 PRO HD2 . 34546 1 739 . 1 . 1 55 55 PRO HD3 H 1 3.669 0.02 . 1 . . . . A 55 PRO HD3 . 34546 1 740 . 1 . 1 55 55 PRO C C 13 176.605 0.3 . 1 . . . . A 55 PRO C . 34546 1 741 . 1 . 1 55 55 PRO CA C 13 65.433 0.3 . 1 . . . . A 55 PRO CA . 34546 1 742 . 1 . 1 55 55 PRO CB C 13 31.190 0.3 . 1 . . . . A 55 PRO CB . 34546 1 743 . 1 . 1 55 55 PRO CG C 13 28.167 0.3 . 1 . . . . A 55 PRO CG . 34546 1 744 . 1 . 1 55 55 PRO CD C 13 51.047 0.3 . 1 . . . . A 55 PRO CD . 34546 1 745 . 1 . 1 56 56 TYR H H 1 7.702 0.02 . 1 . . . . A 56 TYR H . 34546 1 746 . 1 . 1 56 56 TYR HA H 1 4.686 0.02 . 1 . . . . A 56 TYR HA . 34546 1 747 . 1 . 1 56 56 TYR HB2 H 1 2.886 0.02 . 1 . . . . A 56 TYR HB2 . 34546 1 748 . 1 . 1 56 56 TYR HB3 H 1 3.392 0.02 . 1 . . . . A 56 TYR HB3 . 34546 1 749 . 1 . 1 56 56 TYR HD1 H 1 7.186 0.02 . 1 . . . . A 56 TYR HD1 . 34546 1 750 . 1 . 1 56 56 TYR HD2 H 1 7.186 0.02 . 1 . . . . A 56 TYR HD2 . 34546 1 751 . 1 . 1 56 56 TYR HE1 H 1 6.911 0.02 . 1 . . . . A 56 TYR HE1 . 34546 1 752 . 1 . 1 56 56 TYR HE2 H 1 6.911 0.02 . 1 . . . . A 56 TYR HE2 . 34546 1 753 . 1 . 1 56 56 TYR C C 13 175.173 0.3 . 1 . . . . A 56 TYR C . 34546 1 754 . 1 . 1 56 56 TYR CA C 13 56.644 0.3 . 1 . . . . A 56 TYR CA . 34546 1 755 . 1 . 1 56 56 TYR CB C 13 38.964 0.3 . 1 . . . . A 56 TYR CB . 34546 1 756 . 1 . 1 56 56 TYR CD1 C 13 133.139 0.3 . 1 . . . . A 56 TYR CD1 . 34546 1 757 . 1 . 1 56 56 TYR CD2 C 13 133.139 0.3 . 1 . . . . A 56 TYR CD2 . 34546 1 758 . 1 . 1 56 56 TYR CE1 C 13 118.459 0.3 . 1 . . . . A 56 TYR CE1 . 34546 1 759 . 1 . 1 56 56 TYR CE2 C 13 118.459 0.3 . 1 . . . . A 56 TYR CE2 . 34546 1 760 . 1 . 1 56 56 TYR N N 15 113.739 0.3 . 1 . . . . A 56 TYR N . 34546 1 761 . 1 . 1 57 57 ALA H H 1 7.684 0.02 . 1 . . . . A 57 ALA H . 34546 1 762 . 1 . 1 57 57 ALA HA H 1 4.783 0.02 . 1 . . . . A 57 ALA HA . 34546 1 763 . 1 . 1 57 57 ALA HB1 H 1 1.456 0.02 . 1 . . . . A 57 ALA HB1 . 34546 1 764 . 1 . 1 57 57 ALA HB2 H 1 1.456 0.02 . 1 . . . . A 57 ALA HB2 . 34546 1 765 . 1 . 1 57 57 ALA HB3 H 1 1.456 0.02 . 1 . . . . A 57 ALA HB3 . 34546 1 766 . 1 . 1 57 57 ALA C C 13 176.930 0.3 . 1 . . . . A 57 ALA C . 34546 1 767 . 1 . 1 57 57 ALA CA C 13 51.851 0.3 . 1 . . . . A 57 ALA CA . 34546 1 768 . 1 . 1 57 57 ALA CB C 13 21.119 0.3 . 1 . . . . A 57 ALA CB . 34546 1 769 . 1 . 1 57 57 ALA N N 15 122.585 0.3 . 1 . . . . A 57 ALA N . 34546 1 770 . 1 . 1 58 58 GLN H H 1 8.925 0.02 . 1 . . . . A 58 GLN H . 34546 1 771 . 1 . 1 58 58 GLN HA H 1 4.651 0.02 . 1 . . . . A 58 GLN HA . 34546 1 772 . 1 . 1 58 58 GLN HB2 H 1 1.930 0.02 . 2 . . . . A 58 GLN HB2 . 34546 1 773 . 1 . 1 58 58 GLN HB3 H 1 2.168 0.02 . 2 . . . . A 58 GLN HB3 . 34546 1 774 . 1 . 1 58 58 GLN HG2 H 1 2.399 0.02 . 1 . . . . A 58 GLN HG2 . 34546 1 775 . 1 . 1 58 58 GLN HG3 H 1 2.399 0.02 . 1 . . . . A 58 GLN HG3 . 34546 1 776 . 1 . 1 58 58 GLN HE21 H 1 7.465 0.02 . 1 . . . . A 58 GLN HE21 . 34546 1 777 . 1 . 1 58 58 GLN HE22 H 1 6.796 0.02 . 1 . . . . A 58 GLN HE22 . 34546 1 778 . 1 . 1 58 58 GLN C C 13 175.553 0.3 . 1 . . . . A 58 GLN C . 34546 1 779 . 1 . 1 58 58 GLN CA C 13 54.575 0.3 . 1 . . . . A 58 GLN CA . 34546 1 780 . 1 . 1 58 58 GLN CB C 13 31.754 0.3 . 1 . . . . A 58 GLN CB . 34546 1 781 . 1 . 1 58 58 GLN CG C 13 34.001 0.3 . 1 . . . . A 58 GLN CG . 34546 1 782 . 1 . 1 58 58 GLN CD C 13 180.042 0.3 . 1 . . . . A 58 GLN CD . 34546 1 783 . 1 . 1 58 58 GLN N N 15 119.795 0.3 . 1 . . . . A 58 GLN N . 34546 1 784 . 1 . 1 58 58 GLN NE2 N 15 111.620 0.3 . 1 . . . . A 58 GLN NE2 . 34546 1 785 . 1 . 1 59 59 GLU H H 1 8.675 0.02 . 1 . . . . A 59 GLU H . 34546 1 786 . 1 . 1 59 59 GLU HA H 1 4.603 0.02 . 1 . . . . A 59 GLU HA . 34546 1 787 . 1 . 1 59 59 GLU HB2 H 1 1.922 0.02 . 2 . . . . A 59 GLU HB2 . 34546 1 788 . 1 . 1 59 59 GLU HB3 H 1 2.140 0.02 . 2 . . . . A 59 GLU HB3 . 34546 1 789 . 1 . 1 59 59 GLU HG2 H 1 2.360 0.02 . 1 . . . . A 59 GLU HG2 . 34546 1 790 . 1 . 1 59 59 GLU HG3 H 1 2.360 0.02 . 1 . . . . A 59 GLU HG3 . 34546 1 791 . 1 . 1 59 59 GLU C C 13 176.877 0.3 . 1 . . . . A 59 GLU C . 34546 1 792 . 1 . 1 59 59 GLU CA C 13 56.160 0.3 . 1 . . . . A 59 GLU CA . 34546 1 793 . 1 . 1 59 59 GLU CB C 13 31.292 0.3 . 1 . . . . A 59 GLU CB . 34546 1 794 . 1 . 1 59 59 GLU CG C 13 36.987 0.3 . 1 . . . . A 59 GLU CG . 34546 1 795 . 1 . 1 59 59 GLU N N 15 122.548 0.3 . 1 . . . . A 59 GLU N . 34546 1 796 . 1 . 1 60 60 GLU H H 1 8.540 0.02 . 1 . . . . A 60 GLU H . 34546 1 797 . 1 . 1 60 60 GLU HA H 1 4.095 0.02 . 1 . . . . A 60 GLU HA . 34546 1 798 . 1 . 1 60 60 GLU HB2 H 1 1.873 0.02 . 2 . . . . A 60 GLU HB2 . 34546 1 799 . 1 . 1 60 60 GLU HB3 H 1 2.033 0.02 . 2 . . . . A 60 GLU HB3 . 34546 1 800 . 1 . 1 60 60 GLU HG2 H 1 2.218 0.02 . 1 . . . . A 60 GLU HG2 . 34546 1 801 . 1 . 1 60 60 GLU HG3 H 1 2.218 0.02 . 1 . . . . A 60 GLU HG3 . 34546 1 802 . 1 . 1 60 60 GLU C C 13 177.081 0.3 . 1 . . . . A 60 GLU C . 34546 1 803 . 1 . 1 60 60 GLU CA C 13 57.551 0.3 . 1 . . . . A 60 GLU CA . 34546 1 804 . 1 . 1 60 60 GLU CB C 13 30.602 0.3 . 1 . . . . A 60 GLU CB . 34546 1 805 . 1 . 1 60 60 GLU CG C 13 36.829 0.3 . 1 . . . . A 60 GLU CG . 34546 1 806 . 1 . 1 60 60 GLU N N 15 122.774 0.3 . 1 . . . . A 60 GLU N . 34546 1 807 . 1 . 1 61 61 GLY H H 1 8.669 0.02 . 1 . . . . A 61 GLY H . 34546 1 808 . 1 . 1 61 61 GLY HA2 H 1 4.006 0.02 . 1 . . . . A 61 GLY HA2 . 34546 1 809 . 1 . 1 61 61 GLY HA3 H 1 3.844 0.02 . 1 . . . . A 61 GLY HA3 . 34546 1 810 . 1 . 1 61 61 GLY C C 13 174.272 0.3 . 1 . . . . A 61 GLY C . 34546 1 811 . 1 . 1 61 61 GLY CA C 13 45.427 0.3 . 1 . . . . A 61 GLY CA . 34546 1 812 . 1 . 1 61 61 GLY N N 15 111.610 0.3 . 1 . . . . A 61 GLY N . 34546 1 813 . 1 . 1 62 62 GLN H H 1 8.007 0.02 . 1 . . . . A 62 GLN H . 34546 1 814 . 1 . 1 62 62 GLN HA H 1 4.624 0.02 . 1 . . . . A 62 GLN HA . 34546 1 815 . 1 . 1 62 62 GLN HB2 H 1 2.015 0.02 . 2 . . . . A 62 GLN HB2 . 34546 1 816 . 1 . 1 62 62 GLN HB3 H 1 2.178 0.02 . 2 . . . . A 62 GLN HB3 . 34546 1 817 . 1 . 1 62 62 GLN HG2 H 1 2.358 0.02 . 2 . . . . A 62 GLN HG2 . 34546 1 818 . 1 . 1 62 62 GLN HG3 H 1 2.404 0.02 . 2 . . . . A 62 GLN HG3 . 34546 1 819 . 1 . 1 62 62 GLN HE21 H 1 7.602 0.02 . 1 . . . . A 62 GLN HE21 . 34546 1 820 . 1 . 1 62 62 GLN HE22 H 1 6.883 0.02 . 1 . . . . A 62 GLN HE22 . 34546 1 821 . 1 . 1 62 62 GLN C C 13 174.793 0.3 . 1 . . . . A 62 GLN C . 34546 1 822 . 1 . 1 62 62 GLN CA C 13 53.801 0.3 . 1 . . . . A 62 GLN CA . 34546 1 823 . 1 . 1 62 62 GLN CB C 13 28.644 0.3 . 1 . . . . A 62 GLN CB . 34546 1 824 . 1 . 1 62 62 GLN CG C 13 33.619 0.3 . 1 . . . . A 62 GLN CG . 34546 1 825 . 1 . 1 62 62 GLN CD C 13 180.539 0.3 . 1 . . . . A 62 GLN CD . 34546 1 826 . 1 . 1 62 62 GLN N N 15 120.229 0.3 . 1 . . . . A 62 GLN N . 34546 1 827 . 1 . 1 62 62 GLN NE2 N 15 113.018 0.3 . 1 . . . . A 62 GLN NE2 . 34546 1 828 . 1 . 1 63 63 PRO HA H 1 4.382 0.02 . 1 . . . . A 63 PRO HA . 34546 1 829 . 1 . 1 63 63 PRO HB2 H 1 1.923 0.02 . 1 . . . . A 63 PRO HB2 . 34546 1 830 . 1 . 1 63 63 PRO HB3 H 1 2.277 0.02 . 1 . . . . A 63 PRO HB3 . 34546 1 831 . 1 . 1 63 63 PRO HG2 H 1 1.921 0.02 . 2 . . . . A 63 PRO HG2 . 34546 1 832 . 1 . 1 63 63 PRO HG3 H 1 2.001 0.02 . 2 . . . . A 63 PRO HG3 . 34546 1 833 . 1 . 1 63 63 PRO HD2 H 1 3.678 0.02 . 2 . . . . A 63 PRO HD2 . 34546 1 834 . 1 . 1 63 63 PRO HD3 H 1 3.781 0.02 . 2 . . . . A 63 PRO HD3 . 34546 1 835 . 1 . 1 63 63 PRO C C 13 176.704 0.3 . 1 . . . . A 63 PRO C . 34546 1 836 . 1 . 1 63 63 PRO CA C 13 64.028 0.3 . 1 . . . . A 63 PRO CA . 34546 1 837 . 1 . 1 63 63 PRO CB C 13 32.020 0.3 . 1 . . . . A 63 PRO CB . 34546 1 838 . 1 . 1 63 63 PRO CG C 13 27.483 0.3 . 1 . . . . A 63 PRO CG . 34546 1 839 . 1 . 1 63 63 PRO CD C 13 50.690 0.3 . 1 . . . . A 63 PRO CD . 34546 1 840 . 1 . 1 64 64 ASP H H 1 8.349 0.02 . 1 . . . . A 64 ASP H . 34546 1 841 . 1 . 1 64 64 ASP HA H 1 4.573 0.02 . 1 . . . . A 64 ASP HA . 34546 1 842 . 1 . 1 64 64 ASP HB2 H 1 2.682 0.02 . 1 . . . . A 64 ASP HB2 . 34546 1 843 . 1 . 1 64 64 ASP HB3 H 1 2.682 0.02 . 1 . . . . A 64 ASP HB3 . 34546 1 844 . 1 . 1 64 64 ASP C C 13 175.977 0.3 . 1 . . . . A 64 ASP C . 34546 1 845 . 1 . 1 64 64 ASP CA C 13 54.103 0.3 . 1 . . . . A 64 ASP CA . 34546 1 846 . 1 . 1 64 64 ASP CB C 13 40.718 0.3 . 1 . . . . A 64 ASP CB . 34546 1 847 . 1 . 1 64 64 ASP N N 15 118.099 0.3 . 1 . . . . A 64 ASP N . 34546 1 848 . 1 . 1 65 65 SER H H 1 8.002 0.02 . 1 . . . . A 65 SER H . 34546 1 849 . 1 . 1 65 65 SER HA H 1 4.683 0.02 . 1 . . . . A 65 SER HA . 34546 1 850 . 1 . 1 65 65 SER HB2 H 1 3.860 0.02 . 1 . . . . A 65 SER HB2 . 34546 1 851 . 1 . 1 65 65 SER HB3 H 1 3.860 0.02 . 1 . . . . A 65 SER HB3 . 34546 1 852 . 1 . 1 65 65 SER C C 13 172.992 0.3 . 1 . . . . A 65 SER C . 34546 1 853 . 1 . 1 65 65 SER CA C 13 56.853 0.3 . 1 . . . . A 65 SER CA . 34546 1 854 . 1 . 1 65 65 SER CB C 13 63.403 0.3 . 1 . . . . A 65 SER CB . 34546 1 855 . 1 . 1 65 65 SER N N 15 116.257 0.3 . 1 . . . . A 65 SER N . 34546 1 856 . 1 . 1 66 66 PRO HA H 1 4.412 0.02 . 1 . . . . A 66 PRO HA . 34546 1 857 . 1 . 1 66 66 PRO HB2 H 1 1.807 0.02 . 1 . . . . A 66 PRO HB2 . 34546 1 858 . 1 . 1 66 66 PRO HB3 H 1 2.212 0.02 . 1 . . . . A 66 PRO HB3 . 34546 1 859 . 1 . 1 66 66 PRO HG2 H 1 1.923 0.02 . 2 . . . . A 66 PRO HG2 . 34546 1 860 . 1 . 1 66 66 PRO HG3 H 1 2.002 0.02 . 2 . . . . A 66 PRO HG3 . 34546 1 861 . 1 . 1 66 66 PRO HD2 H 1 3.641 0.02 . 2 . . . . A 66 PRO HD2 . 34546 1 862 . 1 . 1 66 66 PRO HD3 H 1 3.783 0.02 . 2 . . . . A 66 PRO HD3 . 34546 1 863 . 1 . 1 66 66 PRO C C 13 177.379 0.3 . 1 . . . . A 66 PRO C . 34546 1 864 . 1 . 1 66 66 PRO CA C 13 63.831 0.3 . 1 . . . . A 66 PRO CA . 34546 1 865 . 1 . 1 66 66 PRO CB C 13 31.989 0.3 . 1 . . . . A 66 PRO CB . 34546 1 866 . 1 . 1 66 66 PRO CG C 13 27.419 0.3 . 1 . . . . A 66 PRO CG . 34546 1 867 . 1 . 1 66 66 PRO CD C 13 50.669 0.3 . 1 . . . . A 66 PRO CD . 34546 1 868 . 1 . 1 67 67 GLY H H 1 8.431 0.02 . 1 . . . . A 67 GLY H . 34546 1 869 . 1 . 1 67 67 GLY HA2 H 1 3.979 0.02 . 1 . . . . A 67 GLY HA2 . 34546 1 870 . 1 . 1 67 67 GLY HA3 H 1 3.979 0.02 . 1 . . . . A 67 GLY HA3 . 34546 1 871 . 1 . 1 67 67 GLY C C 13 174.634 0.3 . 1 . . . . A 67 GLY C . 34546 1 872 . 1 . 1 67 67 GLY CA C 13 45.417 0.3 . 1 . . . . A 67 GLY CA . 34546 1 873 . 1 . 1 67 67 GLY N N 15 109.052 0.3 . 1 . . . . A 67 GLY N . 34546 1 874 . 1 . 1 68 68 SER H H 1 8.164 0.02 . 1 . . . . A 68 SER H . 34546 1 875 . 1 . 1 68 68 SER HA H 1 4.485 0.02 . 1 . . . . A 68 SER HA . 34546 1 876 . 1 . 1 68 68 SER HB2 H 1 3.900 0.02 . 2 . . . . A 68 SER HB2 . 34546 1 877 . 1 . 1 68 68 SER HB3 H 1 3.957 0.02 . 2 . . . . A 68 SER HB3 . 34546 1 878 . 1 . 1 68 68 SER C C 13 175.438 0.3 . 1 . . . . A 68 SER C . 34546 1 879 . 1 . 1 68 68 SER CA C 13 58.805 0.3 . 1 . . . . A 68 SER CA . 34546 1 880 . 1 . 1 68 68 SER CB C 13 64.002 0.3 . 1 . . . . A 68 SER CB . 34546 1 881 . 1 . 1 68 68 SER N N 15 115.637 0.3 . 1 . . . . A 68 SER N . 34546 1 882 . 1 . 1 69 69 GLY H H 1 8.488 0.02 . 1 . . . . A 69 GLY H . 34546 1 883 . 1 . 1 69 69 GLY HA2 H 1 3.991 0.02 . 1 . . . . A 69 GLY HA2 . 34546 1 884 . 1 . 1 69 69 GLY HA3 H 1 3.991 0.02 . 1 . . . . A 69 GLY HA3 . 34546 1 885 . 1 . 1 69 69 GLY C C 13 174.096 0.3 . 1 . . . . A 69 GLY C . 34546 1 886 . 1 . 1 69 69 GLY CA C 13 45.857 0.3 . 1 . . . . A 69 GLY CA . 34546 1 887 . 1 . 1 69 69 GLY N N 15 110.872 0.3 . 1 . . . . A 69 GLY N . 34546 1 888 . 1 . 1 70 70 ASP H H 1 8.280 0.02 . 1 . . . . A 70 ASP H . 34546 1 889 . 1 . 1 70 70 ASP HA H 1 4.542 0.02 . 1 . . . . A 70 ASP HA . 34546 1 890 . 1 . 1 70 70 ASP HB2 H 1 2.578 0.02 . 2 . . . . A 70 ASP HB2 . 34546 1 891 . 1 . 1 70 70 ASP HB3 H 1 2.646 0.02 . 2 . . . . A 70 ASP HB3 . 34546 1 892 . 1 . 1 70 70 ASP C C 13 176.065 0.3 . 1 . . . . A 70 ASP C . 34546 1 893 . 1 . 1 70 70 ASP CA C 13 54.350 0.3 . 1 . . . . A 70 ASP CA . 34546 1 894 . 1 . 1 70 70 ASP CB C 13 41.124 0.3 . 1 . . . . A 70 ASP CB . 34546 1 895 . 1 . 1 70 70 ASP N N 15 119.785 0.3 . 1 . . . . A 70 ASP N . 34546 1 896 . 1 . 1 71 71 GLN H H 1 7.888 0.02 . 1 . . . . A 71 GLN H . 34546 1 897 . 1 . 1 71 71 GLN HA H 1 4.290 0.02 . 1 . . . . A 71 GLN HA . 34546 1 898 . 1 . 1 71 71 GLN HB2 H 1 2.032 0.02 . 1 . . . . A 71 GLN HB2 . 34546 1 899 . 1 . 1 71 71 GLN HB3 H 1 2.032 0.02 . 1 . . . . A 71 GLN HB3 . 34546 1 900 . 1 . 1 71 71 GLN HG2 H 1 2.271 0.02 . 2 . . . . A 71 GLN HG2 . 34546 1 901 . 1 . 1 71 71 GLN HG3 H 1 2.314 0.02 . 2 . . . . A 71 GLN HG3 . 34546 1 902 . 1 . 1 71 71 GLN HE21 H 1 7.509 0.02 . 1 . . . . A 71 GLN HE21 . 34546 1 903 . 1 . 1 71 71 GLN HE22 H 1 6.898 0.02 . 1 . . . . A 71 GLN HE22 . 34546 1 904 . 1 . 1 71 71 GLN C C 13 175.111 0.3 . 1 . . . . A 71 GLN C . 34546 1 905 . 1 . 1 71 71 GLN CA C 13 55.699 0.3 . 1 . . . . A 71 GLN CA . 34546 1 906 . 1 . 1 71 71 GLN CB C 13 30.097 0.3 . 1 . . . . A 71 GLN CB . 34546 1 907 . 1 . 1 71 71 GLN CG C 13 33.854 0.3 . 1 . . . . A 71 GLN CG . 34546 1 908 . 1 . 1 71 71 GLN CD C 13 180.612 0.3 . 1 . . . . A 71 GLN CD . 34546 1 909 . 1 . 1 71 71 GLN N N 15 119.028 0.3 . 1 . . . . A 71 GLN N . 34546 1 910 . 1 . 1 71 71 GLN NE2 N 15 112.525 0.3 . 1 . . . . A 71 GLN NE2 . 34546 1 911 . 1 . 1 72 72 ARG H H 1 8.253 0.02 . 1 . . . . A 72 ARG H . 34546 1 912 . 1 . 1 72 72 ARG HA H 1 4.621 0.02 . 1 . . . . A 72 ARG HA . 34546 1 913 . 1 . 1 72 72 ARG HB2 H 1 1.548 0.02 . 1 . . . . A 72 ARG HB2 . 34546 1 914 . 1 . 1 72 72 ARG HB3 H 1 1.342 0.02 . 1 . . . . A 72 ARG HB3 . 34546 1 915 . 1 . 1 72 72 ARG HG2 H 1 1.206 0.02 . 2 . . . . A 72 ARG HG2 . 34546 1 916 . 1 . 1 72 72 ARG HG3 H 1 1.470 0.02 . 2 . . . . A 72 ARG HG3 . 34546 1 917 . 1 . 1 72 72 ARG HD2 H 1 2.794 0.02 . 2 . . . . A 72 ARG HD2 . 34546 1 918 . 1 . 1 72 72 ARG HD3 H 1 3.019 0.02 . 2 . . . . A 72 ARG HD3 . 34546 1 919 . 1 . 1 72 72 ARG C C 13 176.144 0.3 . 1 . . . . A 72 ARG C . 34546 1 920 . 1 . 1 72 72 ARG CA C 13 55.455 0.3 . 1 . . . . A 72 ARG CA . 34546 1 921 . 1 . 1 72 72 ARG CB C 13 31.875 0.3 . 1 . . . . A 72 ARG CB . 34546 1 922 . 1 . 1 72 72 ARG CG C 13 27.521 0.3 . 1 . . . . A 72 ARG CG . 34546 1 923 . 1 . 1 72 72 ARG CD C 13 43.460 0.3 . 1 . . . . A 72 ARG CD . 34546 1 924 . 1 . 1 72 72 ARG N N 15 120.456 0.3 . 1 . . . . A 72 ARG N . 34546 1 925 . 1 . 1 73 73 TYR H H 1 8.445 0.02 . 1 . . . . A 73 TYR H . 34546 1 926 . 1 . 1 73 73 TYR HA H 1 4.924 0.02 . 1 . . . . A 73 TYR HA . 34546 1 927 . 1 . 1 73 73 TYR HB2 H 1 2.456 0.02 . 1 . . . . A 73 TYR HB2 . 34546 1 928 . 1 . 1 73 73 TYR HB3 H 1 2.456 0.02 . 1 . . . . A 73 TYR HB3 . 34546 1 929 . 1 . 1 73 73 TYR HD1 H 1 6.682 0.02 . 1 . . . . A 73 TYR HD1 . 34546 1 930 . 1 . 1 73 73 TYR HD2 H 1 6.682 0.02 . 1 . . . . A 73 TYR HD2 . 34546 1 931 . 1 . 1 73 73 TYR HE1 H 1 6.634 0.02 . 1 . . . . A 73 TYR HE1 . 34546 1 932 . 1 . 1 73 73 TYR HE2 H 1 6.634 0.02 . 1 . . . . A 73 TYR HE2 . 34546 1 933 . 1 . 1 73 73 TYR C C 13 174.334 0.3 . 1 . . . . A 73 TYR C . 34546 1 934 . 1 . 1 73 73 TYR CA C 13 56.323 0.3 . 1 . . . . A 73 TYR CA . 34546 1 935 . 1 . 1 73 73 TYR CB C 13 41.820 0.3 . 1 . . . . A 73 TYR CB . 34546 1 936 . 1 . 1 73 73 TYR CD1 C 13 133.317 0.3 . 1 . . . . A 73 TYR CD1 . 34546 1 937 . 1 . 1 73 73 TYR CD2 C 13 133.317 0.3 . 1 . . . . A 73 TYR CD2 . 34546 1 938 . 1 . 1 73 73 TYR CE1 C 13 118.378 0.3 . 1 . . . . A 73 TYR CE1 . 34546 1 939 . 1 . 1 73 73 TYR CE2 C 13 118.378 0.3 . 1 . . . . A 73 TYR CE2 . 34546 1 940 . 1 . 1 73 73 TYR N N 15 118.509 0.3 . 1 . . . . A 73 TYR N . 34546 1 941 . 1 . 1 74 74 PHE H H 1 9.454 0.02 . 1 . . . . A 74 PHE H . 34546 1 942 . 1 . 1 74 74 PHE HA H 1 4.924 0.02 . 1 . . . . A 74 PHE HA . 34546 1 943 . 1 . 1 74 74 PHE HB2 H 1 2.729 0.02 . 1 . . . . A 74 PHE HB2 . 34546 1 944 . 1 . 1 74 74 PHE HB3 H 1 2.615 0.02 . 1 . . . . A 74 PHE HB3 . 34546 1 945 . 1 . 1 74 74 PHE HD1 H 1 6.680 0.02 . 1 . . . . A 74 PHE HD1 . 34546 1 946 . 1 . 1 74 74 PHE HD2 H 1 6.680 0.02 . 1 . . . . A 74 PHE HD2 . 34546 1 947 . 1 . 1 74 74 PHE C C 13 174.414 0.3 . 1 . . . . A 74 PHE C . 34546 1 948 . 1 . 1 74 74 PHE CA C 13 58.043 0.3 . 1 . . . . A 74 PHE CA . 34546 1 949 . 1 . 1 74 74 PHE CB C 13 40.848 0.3 . 1 . . . . A 74 PHE CB . 34546 1 950 . 1 . 1 74 74 PHE N N 15 117.897 0.3 . 1 . . . . A 74 PHE N . 34546 1 951 . 1 . 1 75 75 ARG H H 1 9.264 0.02 . 1 . . . . A 75 ARG H . 34546 1 952 . 1 . 1 75 75 ARG HA H 1 5.097 0.02 . 1 . . . . A 75 ARG HA . 34546 1 953 . 1 . 1 75 75 ARG HB2 H 1 1.387 0.02 . 1 . . . . A 75 ARG HB2 . 34546 1 954 . 1 . 1 75 75 ARG HB3 H 1 1.759 0.02 . 1 . . . . A 75 ARG HB3 . 34546 1 955 . 1 . 1 75 75 ARG HG2 H 1 1.317 0.02 . 1 . . . . A 75 ARG HG2 . 34546 1 956 . 1 . 1 75 75 ARG HG3 H 1 1.317 0.02 . 1 . . . . A 75 ARG HG3 . 34546 1 957 . 1 . 1 75 75 ARG HD2 H 1 3.082 0.02 . 2 . . . . A 75 ARG HD2 . 34546 1 958 . 1 . 1 75 75 ARG HD3 H 1 3.162 0.02 . 2 . . . . A 75 ARG HD3 . 34546 1 959 . 1 . 1 75 75 ARG HE H 1 8.201 0.02 . 1 . . . . A 75 ARG HE . 34546 1 960 . 1 . 1 75 75 ARG HH11 H 1 6.876 0.02 . 4 . . . . A 75 ARG HH11 . 34546 1 961 . 1 . 1 75 75 ARG C C 13 175.111 0.3 . 1 . . . . A 75 ARG C . 34546 1 962 . 1 . 1 75 75 ARG CA C 13 55.045 0.3 . 1 . . . . A 75 ARG CA . 34546 1 963 . 1 . 1 75 75 ARG CB C 13 32.587 0.3 . 1 . . . . A 75 ARG CB . 34546 1 964 . 1 . 1 75 75 ARG CG C 13 28.407 0.3 . 1 . . . . A 75 ARG CG . 34546 1 965 . 1 . 1 75 75 ARG CD C 13 43.021 0.3 . 1 . . . . A 75 ARG CD . 34546 1 966 . 1 . 1 75 75 ARG CZ C 13 159.463 0.3 . 1 . . . . A 75 ARG CZ . 34546 1 967 . 1 . 1 75 75 ARG N N 15 126.325 0.3 . 1 . . . . A 75 ARG N . 34546 1 968 . 1 . 1 75 75 ARG NE N 15 85.103 0.3 . 1 . . . . A 75 ARG NE . 34546 1 969 . 1 . 1 75 75 ARG NH1 N 15 71.790 0.3 . 2 . . . . A 75 ARG NH1 . 34546 1 970 . 1 . 1 76 76 VAL H H 1 9.515 0.02 . 1 . . . . A 76 VAL H . 34546 1 971 . 1 . 1 76 76 VAL HA H 1 4.828 0.02 . 1 . . . . A 76 VAL HA . 34546 1 972 . 1 . 1 76 76 VAL HB H 1 2.227 0.02 . 1 . . . . A 76 VAL HB . 34546 1 973 . 1 . 1 76 76 VAL HG11 H 1 0.845 0.02 . 1 . . . . A 76 VAL HG11 . 34546 1 974 . 1 . 1 76 76 VAL HG12 H 1 0.845 0.02 . 1 . . . . A 76 VAL HG12 . 34546 1 975 . 1 . 1 76 76 VAL HG13 H 1 0.845 0.02 . 1 . . . . A 76 VAL HG13 . 34546 1 976 . 1 . 1 76 76 VAL HG21 H 1 0.887 0.02 . 1 . . . . A 76 VAL HG21 . 34546 1 977 . 1 . 1 76 76 VAL HG22 H 1 0.887 0.02 . 1 . . . . A 76 VAL HG22 . 34546 1 978 . 1 . 1 76 76 VAL HG23 H 1 0.887 0.02 . 1 . . . . A 76 VAL HG23 . 34546 1 979 . 1 . 1 76 76 VAL C C 13 173.839 0.3 . 1 . . . . A 76 VAL C . 34546 1 980 . 1 . 1 76 76 VAL CA C 13 60.903 0.3 . 1 . . . . A 76 VAL CA . 34546 1 981 . 1 . 1 76 76 VAL CB C 13 33.203 0.3 . 1 . . . . A 76 VAL CB . 34546 1 982 . 1 . 1 76 76 VAL CG1 C 13 21.092 0.3 . 1 . . . . A 76 VAL CG1 . 34546 1 983 . 1 . 1 76 76 VAL CG2 C 13 20.574 0.3 . 1 . . . . A 76 VAL CG2 . 34546 1 984 . 1 . 1 76 76 VAL N N 15 129.062 0.3 . 1 . . . . A 76 VAL N . 34546 1 985 . 1 . 1 77 77 GLN H H 1 9.407 0.02 . 1 . . . . A 77 GLN H . 34546 1 986 . 1 . 1 77 77 GLN HA H 1 5.206 0.02 . 1 . . . . A 77 GLN HA . 34546 1 987 . 1 . 1 77 77 GLN HB2 H 1 1.961 0.02 . 2 . . . . A 77 GLN HB2 . 34546 1 988 . 1 . 1 77 77 GLN HB3 H 1 2.193 0.02 . 2 . . . . A 77 GLN HB3 . 34546 1 989 . 1 . 1 77 77 GLN HG2 H 1 2.091 0.02 . 2 . . . . A 77 GLN HG2 . 34546 1 990 . 1 . 1 77 77 GLN HG3 H 1 2.182 0.02 . 2 . . . . A 77 GLN HG3 . 34546 1 991 . 1 . 1 77 77 GLN HE21 H 1 7.343 0.02 . 1 . . . . A 77 GLN HE21 . 34546 1 992 . 1 . 1 77 77 GLN HE22 H 1 6.673 0.02 . 1 . . . . A 77 GLN HE22 . 34546 1 993 . 1 . 1 77 77 GLN C C 13 174.820 0.3 . 1 . . . . A 77 GLN C . 34546 1 994 . 1 . 1 77 77 GLN CA C 13 54.520 0.3 . 1 . . . . A 77 GLN CA . 34546 1 995 . 1 . 1 77 77 GLN CB C 13 31.389 0.3 . 1 . . . . A 77 GLN CB . 34546 1 996 . 1 . 1 77 77 GLN CG C 13 34.105 0.3 . 1 . . . . A 77 GLN CG . 34546 1 997 . 1 . 1 77 77 GLN CD C 13 179.386 0.3 . 1 . . . . A 77 GLN CD . 34546 1 998 . 1 . 1 77 77 GLN N N 15 127.658 0.3 . 1 . . . . A 77 GLN N . 34546 1 999 . 1 . 1 77 77 GLN NE2 N 15 111.429 0.3 . 1 . . . . A 77 GLN NE2 . 34546 1 1000 . 1 . 1 78 78 ILE H H 1 9.651 0.02 . 1 . . . . A 78 ILE H . 34546 1 1001 . 1 . 1 78 78 ILE HA H 1 4.526 0.02 . 1 . . . . A 78 ILE HA . 34546 1 1002 . 1 . 1 78 78 ILE HB H 1 1.889 0.02 . 1 . . . . A 78 ILE HB . 34546 1 1003 . 1 . 1 78 78 ILE HG12 H 1 0.743 0.02 . 2 . . . . A 78 ILE HG12 . 34546 1 1004 . 1 . 1 78 78 ILE HG13 H 1 1.589 0.02 . 2 . . . . A 78 ILE HG13 . 34546 1 1005 . 1 . 1 78 78 ILE HG21 H 1 0.481 0.02 . 1 . . . . A 78 ILE HG21 . 34546 1 1006 . 1 . 1 78 78 ILE HG22 H 1 0.481 0.02 . 1 . . . . A 78 ILE HG22 . 34546 1 1007 . 1 . 1 78 78 ILE HG23 H 1 0.481 0.02 . 1 . . . . A 78 ILE HG23 . 34546 1 1008 . 1 . 1 78 78 ILE HD11 H 1 0.839 0.02 . 1 . . . . A 78 ILE HD11 . 34546 1 1009 . 1 . 1 78 78 ILE HD12 H 1 0.839 0.02 . 1 . . . . A 78 ILE HD12 . 34546 1 1010 . 1 . 1 78 78 ILE HD13 H 1 0.839 0.02 . 1 . . . . A 78 ILE HD13 . 34546 1 1011 . 1 . 1 78 78 ILE C C 13 174.696 0.3 . 1 . . . . A 78 ILE C . 34546 1 1012 . 1 . 1 78 78 ILE CA C 13 61.423 0.3 . 1 . . . . A 78 ILE CA . 34546 1 1013 . 1 . 1 78 78 ILE CB C 13 39.721 0.3 . 1 . . . . A 78 ILE CB . 34546 1 1014 . 1 . 1 78 78 ILE CG1 C 13 27.900 0.3 . 1 . . . . A 78 ILE CG1 . 34546 1 1015 . 1 . 1 78 78 ILE CG2 C 13 18.890 0.3 . 1 . . . . A 78 ILE CG2 . 34546 1 1016 . 1 . 1 78 78 ILE CD1 C 13 15.312 0.3 . 1 . . . . A 78 ILE CD1 . 34546 1 1017 . 1 . 1 78 78 ILE N N 15 129.502 0.3 . 1 . . . . A 78 ILE N . 34546 1 1018 . 1 . 1 79 79 SER H H 1 9.124 0.02 . 1 . . . . A 79 SER H . 34546 1 1019 . 1 . 1 79 79 SER HA H 1 5.215 0.02 . 1 . . . . A 79 SER HA . 34546 1 1020 . 1 . 1 79 79 SER HB2 H 1 3.682 0.02 . 2 . . . . A 79 SER HB2 . 34546 1 1021 . 1 . 1 79 79 SER HB3 H 1 3.826 0.02 . 2 . . . . A 79 SER HB3 . 34546 1 1022 . 1 . 1 79 79 SER C C 13 172.789 0.3 . 1 . . . . A 79 SER C . 34546 1 1023 . 1 . 1 79 79 SER CA C 13 57.417 0.3 . 1 . . . . A 79 SER CA . 34546 1 1024 . 1 . 1 79 79 SER CB C 13 64.399 0.3 . 1 . . . . A 79 SER CB . 34546 1 1025 . 1 . 1 79 79 SER N N 15 122.509 0.3 . 1 . . . . A 79 SER N . 34546 1 1026 . 1 . 1 80 80 TYR H H 1 8.984 0.02 . 1 . . . . A 80 TYR H . 34546 1 1027 . 1 . 1 80 80 TYR HA H 1 4.789 0.02 . 1 . . . . A 80 TYR HA . 34546 1 1028 . 1 . 1 80 80 TYR HB2 H 1 2.904 0.02 . 1 . . . . A 80 TYR HB2 . 34546 1 1029 . 1 . 1 80 80 TYR HB3 H 1 2.904 0.02 . 1 . . . . A 80 TYR HB3 . 34546 1 1030 . 1 . 1 80 80 TYR HD1 H 1 6.960 0.02 . 1 . . . . A 80 TYR HD1 . 34546 1 1031 . 1 . 1 80 80 TYR HD2 H 1 6.960 0.02 . 1 . . . . A 80 TYR HD2 . 34546 1 1032 . 1 . 1 80 80 TYR HE1 H 1 6.549 0.02 . 1 . . . . A 80 TYR HE1 . 34546 1 1033 . 1 . 1 80 80 TYR HE2 H 1 6.549 0.02 . 1 . . . . A 80 TYR HE2 . 34546 1 1034 . 1 . 1 80 80 TYR C C 13 174.670 0.3 . 1 . . . . A 80 TYR C . 34546 1 1035 . 1 . 1 80 80 TYR CA C 13 57.033 0.3 . 1 . . . . A 80 TYR CA . 34546 1 1036 . 1 . 1 80 80 TYR CB C 13 39.779 0.3 . 1 . . . . A 80 TYR CB . 34546 1 1037 . 1 . 1 80 80 TYR CD1 C 13 133.548 0.3 . 1 . . . . A 80 TYR CD1 . 34546 1 1038 . 1 . 1 80 80 TYR CD2 C 13 133.548 0.3 . 1 . . . . A 80 TYR CD2 . 34546 1 1039 . 1 . 1 80 80 TYR CE1 C 13 118.648 0.3 . 1 . . . . A 80 TYR CE1 . 34546 1 1040 . 1 . 1 80 80 TYR CE2 C 13 118.648 0.3 . 1 . . . . A 80 TYR CE2 . 34546 1 1041 . 1 . 1 80 80 TYR N N 15 124.310 0.3 . 1 . . . . A 80 TYR N . 34546 1 1042 . 1 . 1 81 81 TYR H H 1 8.237 0.02 . 1 . . . . A 81 TYR H . 34546 1 1043 . 1 . 1 81 81 TYR HA H 1 4.928 0.02 . 1 . . . . A 81 TYR HA . 34546 1 1044 . 1 . 1 81 81 TYR HB2 H 1 2.923 0.02 . 1 . . . . A 81 TYR HB2 . 34546 1 1045 . 1 . 1 81 81 TYR HB3 H 1 2.923 0.02 . 1 . . . . A 81 TYR HB3 . 34546 1 1046 . 1 . 1 81 81 TYR HD1 H 1 7.061 0.02 . 1 . . . . A 81 TYR HD1 . 34546 1 1047 . 1 . 1 81 81 TYR HD2 H 1 7.061 0.02 . 1 . . . . A 81 TYR HD2 . 34546 1 1048 . 1 . 1 81 81 TYR HE1 H 1 6.738 0.02 . 1 . . . . A 81 TYR HE1 . 34546 1 1049 . 1 . 1 81 81 TYR HE2 H 1 6.738 0.02 . 1 . . . . A 81 TYR HE2 . 34546 1 1050 . 1 . 1 81 81 TYR C C 13 175.685 0.3 . 1 . . . . A 81 TYR C . 34546 1 1051 . 1 . 1 81 81 TYR CA C 13 57.786 0.3 . 1 . . . . A 81 TYR CA . 34546 1 1052 . 1 . 1 81 81 TYR CB C 13 40.367 0.3 . 1 . . . . A 81 TYR CB . 34546 1 1053 . 1 . 1 81 81 TYR CD1 C 13 133.259 0.3 . 1 . . . . A 81 TYR CD1 . 34546 1 1054 . 1 . 1 81 81 TYR CD2 C 13 133.259 0.3 . 1 . . . . A 81 TYR CD2 . 34546 1 1055 . 1 . 1 81 81 TYR CE1 C 13 118.088 0.3 . 1 . . . . A 81 TYR CE1 . 34546 1 1056 . 1 . 1 81 81 TYR CE2 C 13 118.088 0.3 . 1 . . . . A 81 TYR CE2 . 34546 1 1057 . 1 . 1 81 81 TYR N N 15 121.693 0.3 . 1 . . . . A 81 TYR N . 34546 1 1058 . 1 . 1 82 82 SER H H 1 8.256 0.02 . 1 . . . . A 82 SER H . 34546 1 1059 . 1 . 1 82 82 SER HA H 1 4.605 0.02 . 1 . . . . A 82 SER HA . 34546 1 1060 . 1 . 1 82 82 SER HB2 H 1 3.853 0.02 . 2 . . . . A 82 SER HB2 . 34546 1 1061 . 1 . 1 82 82 SER HB3 H 1 3.914 0.02 . 2 . . . . A 82 SER HB3 . 34546 1 1062 . 1 . 1 82 82 SER C C 13 174.704 0.3 . 1 . . . . A 82 SER C . 34546 1 1063 . 1 . 1 82 82 SER CA C 13 57.325 0.3 . 1 . . . . A 82 SER CA . 34546 1 1064 . 1 . 1 82 82 SER CB C 13 64.308 0.3 . 1 . . . . A 82 SER CB . 34546 1 1065 . 1 . 1 82 82 SER N N 15 117.656 0.3 . 1 . . . . A 82 SER N . 34546 1 1066 . 1 . 1 83 83 GLN H H 1 9.035 0.02 . 1 . . . . A 83 GLN H . 34546 1 1067 . 1 . 1 83 83 GLN HA H 1 4.043 0.02 . 1 . . . . A 83 GLN HA . 34546 1 1068 . 1 . 1 83 83 GLN HB2 H 1 2.256 0.02 . 1 . . . . A 83 GLN HB2 . 34546 1 1069 . 1 . 1 83 83 GLN HB3 H 1 2.256 0.02 . 1 . . . . A 83 GLN HB3 . 34546 1 1070 . 1 . 1 83 83 GLN HG2 H 1 2.422 0.02 . 2 . . . . A 83 GLN HG2 . 34546 1 1071 . 1 . 1 83 83 GLN HG3 H 1 2.455 0.02 . 2 . . . . A 83 GLN HG3 . 34546 1 1072 . 1 . 1 83 83 GLN HE21 H 1 6.859 0.02 . 2 . . . . A 83 GLN HE21 . 34546 1 1073 . 1 . 1 83 83 GLN HE22 H 1 7.560 0.02 . 2 . . . . A 83 GLN HE22 . 34546 1 1074 . 1 . 1 83 83 GLN C C 13 176.814 0.3 . 1 . . . . A 83 GLN C . 34546 1 1075 . 1 . 1 83 83 GLN CA C 13 58.346 0.3 . 1 . . . . A 83 GLN CA . 34546 1 1076 . 1 . 1 83 83 GLN CB C 13 27.771 0.3 . 1 . . . . A 83 GLN CB . 34546 1 1077 . 1 . 1 83 83 GLN CG C 13 34.298 0.3 . 1 . . . . A 83 GLN CG . 34546 1 1078 . 1 . 1 83 83 GLN CD C 13 180.828 0.3 . 1 . . . . A 83 GLN CD . 34546 1 1079 . 1 . 1 83 83 GLN N N 15 122.375 0.3 . 1 . . . . A 83 GLN N . 34546 1 1080 . 1 . 1 83 83 GLN NE2 N 15 112.305 0.3 . 1 . . . . A 83 GLN NE2 . 34546 1 1081 . 1 . 1 84 84 THR H H 1 8.091 0.02 . 1 . . . . A 84 THR H . 34546 1 1082 . 1 . 1 84 84 THR HA H 1 4.283 0.02 . 1 . . . . A 84 THR HA . 34546 1 1083 . 1 . 1 84 84 THR HB H 1 4.415 0.02 . 1 . . . . A 84 THR HB . 34546 1 1084 . 1 . 1 84 84 THR HG21 H 1 1.196 0.02 . 1 . . . . A 84 THR HG21 . 34546 1 1085 . 1 . 1 84 84 THR HG22 H 1 1.196 0.02 . 1 . . . . A 84 THR HG22 . 34546 1 1086 . 1 . 1 84 84 THR HG23 H 1 1.196 0.02 . 1 . . . . A 84 THR HG23 . 34546 1 1087 . 1 . 1 84 84 THR C C 13 173.910 0.3 . 1 . . . . A 84 THR C . 34546 1 1088 . 1 . 1 84 84 THR CA C 13 62.734 0.3 . 1 . . . . A 84 THR CA . 34546 1 1089 . 1 . 1 84 84 THR CB C 13 69.834 0.3 . 1 . . . . A 84 THR CB . 34546 1 1090 . 1 . 1 84 84 THR CG2 C 13 22.016 0.3 . 1 . . . . A 84 THR CG2 . 34546 1 1091 . 1 . 1 84 84 THR N N 15 109.462 0.3 . 1 . . . . A 84 THR N . 34546 1 1092 . 1 . 1 85 85 LEU H H 1 7.848 0.02 . 1 . . . . A 85 LEU H . 34546 1 1093 . 1 . 1 85 85 LEU HA H 1 4.492 0.02 . 1 . . . . A 85 LEU HA . 34546 1 1094 . 1 . 1 85 85 LEU HB2 H 1 1.624 0.02 . 1 . . . . A 85 LEU HB2 . 34546 1 1095 . 1 . 1 85 85 LEU HB3 H 1 1.624 0.02 . 1 . . . . A 85 LEU HB3 . 34546 1 1096 . 1 . 1 85 85 LEU HG H 1 1.505 0.02 . 1 . . . . A 85 LEU HG . 34546 1 1097 . 1 . 1 85 85 LEU HD11 H 1 0.827 0.02 . 2 . . . . A 85 LEU HD11 . 34546 1 1098 . 1 . 1 85 85 LEU HD12 H 1 0.827 0.02 . 2 . . . . A 85 LEU HD12 . 34546 1 1099 . 1 . 1 85 85 LEU HD13 H 1 0.827 0.02 . 2 . . . . A 85 LEU HD13 . 34546 1 1100 . 1 . 1 85 85 LEU HD21 H 1 0.884 0.02 . 2 . . . . A 85 LEU HD21 . 34546 1 1101 . 1 . 1 85 85 LEU HD22 H 1 0.884 0.02 . 2 . . . . A 85 LEU HD22 . 34546 1 1102 . 1 . 1 85 85 LEU HD23 H 1 0.884 0.02 . 2 . . . . A 85 LEU HD23 . 34546 1 1103 . 1 . 1 85 85 LEU C C 13 175.668 0.3 . 1 . . . . A 85 LEU C . 34546 1 1104 . 1 . 1 85 85 LEU CA C 13 55.124 0.3 . 1 . . . . A 85 LEU CA . 34546 1 1105 . 1 . 1 85 85 LEU CB C 13 43.560 0.3 . 1 . . . . A 85 LEU CB . 34546 1 1106 . 1 . 1 85 85 LEU CG C 13 26.978 0.3 . 1 . . . . A 85 LEU CG . 34546 1 1107 . 1 . 1 85 85 LEU CD1 C 13 24.317 0.3 . 2 . . . . A 85 LEU CD1 . 34546 1 1108 . 1 . 1 85 85 LEU CD2 C 13 24.482 0.3 . 2 . . . . A 85 LEU CD2 . 34546 1 1109 . 1 . 1 85 85 LEU N N 15 123.573 0.3 . 1 . . . . A 85 LEU N . 34546 1 1110 . 1 . 1 86 86 ARG H H 1 8.510 0.02 . 1 . . . . A 86 ARG H . 34546 1 1111 . 1 . 1 86 86 ARG HA H 1 4.621 0.02 . 1 . . . . A 86 ARG HA . 34546 1 1112 . 1 . 1 86 86 ARG HB2 H 1 1.580 0.02 . 2 . . . . A 86 ARG HB2 . 34546 1 1113 . 1 . 1 86 86 ARG HB3 H 1 1.752 0.02 . 2 . . . . A 86 ARG HB3 . 34546 1 1114 . 1 . 1 86 86 ARG HG2 H 1 1.242 0.02 . 2 . . . . A 86 ARG HG2 . 34546 1 1115 . 1 . 1 86 86 ARG HG3 H 1 1.362 0.02 . 2 . . . . A 86 ARG HG3 . 34546 1 1116 . 1 . 1 86 86 ARG HD2 H 1 3.072 0.02 . 2 . . . . A 86 ARG HD2 . 34546 1 1117 . 1 . 1 86 86 ARG HD3 H 1 3.116 0.02 . 2 . . . . A 86 ARG HD3 . 34546 1 1118 . 1 . 1 86 86 ARG C C 13 175.818 0.3 . 1 . . . . A 86 ARG C . 34546 1 1119 . 1 . 1 86 86 ARG CA C 13 55.353 0.3 . 1 . . . . A 86 ARG CA . 34546 1 1120 . 1 . 1 86 86 ARG CB C 13 31.736 0.3 . 1 . . . . A 86 ARG CB . 34546 1 1121 . 1 . 1 86 86 ARG CG C 13 27.444 0.3 . 1 . . . . A 86 ARG CG . 34546 1 1122 . 1 . 1 86 86 ARG CD C 13 43.485 0.3 . 1 . . . . A 86 ARG CD . 34546 1 1123 . 1 . 1 86 86 ARG N N 15 125.847 0.3 . 1 . . . . A 86 ARG N . 34546 1 1124 . 1 . 1 87 87 SER H H 1 8.532 0.02 . 1 . . . . A 87 SER H . 34546 1 1125 . 1 . 1 87 87 SER HA H 1 4.659 0.02 . 1 . . . . A 87 SER HA . 34546 1 1126 . 1 . 1 87 87 SER HB2 H 1 3.462 0.02 . 1 . . . . A 87 SER HB2 . 34546 1 1127 . 1 . 1 87 87 SER HB3 H 1 3.654 0.02 . 1 . . . . A 87 SER HB3 . 34546 1 1128 . 1 . 1 87 87 SER HG H 1 4.912 0.02 . 1 . . . . A 87 SER HG . 34546 1 1129 . 1 . 1 87 87 SER C C 13 172.312 0.3 . 1 . . . . A 87 SER C . 34546 1 1130 . 1 . 1 87 87 SER CA C 13 57.594 0.3 . 1 . . . . A 87 SER CA . 34546 1 1131 . 1 . 1 87 87 SER CB C 13 65.331 0.3 . 1 . . . . A 87 SER CB . 34546 1 1132 . 1 . 1 87 87 SER N N 15 119.996 0.3 . 1 . . . . A 87 SER N . 34546 1 1133 . 1 . 1 88 88 GLU H H 1 8.444 0.02 . 1 . . . . A 88 GLU H . 34546 1 1134 . 1 . 1 88 88 GLU HA H 1 5.662 0.02 . 1 . . . . A 88 GLU HA . 34546 1 1135 . 1 . 1 88 88 GLU HB2 H 1 1.890 0.02 . 1 . . . . A 88 GLU HB2 . 34546 1 1136 . 1 . 1 88 88 GLU HB3 H 1 1.890 0.02 . 1 . . . . A 88 GLU HB3 . 34546 1 1137 . 1 . 1 88 88 GLU HG2 H 1 2.092 0.02 . 1 . . . . A 88 GLU HG2 . 34546 1 1138 . 1 . 1 88 88 GLU HG3 H 1 2.092 0.02 . 1 . . . . A 88 GLU HG3 . 34546 1 1139 . 1 . 1 88 88 GLU C C 13 175.915 0.3 . 1 . . . . A 88 GLU C . 34546 1 1140 . 1 . 1 88 88 GLU CA C 13 55.095 0.3 . 1 . . . . A 88 GLU CA . 34546 1 1141 . 1 . 1 88 88 GLU CB C 13 33.527 0.3 . 1 . . . . A 88 GLU CB . 34546 1 1142 . 1 . 1 88 88 GLU CG C 13 36.502 0.3 . 1 . . . . A 88 GLU CG . 34546 1 1143 . 1 . 1 88 88 GLU N N 15 121.883 0.3 . 1 . . . . A 88 GLU N . 34546 1 1144 . 1 . 1 89 89 ILE H H 1 9.057 0.02 . 1 . . . . A 89 ILE H . 34546 1 1145 . 1 . 1 89 89 ILE HA H 1 4.483 0.02 . 1 . . . . A 89 ILE HA . 34546 1 1146 . 1 . 1 89 89 ILE HB H 1 1.792 0.02 . 1 . . . . A 89 ILE HB . 34546 1 1147 . 1 . 1 89 89 ILE HG12 H 1 1.658 0.02 . 1 . . . . A 89 ILE HG12 . 34546 1 1148 . 1 . 1 89 89 ILE HG13 H 1 1.230 0.02 . 1 . . . . A 89 ILE HG13 . 34546 1 1149 . 1 . 1 89 89 ILE HG21 H 1 0.907 0.02 . 1 . . . . A 89 ILE HG21 . 34546 1 1150 . 1 . 1 89 89 ILE HG22 H 1 0.907 0.02 . 1 . . . . A 89 ILE HG22 . 34546 1 1151 . 1 . 1 89 89 ILE HG23 H 1 0.907 0.02 . 1 . . . . A 89 ILE HG23 . 34546 1 1152 . 1 . 1 89 89 ILE HD11 H 1 0.909 0.02 . 1 . . . . A 89 ILE HD11 . 34546 1 1153 . 1 . 1 89 89 ILE HD12 H 1 0.909 0.02 . 1 . . . . A 89 ILE HD12 . 34546 1 1154 . 1 . 1 89 89 ILE HD13 H 1 0.909 0.02 . 1 . . . . A 89 ILE HD13 . 34546 1 1155 . 1 . 1 89 89 ILE C C 13 173.901 0.3 . 1 . . . . A 89 ILE C . 34546 1 1156 . 1 . 1 89 89 ILE CA C 13 60.609 0.3 . 1 . . . . A 89 ILE CA . 34546 1 1157 . 1 . 1 89 89 ILE CB C 13 42.111 0.3 . 1 . . . . A 89 ILE CB . 34546 1 1158 . 1 . 1 89 89 ILE CG1 C 13 28.127 0.3 . 1 . . . . A 89 ILE CG1 . 34546 1 1159 . 1 . 1 89 89 ILE CG2 C 13 17.160 0.3 . 1 . . . . A 89 ILE CG2 . 34546 1 1160 . 1 . 1 89 89 ILE CD1 C 13 14.072 0.3 . 1 . . . . A 89 ILE CD1 . 34546 1 1161 . 1 . 1 89 89 ILE N N 15 124.867 0.3 . 1 . . . . A 89 ILE N . 34546 1 1162 . 1 . 1 90 90 VAL H H 1 8.612 0.02 . 1 . . . . A 90 VAL H . 34546 1 1163 . 1 . 1 90 90 VAL HA H 1 5.029 0.02 . 1 . . . . A 90 VAL HA . 34546 1 1164 . 1 . 1 90 90 VAL HB H 1 1.967 0.02 . 1 . . . . A 90 VAL HB . 34546 1 1165 . 1 . 1 90 90 VAL HG11 H 1 0.757 0.02 . 1 . . . . A 90 VAL HG11 . 34546 1 1166 . 1 . 1 90 90 VAL HG12 H 1 0.757 0.02 . 1 . . . . A 90 VAL HG12 . 34546 1 1167 . 1 . 1 90 90 VAL HG13 H 1 0.757 0.02 . 1 . . . . A 90 VAL HG13 . 34546 1 1168 . 1 . 1 90 90 VAL HG21 H 1 0.896 0.02 . 1 . . . . A 90 VAL HG21 . 34546 1 1169 . 1 . 1 90 90 VAL HG22 H 1 0.896 0.02 . 1 . . . . A 90 VAL HG22 . 34546 1 1170 . 1 . 1 90 90 VAL HG23 H 1 0.896 0.02 . 1 . . . . A 90 VAL HG23 . 34546 1 1171 . 1 . 1 90 90 VAL C C 13 175.120 0.3 . 1 . . . . A 90 VAL C . 34546 1 1172 . 1 . 1 90 90 VAL CA C 13 61.279 0.3 . 1 . . . . A 90 VAL CA . 34546 1 1173 . 1 . 1 90 90 VAL CB C 13 33.653 0.3 . 1 . . . . A 90 VAL CB . 34546 1 1174 . 1 . 1 90 90 VAL CG1 C 13 21.721 0.3 . 1 . . . . A 90 VAL CG1 . 34546 1 1175 . 1 . 1 90 90 VAL CG2 C 13 21.526 0.3 . 1 . . . . A 90 VAL CG2 . 34546 1 1176 . 1 . 1 90 90 VAL N N 15 126.831 0.3 . 1 . . . . A 90 VAL N . 34546 1 1177 . 1 . 1 91 91 LEU H H 1 9.247 0.02 . 1 . . . . A 91 LEU H . 34546 1 1178 . 1 . 1 91 91 LEU HA H 1 4.893 0.02 . 1 . . . . A 91 LEU HA . 34546 1 1179 . 1 . 1 91 91 LEU HB2 H 1 1.774 0.02 . 1 . . . . A 91 LEU HB2 . 34546 1 1180 . 1 . 1 91 91 LEU HB3 H 1 1.300 0.02 . 1 . . . . A 91 LEU HB3 . 34546 1 1181 . 1 . 1 91 91 LEU HG H 1 1.646 0.02 . 1 . . . . A 91 LEU HG . 34546 1 1182 . 1 . 1 91 91 LEU HD11 H 1 0.790 0.02 . 2 . . . . A 91 LEU HD11 . 34546 1 1183 . 1 . 1 91 91 LEU HD12 H 1 0.790 0.02 . 2 . . . . A 91 LEU HD12 . 34546 1 1184 . 1 . 1 91 91 LEU HD13 H 1 0.790 0.02 . 2 . . . . A 91 LEU HD13 . 34546 1 1185 . 1 . 1 91 91 LEU HD21 H 1 0.794 0.02 . 2 . . . . A 91 LEU HD21 . 34546 1 1186 . 1 . 1 91 91 LEU HD22 H 1 0.794 0.02 . 2 . . . . A 91 LEU HD22 . 34546 1 1187 . 1 . 1 91 91 LEU HD23 H 1 0.794 0.02 . 2 . . . . A 91 LEU HD23 . 34546 1 1188 . 1 . 1 91 91 LEU C C 13 175.199 0.3 . 1 . . . . A 91 LEU C . 34546 1 1189 . 1 . 1 91 91 LEU CA C 13 53.062 0.3 . 1 . . . . A 91 LEU CA . 34546 1 1190 . 1 . 1 91 91 LEU CB C 13 45.257 0.3 . 1 . . . . A 91 LEU CB . 34546 1 1191 . 1 . 1 91 91 LEU CG C 13 27.107 0.3 . 1 . . . . A 91 LEU CG . 34546 1 1192 . 1 . 1 91 91 LEU CD1 C 13 23.650 0.3 . 2 . . . . A 91 LEU CD1 . 34546 1 1193 . 1 . 1 91 91 LEU CD2 C 13 25.701 0.3 . 2 . . . . A 91 LEU CD2 . 34546 1 1194 . 1 . 1 91 91 LEU N N 15 126.470 0.3 . 1 . . . . A 91 LEU N . 34546 1 1195 . 1 . 1 92 92 LEU H H 1 8.913 0.02 . 1 . . . . A 92 LEU H . 34546 1 1196 . 1 . 1 92 92 LEU HA H 1 5.359 0.02 . 1 . . . . A 92 LEU HA . 34546 1 1197 . 1 . 1 92 92 LEU HB2 H 1 1.576 0.02 . 1 . . . . A 92 LEU HB2 . 34546 1 1198 . 1 . 1 92 92 LEU HB3 H 1 0.974 0.02 . 1 . . . . A 92 LEU HB3 . 34546 1 1199 . 1 . 1 92 92 LEU HG H 1 1.380 0.02 . 1 . . . . A 92 LEU HG . 34546 1 1200 . 1 . 1 92 92 LEU HD11 H 1 0.559 0.02 . 2 . . . . A 92 LEU HD11 . 34546 1 1201 . 1 . 1 92 92 LEU HD12 H 1 0.559 0.02 . 2 . . . . A 92 LEU HD12 . 34546 1 1202 . 1 . 1 92 92 LEU HD13 H 1 0.559 0.02 . 2 . . . . A 92 LEU HD13 . 34546 1 1203 . 1 . 1 92 92 LEU HD21 H 1 0.643 0.02 . 2 . . . . A 92 LEU HD21 . 34546 1 1204 . 1 . 1 92 92 LEU HD22 H 1 0.643 0.02 . 2 . . . . A 92 LEU HD22 . 34546 1 1205 . 1 . 1 92 92 LEU HD23 H 1 0.643 0.02 . 2 . . . . A 92 LEU HD23 . 34546 1 1206 . 1 . 1 92 92 LEU C C 13 176.559 0.3 . 1 . . . . A 92 LEU C . 34546 1 1207 . 1 . 1 92 92 LEU CA C 13 53.436 0.3 . 1 . . . . A 92 LEU CA . 34546 1 1208 . 1 . 1 92 92 LEU CB C 13 43.051 0.3 . 1 . . . . A 92 LEU CB . 34546 1 1209 . 1 . 1 92 92 LEU CG C 13 27.284 0.3 . 1 . . . . A 92 LEU CG . 34546 1 1210 . 1 . 1 92 92 LEU CD1 C 13 25.172 0.3 . 2 . . . . A 92 LEU CD1 . 34546 1 1211 . 1 . 1 92 92 LEU CD2 C 13 23.440 0.3 . 2 . . . . A 92 LEU CD2 . 34546 1 1212 . 1 . 1 92 92 LEU N N 15 122.271 0.3 . 1 . . . . A 92 LEU N . 34546 1 1213 . 1 . 1 93 93 ILE H H 1 9.347 0.02 . 1 . . . . A 93 ILE H . 34546 1 1214 . 1 . 1 93 93 ILE HA H 1 4.973 0.02 . 1 . . . . A 93 ILE HA . 34546 1 1215 . 1 . 1 93 93 ILE HB H 1 1.965 0.02 . 1 . . . . A 93 ILE HB . 34546 1 1216 . 1 . 1 93 93 ILE HG12 H 1 1.179 0.02 . 2 . . . . A 93 ILE HG12 . 34546 1 1217 . 1 . 1 93 93 ILE HG13 H 1 1.430 0.02 . 2 . . . . A 93 ILE HG13 . 34546 1 1218 . 1 . 1 93 93 ILE HG21 H 1 0.918 0.02 . 1 . . . . A 93 ILE HG21 . 34546 1 1219 . 1 . 1 93 93 ILE HG22 H 1 0.918 0.02 . 1 . . . . A 93 ILE HG22 . 34546 1 1220 . 1 . 1 93 93 ILE HG23 H 1 0.918 0.02 . 1 . . . . A 93 ILE HG23 . 34546 1 1221 . 1 . 1 93 93 ILE HD11 H 1 0.839 0.02 . 1 . . . . A 93 ILE HD11 . 34546 1 1222 . 1 . 1 93 93 ILE HD12 H 1 0.839 0.02 . 1 . . . . A 93 ILE HD12 . 34546 1 1223 . 1 . 1 93 93 ILE HD13 H 1 0.839 0.02 . 1 . . . . A 93 ILE HD13 . 34546 1 1224 . 1 . 1 93 93 ILE C C 13 173.879 0.3 . 1 . . . . A 93 ILE C . 34546 1 1225 . 1 . 1 93 93 ILE CA C 13 57.308 0.3 . 1 . . . . A 93 ILE CA . 34546 1 1226 . 1 . 1 93 93 ILE CB C 13 41.852 0.3 . 1 . . . . A 93 ILE CB . 34546 1 1227 . 1 . 1 93 93 ILE CG1 C 13 28.430 0.3 . 1 . . . . A 93 ILE CG1 . 34546 1 1228 . 1 . 1 93 93 ILE CG2 C 13 17.572 0.3 . 1 . . . . A 93 ILE CG2 . 34546 1 1229 . 1 . 1 93 93 ILE CD1 C 13 14.668 0.3 . 1 . . . . A 93 ILE CD1 . 34546 1 1230 . 1 . 1 93 93 ILE N N 15 123.596 0.3 . 1 . . . . A 93 ILE N . 34546 1 1231 . 1 . 1 94 94 PRO HA H 1 4.299 0.02 . 1 . . . . A 94 PRO HA . 34546 1 1232 . 1 . 1 94 94 PRO HB2 H 1 1.967 0.02 . 1 . . . . A 94 PRO HB2 . 34546 1 1233 . 1 . 1 94 94 PRO HB3 H 1 2.421 0.02 . 1 . . . . A 94 PRO HB3 . 34546 1 1234 . 1 . 1 94 94 PRO HG2 H 1 2.098 0.02 . 1 . . . . A 94 PRO HG2 . 34546 1 1235 . 1 . 1 94 94 PRO HG3 H 1 2.334 0.02 . 1 . . . . A 94 PRO HG3 . 34546 1 1236 . 1 . 1 94 94 PRO HD2 H 1 3.893 0.02 . 1 . . . . A 94 PRO HD2 . 34546 1 1237 . 1 . 1 94 94 PRO HD3 H 1 4.204 0.02 . 1 . . . . A 94 PRO HD3 . 34546 1 1238 . 1 . 1 94 94 PRO C C 13 177.976 0.3 . 1 . . . . A 94 PRO C . 34546 1 1239 . 1 . 1 94 94 PRO CA C 13 63.584 0.3 . 1 . . . . A 94 PRO CA . 34546 1 1240 . 1 . 1 94 94 PRO CB C 13 32.250 0.3 . 1 . . . . A 94 PRO CB . 34546 1 1241 . 1 . 1 94 94 PRO CG C 13 28.245 0.3 . 1 . . . . A 94 PRO CG . 34546 1 1242 . 1 . 1 94 94 PRO CD C 13 52.058 0.3 . 1 . . . . A 94 PRO CD . 34546 1 1243 . 1 . 1 95 95 GLU H H 1 8.613 0.02 . 1 . . . . A 95 GLU H . 34546 1 1244 . 1 . 1 95 95 GLU HA H 1 3.935 0.02 . 1 . . . . A 95 GLU HA . 34546 1 1245 . 1 . 1 95 95 GLU HB2 H 1 1.571 0.02 . 1 . . . . A 95 GLU HB2 . 34546 1 1246 . 1 . 1 95 95 GLU HB3 H 1 1.870 0.02 . 1 . . . . A 95 GLU HB3 . 34546 1 1247 . 1 . 1 95 95 GLU HG2 H 1 2.037 0.02 . 2 . . . . A 95 GLU HG2 . 34546 1 1248 . 1 . 1 95 95 GLU HG3 H 1 2.117 0.02 . 2 . . . . A 95 GLU HG3 . 34546 1 1249 . 1 . 1 95 95 GLU C C 13 178.396 0.3 . 1 . . . . A 95 GLU C . 34546 1 1250 . 1 . 1 95 95 GLU CA C 13 60.562 0.3 . 1 . . . . A 95 GLU CA . 34546 1 1251 . 1 . 1 95 95 GLU CB C 13 29.779 0.3 . 1 . . . . A 95 GLU CB . 34546 1 1252 . 1 . 1 95 95 GLU CG C 13 36.222 0.3 . 1 . . . . A 95 GLU CG . 34546 1 1253 . 1 . 1 95 95 GLU N N 15 125.692 0.3 . 1 . . . . A 95 GLU N . 34546 1 1254 . 1 . 1 96 96 THR H H 1 8.181 0.02 . 1 . . . . A 96 THR H . 34546 1 1255 . 1 . 1 96 96 THR HA H 1 4.126 0.02 . 1 . . . . A 96 THR HA . 34546 1 1256 . 1 . 1 96 96 THR HB H 1 4.354 0.02 . 1 . . . . A 96 THR HB . 34546 1 1257 . 1 . 1 96 96 THR HG21 H 1 1.315 0.02 . 1 . . . . A 96 THR HG21 . 34546 1 1258 . 1 . 1 96 96 THR HG22 H 1 1.315 0.02 . 1 . . . . A 96 THR HG22 . 34546 1 1259 . 1 . 1 96 96 THR HG23 H 1 1.315 0.02 . 1 . . . . A 96 THR HG23 . 34546 1 1260 . 1 . 1 96 96 THR C C 13 175.597 0.3 . 1 . . . . A 96 THR C . 34546 1 1261 . 1 . 1 96 96 THR CA C 13 63.960 0.3 . 1 . . . . A 96 THR CA . 34546 1 1262 . 1 . 1 96 96 THR CB C 13 68.817 0.3 . 1 . . . . A 96 THR CB . 34546 1 1263 . 1 . 1 96 96 THR CG2 C 13 22.261 0.3 . 1 . . . . A 96 THR CG2 . 34546 1 1264 . 1 . 1 96 96 THR N N 15 107.308 0.3 . 1 . . . . A 96 THR N . 34546 1 1265 . 1 . 1 97 97 SER H H 1 7.495 0.02 . 1 . . . . A 97 SER H . 34546 1 1266 . 1 . 1 97 97 SER HA H 1 4.491 0.02 . 1 . . . . A 97 SER HA . 34546 1 1267 . 1 . 1 97 97 SER HB2 H 1 3.561 0.02 . 2 . . . . A 97 SER HB2 . 34546 1 1268 . 1 . 1 97 97 SER HB3 H 1 3.714 0.02 . 2 . . . . A 97 SER HB3 . 34546 1 1269 . 1 . 1 97 97 SER C C 13 172.780 0.3 . 1 . . . . A 97 SER C . 34546 1 1270 . 1 . 1 97 97 SER CA C 13 57.753 0.3 . 1 . . . . A 97 SER CA . 34546 1 1271 . 1 . 1 97 97 SER CB C 13 64.414 0.3 . 1 . . . . A 97 SER CB . 34546 1 1272 . 1 . 1 97 97 SER N N 15 114.557 0.3 . 1 . . . . A 97 SER N . 34546 1 1273 . 1 . 1 98 98 ALA H H 1 7.224 0.02 . 1 . . . . A 98 ALA H . 34546 1 1274 . 1 . 1 98 98 ALA HA H 1 4.138 0.02 . 1 . . . . A 98 ALA HA . 34546 1 1275 . 1 . 1 98 98 ALA HB1 H 1 1.218 0.02 . 1 . . . . A 98 ALA HB1 . 34546 1 1276 . 1 . 1 98 98 ALA HB2 H 1 1.218 0.02 . 1 . . . . A 98 ALA HB2 . 34546 1 1277 . 1 . 1 98 98 ALA HB3 H 1 1.218 0.02 . 1 . . . . A 98 ALA HB3 . 34546 1 1278 . 1 . 1 98 98 ALA C C 13 174.608 0.3 . 1 . . . . A 98 ALA C . 34546 1 1279 . 1 . 1 98 98 ALA CA C 13 50.053 0.3 . 1 . . . . A 98 ALA CA . 34546 1 1280 . 1 . 1 98 98 ALA CB C 13 18.667 0.3 . 1 . . . . A 98 ALA CB . 34546 1 1281 . 1 . 1 98 98 ALA N N 15 123.883 0.3 . 1 . . . . A 98 ALA N . 34546 1 1282 . 1 . 1 99 99 PRO HA H 1 4.468 0.02 . 1 . . . . A 99 PRO HA . 34546 1 1283 . 1 . 1 99 99 PRO HB2 H 1 1.783 0.02 . 1 . . . . A 99 PRO HB2 . 34546 1 1284 . 1 . 1 99 99 PRO HB3 H 1 2.443 0.02 . 1 . . . . A 99 PRO HB3 . 34546 1 1285 . 1 . 1 99 99 PRO HG2 H 1 1.962 0.02 . 2 . . . . A 99 PRO HG2 . 34546 1 1286 . 1 . 1 99 99 PRO HG3 H 1 2.047 0.02 . 2 . . . . A 99 PRO HG3 . 34546 1 1287 . 1 . 1 99 99 PRO HD2 H 1 3.300 0.02 . 2 . . . . A 99 PRO HD2 . 34546 1 1288 . 1 . 1 99 99 PRO HD3 H 1 4.068 0.02 . 2 . . . . A 99 PRO HD3 . 34546 1 1289 . 1 . 1 99 99 PRO C C 13 177.687 0.3 . 1 . . . . A 99 PRO C . 34546 1 1290 . 1 . 1 99 99 PRO CA C 13 62.223 0.3 . 1 . . . . A 99 PRO CA . 34546 1 1291 . 1 . 1 99 99 PRO CB C 13 32.004 0.3 . 1 . . . . A 99 PRO CB . 34546 1 1292 . 1 . 1 99 99 PRO CG C 13 27.819 0.3 . 1 . . . . A 99 PRO CG . 34546 1 1293 . 1 . 1 99 99 PRO CD C 13 50.557 0.3 . 1 . . . . A 99 PRO CD . 34546 1 1294 . 1 . 1 100 100 GLN H H 1 9.012 0.02 . 1 . . . . A 100 GLN H . 34546 1 1295 . 1 . 1 100 100 GLN HA H 1 3.770 0.02 . 1 . . . . A 100 GLN HA . 34546 1 1296 . 1 . 1 100 100 GLN HB2 H 1 1.938 0.02 . 2 . . . . A 100 GLN HB2 . 34546 1 1297 . 1 . 1 100 100 GLN HB3 H 1 2.243 0.02 . 2 . . . . A 100 GLN HB3 . 34546 1 1298 . 1 . 1 100 100 GLN HG2 H 1 2.430 0.02 . 1 . . . . A 100 GLN HG2 . 34546 1 1299 . 1 . 1 100 100 GLN HG3 H 1 2.430 0.02 . 1 . . . . A 100 GLN HG3 . 34546 1 1300 . 1 . 1 100 100 GLN HE21 H 1 7.918 0.02 . 1 . . . . A 100 GLN HE21 . 34546 1 1301 . 1 . 1 100 100 GLN HE22 H 1 6.787 0.02 . 1 . . . . A 100 GLN HE22 . 34546 1 1302 . 1 . 1 100 100 GLN C C 13 177.390 0.3 . 1 . . . . A 100 GLN C . 34546 1 1303 . 1 . 1 100 100 GLN CA C 13 58.854 0.3 . 1 . . . . A 100 GLN CA . 34546 1 1304 . 1 . 1 100 100 GLN CB C 13 27.893 0.3 . 1 . . . . A 100 GLN CB . 34546 1 1305 . 1 . 1 100 100 GLN CG C 13 33.085 0.3 . 1 . . . . A 100 GLN CG . 34546 1 1306 . 1 . 1 100 100 GLN CD C 13 180.388 0.3 . 1 . . . . A 100 GLN CD . 34546 1 1307 . 1 . 1 100 100 GLN N N 15 126.157 0.3 . 1 . . . . A 100 GLN N . 34546 1 1308 . 1 . 1 100 100 GLN NE2 N 15 114.866 0.3 . 1 . . . . A 100 GLN NE2 . 34546 1 1309 . 1 . 1 101 101 ALA H H 1 8.832 0.02 . 1 . . . . A 101 ALA H . 34546 1 1310 . 1 . 1 101 101 ALA HA H 1 4.276 0.02 . 1 . . . . A 101 ALA HA . 34546 1 1311 . 1 . 1 101 101 ALA HB1 H 1 1.403 0.02 . 1 . . . . A 101 ALA HB1 . 34546 1 1312 . 1 . 1 101 101 ALA HB2 H 1 1.403 0.02 . 1 . . . . A 101 ALA HB2 . 34546 1 1313 . 1 . 1 101 101 ALA HB3 H 1 1.403 0.02 . 1 . . . . A 101 ALA HB3 . 34546 1 1314 . 1 . 1 101 101 ALA C C 13 180.825 0.3 . 1 . . . . A 101 ALA C . 34546 1 1315 . 1 . 1 101 101 ALA CA C 13 54.831 0.3 . 1 . . . . A 101 ALA CA . 34546 1 1316 . 1 . 1 101 101 ALA CB C 13 19.195 0.3 . 1 . . . . A 101 ALA CB . 34546 1 1317 . 1 . 1 101 101 ALA N N 15 117.068 0.3 . 1 . . . . A 101 ALA N . 34546 1 1318 . 1 . 1 102 102 LEU H H 1 7.477 0.02 . 1 . . . . A 102 LEU H . 34546 1 1319 . 1 . 1 102 102 LEU HA H 1 4.000 0.02 . 1 . . . . A 102 LEU HA . 34546 1 1320 . 1 . 1 102 102 LEU HB2 H 1 1.776 0.02 . 1 . . . . A 102 LEU HB2 . 34546 1 1321 . 1 . 1 102 102 LEU HB3 H 1 1.132 0.02 . 1 . . . . A 102 LEU HB3 . 34546 1 1322 . 1 . 1 102 102 LEU HG H 1 1.131 0.02 . 1 . . . . A 102 LEU HG . 34546 1 1323 . 1 . 1 102 102 LEU HD11 H 1 0.591 0.02 . 2 . . . . A 102 LEU HD11 . 34546 1 1324 . 1 . 1 102 102 LEU HD12 H 1 0.591 0.02 . 2 . . . . A 102 LEU HD12 . 34546 1 1325 . 1 . 1 102 102 LEU HD13 H 1 0.591 0.02 . 2 . . . . A 102 LEU HD13 . 34546 1 1326 . 1 . 1 102 102 LEU HD21 H 1 0.702 0.02 . 2 . . . . A 102 LEU HD21 . 34546 1 1327 . 1 . 1 102 102 LEU HD22 H 1 0.702 0.02 . 2 . . . . A 102 LEU HD22 . 34546 1 1328 . 1 . 1 102 102 LEU HD23 H 1 0.702 0.02 . 2 . . . . A 102 LEU HD23 . 34546 1 1329 . 1 . 1 102 102 LEU C C 13 177.019 0.3 . 1 . . . . A 102 LEU C . 34546 1 1330 . 1 . 1 102 102 LEU CA C 13 57.192 0.3 . 1 . . . . A 102 LEU CA . 34546 1 1331 . 1 . 1 102 102 LEU CB C 13 42.498 0.3 . 1 . . . . A 102 LEU CB . 34546 1 1332 . 1 . 1 102 102 LEU CG C 13 26.769 0.3 . 1 . . . . A 102 LEU CG . 34546 1 1333 . 1 . 1 102 102 LEU CD1 C 13 25.904 0.3 . 2 . . . . A 102 LEU CD1 . 34546 1 1334 . 1 . 1 102 102 LEU CD2 C 13 23.384 0.3 . 2 . . . . A 102 LEU CD2 . 34546 1 1335 . 1 . 1 102 102 LEU N N 15 118.064 0.3 . 1 . . . . A 102 LEU N . 34546 1 1336 . 1 . 1 103 103 VAL H H 1 7.103 0.02 . 1 . . . . A 103 VAL H . 34546 1 1337 . 1 . 1 103 103 VAL HA H 1 3.331 0.02 . 1 . . . . A 103 VAL HA . 34546 1 1338 . 1 . 1 103 103 VAL HB H 1 2.308 0.02 . 1 . . . . A 103 VAL HB . 34546 1 1339 . 1 . 1 103 103 VAL HG11 H 1 1.208 0.02 . 1 . . . . A 103 VAL HG11 . 34546 1 1340 . 1 . 1 103 103 VAL HG12 H 1 1.208 0.02 . 1 . . . . A 103 VAL HG12 . 34546 1 1341 . 1 . 1 103 103 VAL HG13 H 1 1.208 0.02 . 1 . . . . A 103 VAL HG13 . 34546 1 1342 . 1 . 1 103 103 VAL HG21 H 1 0.887 0.02 . 1 . . . . A 103 VAL HG21 . 34546 1 1343 . 1 . 1 103 103 VAL HG22 H 1 0.887 0.02 . 1 . . . . A 103 VAL HG22 . 34546 1 1344 . 1 . 1 103 103 VAL HG23 H 1 0.887 0.02 . 1 . . . . A 103 VAL HG23 . 34546 1 1345 . 1 . 1 103 103 VAL C C 13 178.882 0.3 . 1 . . . . A 103 VAL C . 34546 1 1346 . 1 . 1 103 103 VAL CA C 13 66.931 0.3 . 1 . . . . A 103 VAL CA . 34546 1 1347 . 1 . 1 103 103 VAL CB C 13 31.341 0.3 . 1 . . . . A 103 VAL CB . 34546 1 1348 . 1 . 1 103 103 VAL CG1 C 13 21.683 0.3 . 1 . . . . A 103 VAL CG1 . 34546 1 1349 . 1 . 1 103 103 VAL CG2 C 13 21.499 0.3 . 1 . . . . A 103 VAL CG2 . 34546 1 1350 . 1 . 1 103 103 VAL N N 15 120.232 0.3 . 1 . . . . A 103 VAL N . 34546 1 1351 . 1 . 1 104 104 ASP H H 1 8.760 0.02 . 1 . . . . A 104 ASP H . 34546 1 1352 . 1 . 1 104 104 ASP HA H 1 4.511 0.02 . 1 . . . . A 104 ASP HA . 34546 1 1353 . 1 . 1 104 104 ASP HB2 H 1 2.630 0.02 . 1 . . . . A 104 ASP HB2 . 34546 1 1354 . 1 . 1 104 104 ASP HB3 H 1 2.751 0.02 . 1 . . . . A 104 ASP HB3 . 34546 1 1355 . 1 . 1 104 104 ASP C C 13 178.855 0.3 . 1 . . . . A 104 ASP C . 34546 1 1356 . 1 . 1 104 104 ASP CA C 13 57.778 0.3 . 1 . . . . A 104 ASP CA . 34546 1 1357 . 1 . 1 104 104 ASP CB C 13 39.977 0.3 . 1 . . . . A 104 ASP CB . 34546 1 1358 . 1 . 1 104 104 ASP N N 15 118.800 0.3 . 1 . . . . A 104 ASP N . 34546 1 1359 . 1 . 1 105 105 LEU H H 1 7.664 0.02 . 1 . . . . A 105 LEU H . 34546 1 1360 . 1 . 1 105 105 LEU HA H 1 4.110 0.02 . 1 . . . . A 105 LEU HA . 34546 1 1361 . 1 . 1 105 105 LEU HB2 H 1 1.990 0.02 . 1 . . . . A 105 LEU HB2 . 34546 1 1362 . 1 . 1 105 105 LEU HB3 H 1 1.594 0.02 . 1 . . . . A 105 LEU HB3 . 34546 1 1363 . 1 . 1 105 105 LEU HG H 1 1.381 0.02 . 1 . . . . A 105 LEU HG . 34546 1 1364 . 1 . 1 105 105 LEU HD11 H 1 0.638 0.02 . 2 . . . . A 105 LEU HD11 . 34546 1 1365 . 1 . 1 105 105 LEU HD12 H 1 0.638 0.02 . 2 . . . . A 105 LEU HD12 . 34546 1 1366 . 1 . 1 105 105 LEU HD13 H 1 0.638 0.02 . 2 . . . . A 105 LEU HD13 . 34546 1 1367 . 1 . 1 105 105 LEU HD21 H 1 0.708 0.02 . 2 . . . . A 105 LEU HD21 . 34546 1 1368 . 1 . 1 105 105 LEU HD22 H 1 0.708 0.02 . 2 . . . . A 105 LEU HD22 . 34546 1 1369 . 1 . 1 105 105 LEU HD23 H 1 0.708 0.02 . 2 . . . . A 105 LEU HD23 . 34546 1 1370 . 1 . 1 105 105 LEU C C 13 179.244 0.3 . 1 . . . . A 105 LEU C . 34546 1 1371 . 1 . 1 105 105 LEU CA C 13 58.084 0.3 . 1 . . . . A 105 LEU CA . 34546 1 1372 . 1 . 1 105 105 LEU CB C 13 41.678 0.3 . 1 . . . . A 105 LEU CB . 34546 1 1373 . 1 . 1 105 105 LEU CG C 13 26.718 0.3 . 1 . . . . A 105 LEU CG . 34546 1 1374 . 1 . 1 105 105 LEU CD1 C 13 23.422 0.3 . 2 . . . . A 105 LEU CD1 . 34546 1 1375 . 1 . 1 105 105 LEU CD2 C 13 26.331 0.3 . 2 . . . . A 105 LEU CD2 . 34546 1 1376 . 1 . 1 105 105 LEU N N 15 123.787 0.3 . 1 . . . . A 105 LEU N . 34546 1 1377 . 1 . 1 106 106 TRP H H 1 8.080 0.02 . 1 . . . . A 106 TRP H . 34546 1 1378 . 1 . 1 106 106 TRP HA H 1 4.016 0.02 . 1 . . . . A 106 TRP HA . 34546 1 1379 . 1 . 1 106 106 TRP HB2 H 1 3.080 0.02 . 1 . . . . A 106 TRP HB2 . 34546 1 1380 . 1 . 1 106 106 TRP HB3 H 1 3.844 0.02 . 1 . . . . A 106 TRP HB3 . 34546 1 1381 . 1 . 1 106 106 TRP HD1 H 1 7.115 0.02 . 1 . . . . A 106 TRP HD1 . 34546 1 1382 . 1 . 1 106 106 TRP HE1 H 1 10.286 0.02 . 1 . . . . A 106 TRP HE1 . 34546 1 1383 . 1 . 1 106 106 TRP HE3 H 1 7.936 0.02 . 1 . . . . A 106 TRP HE3 . 34546 1 1384 . 1 . 1 106 106 TRP HZ2 H 1 7.483 0.02 . 1 . . . . A 106 TRP HZ2 . 34546 1 1385 . 1 . 1 106 106 TRP HZ3 H 1 7.190 0.02 . 1 . . . . A 106 TRP HZ3 . 34546 1 1386 . 1 . 1 106 106 TRP HH2 H 1 7.228 0.02 . 1 . . . . A 106 TRP HH2 . 34546 1 1387 . 1 . 1 106 106 TRP C C 13 178.034 0.3 . 1 . . . . A 106 TRP C . 34546 1 1388 . 1 . 1 106 106 TRP CA C 13 62.178 0.3 . 1 . . . . A 106 TRP CA . 34546 1 1389 . 1 . 1 106 106 TRP CB C 13 27.714 0.3 . 1 . . . . A 106 TRP CB . 34546 1 1390 . 1 . 1 106 106 TRP CD1 C 13 125.557 0.3 . 1 . . . . A 106 TRP CD1 . 34546 1 1391 . 1 . 1 106 106 TRP CE2 C 13 138.895 0.3 . 1 . . . . A 106 TRP CE2 . 34546 1 1392 . 1 . 1 106 106 TRP CE3 C 13 120.976 0.3 . 1 . . . . A 106 TRP CE3 . 34546 1 1393 . 1 . 1 106 106 TRP CZ2 C 13 114.930 0.3 . 1 . . . . A 106 TRP CZ2 . 34546 1 1394 . 1 . 1 106 106 TRP CZ3 C 13 121.960 0.3 . 1 . . . . A 106 TRP CZ3 . 34546 1 1395 . 1 . 1 106 106 TRP CH2 C 13 124.676 0.3 . 1 . . . . A 106 TRP CH2 . 34546 1 1396 . 1 . 1 106 106 TRP N N 15 119.477 0.3 . 1 . . . . A 106 TRP N . 34546 1 1397 . 1 . 1 106 106 TRP NE1 N 15 131.436 0.3 . 1 . . . . A 106 TRP NE1 . 34546 1 1398 . 1 . 1 107 107 LYS H H 1 9.097 0.02 . 1 . . . . A 107 LYS H . 34546 1 1399 . 1 . 1 107 107 LYS HA H 1 3.180 0.02 . 1 . . . . A 107 LYS HA . 34546 1 1400 . 1 . 1 107 107 LYS HB2 H 1 2.082 0.02 . 1 . . . . A 107 LYS HB2 . 34546 1 1401 . 1 . 1 107 107 LYS HB3 H 1 1.918 0.02 . 1 . . . . A 107 LYS HB3 . 34546 1 1402 . 1 . 1 107 107 LYS HG2 H 1 1.350 0.02 . 2 . . . . A 107 LYS HG2 . 34546 1 1403 . 1 . 1 107 107 LYS HG3 H 1 1.671 0.02 . 2 . . . . A 107 LYS HG3 . 34546 1 1404 . 1 . 1 107 107 LYS HD2 H 1 1.721 0.02 . 1 . . . . A 107 LYS HD2 . 34546 1 1405 . 1 . 1 107 107 LYS HD3 H 1 1.721 0.02 . 1 . . . . A 107 LYS HD3 . 34546 1 1406 . 1 . 1 107 107 LYS HE2 H 1 2.987 0.02 . 1 . . . . A 107 LYS HE2 . 34546 1 1407 . 1 . 1 107 107 LYS HE3 H 1 2.987 0.02 . 1 . . . . A 107 LYS HE3 . 34546 1 1408 . 1 . 1 107 107 LYS C C 13 178.820 0.3 . 1 . . . . A 107 LYS C . 34546 1 1409 . 1 . 1 107 107 LYS CA C 13 60.199 0.3 . 1 . . . . A 107 LYS CA . 34546 1 1410 . 1 . 1 107 107 LYS CB C 13 33.915 0.3 . 1 . . . . A 107 LYS CB . 34546 1 1411 . 1 . 1 107 107 LYS CG C 13 25.763 0.3 . 1 . . . . A 107 LYS CG . 34546 1 1412 . 1 . 1 107 107 LYS CD C 13 29.523 0.3 . 1 . . . . A 107 LYS CD . 34546 1 1413 . 1 . 1 107 107 LYS CE C 13 42.186 0.3 . 1 . . . . A 107 LYS CE . 34546 1 1414 . 1 . 1 107 107 LYS N N 15 120.212 0.3 . 1 . . . . A 107 LYS N . 34546 1 1415 . 1 . 1 108 108 THR H H 1 8.471 0.02 . 1 . . . . A 108 THR H . 34546 1 1416 . 1 . 1 108 108 THR HA H 1 4.498 0.02 . 1 . . . . A 108 THR HA . 34546 1 1417 . 1 . 1 108 108 THR HB H 1 4.279 0.02 . 1 . . . . A 108 THR HB . 34546 1 1418 . 1 . 1 108 108 THR HG21 H 1 1.220 0.02 . 1 . . . . A 108 THR HG21 . 34546 1 1419 . 1 . 1 108 108 THR HG22 H 1 1.220 0.02 . 1 . . . . A 108 THR HG22 . 34546 1 1420 . 1 . 1 108 108 THR HG23 H 1 1.220 0.02 . 1 . . . . A 108 THR HG23 . 34546 1 1421 . 1 . 1 108 108 THR C C 13 176.454 0.3 . 1 . . . . A 108 THR C . 34546 1 1422 . 1 . 1 108 108 THR CA C 13 62.209 0.3 . 1 . . . . A 108 THR CA . 34546 1 1423 . 1 . 1 108 108 THR CB C 13 72.302 0.3 . 1 . . . . A 108 THR CB . 34546 1 1424 . 1 . 1 108 108 THR CG2 C 13 21.184 0.3 . 1 . . . . A 108 THR CG2 . 34546 1 1425 . 1 . 1 108 108 THR N N 15 105.491 0.3 . 1 . . . . A 108 THR N . 34546 1 1426 . 1 . 1 109 109 GLY H H 1 8.337 0.02 . 1 . . . . A 109 GLY H . 34546 1 1427 . 1 . 1 109 109 GLY HA2 H 1 3.645 0.02 . 1 . . . . A 109 GLY HA2 . 34546 1 1428 . 1 . 1 109 109 GLY HA3 H 1 4.074 0.02 . 1 . . . . A 109 GLY HA3 . 34546 1 1429 . 1 . 1 109 109 GLY C C 13 172.347 0.3 . 1 . . . . A 109 GLY C . 34546 1 1430 . 1 . 1 109 109 GLY CA C 13 45.975 0.3 . 1 . . . . A 109 GLY CA . 34546 1 1431 . 1 . 1 109 109 GLY N N 15 112.206 0.3 . 1 . . . . A 109 GLY N . 34546 1 1432 . 1 . 1 110 110 GLN H H 1 7.834 0.02 . 1 . . . . A 110 GLN H . 34546 1 1433 . 1 . 1 110 110 GLN HA H 1 4.430 0.02 . 1 . . . . A 110 GLN HA . 34546 1 1434 . 1 . 1 110 110 GLN HB2 H 1 1.836 0.02 . 2 . . . . A 110 GLN HB2 . 34546 1 1435 . 1 . 1 110 110 GLN HB3 H 1 1.928 0.02 . 2 . . . . A 110 GLN HB3 . 34546 1 1436 . 1 . 1 110 110 GLN HG2 H 1 2.197 0.02 . 1 . . . . A 110 GLN HG2 . 34546 1 1437 . 1 . 1 110 110 GLN HG3 H 1 2.197 0.02 . 1 . . . . A 110 GLN HG3 . 34546 1 1438 . 1 . 1 110 110 GLN HE21 H 1 7.579 0.02 . 1 . . . . A 110 GLN HE21 . 34546 1 1439 . 1 . 1 110 110 GLN HE22 H 1 6.780 0.02 . 1 . . . . A 110 GLN HE22 . 34546 1 1440 . 1 . 1 110 110 GLN C C 13 174.484 0.3 . 1 . . . . A 110 GLN C . 34546 1 1441 . 1 . 1 110 110 GLN CA C 13 54.727 0.3 . 1 . . . . A 110 GLN CA . 34546 1 1442 . 1 . 1 110 110 GLN CB C 13 30.669 0.3 . 1 . . . . A 110 GLN CB . 34546 1 1443 . 1 . 1 110 110 GLN CG C 13 33.418 0.3 . 1 . . . . A 110 GLN CG . 34546 1 1444 . 1 . 1 110 110 GLN CD C 13 180.587 0.3 . 1 . . . . A 110 GLN CD . 34546 1 1445 . 1 . 1 110 110 GLN N N 15 118.585 0.3 . 1 . . . . A 110 GLN N . 34546 1 1446 . 1 . 1 110 110 GLN NE2 N 15 112.515 0.3 . 1 . . . . A 110 GLN NE2 . 34546 1 1447 . 1 . 1 111 111 VAL H H 1 8.484 0.02 . 1 . . . . A 111 VAL H . 34546 1 1448 . 1 . 1 111 111 VAL HA H 1 4.071 0.02 . 1 . . . . A 111 VAL HA . 34546 1 1449 . 1 . 1 111 111 VAL HB H 1 1.965 0.02 . 1 . . . . A 111 VAL HB . 34546 1 1450 . 1 . 1 111 111 VAL HG11 H 1 0.967 0.02 . 1 . . . . A 111 VAL HG11 . 34546 1 1451 . 1 . 1 111 111 VAL HG12 H 1 0.967 0.02 . 1 . . . . A 111 VAL HG12 . 34546 1 1452 . 1 . 1 111 111 VAL HG13 H 1 0.967 0.02 . 1 . . . . A 111 VAL HG13 . 34546 1 1453 . 1 . 1 111 111 VAL HG21 H 1 0.861 0.02 . 1 . . . . A 111 VAL HG21 . 34546 1 1454 . 1 . 1 111 111 VAL HG22 H 1 0.861 0.02 . 1 . . . . A 111 VAL HG22 . 34546 1 1455 . 1 . 1 111 111 VAL HG23 H 1 0.861 0.02 . 1 . . . . A 111 VAL HG23 . 34546 1 1456 . 1 . 1 111 111 VAL C C 13 175.420 0.3 . 1 . . . . A 111 VAL C . 34546 1 1457 . 1 . 1 111 111 VAL CA C 13 61.608 0.3 . 1 . . . . A 111 VAL CA . 34546 1 1458 . 1 . 1 111 111 VAL CB C 13 32.652 0.3 . 1 . . . . A 111 VAL CB . 34546 1 1459 . 1 . 1 111 111 VAL CG1 C 13 21.329 0.3 . 1 . . . . A 111 VAL CG1 . 34546 1 1460 . 1 . 1 111 111 VAL CG2 C 13 21.741 0.3 . 1 . . . . A 111 VAL CG2 . 34546 1 1461 . 1 . 1 111 111 VAL N N 15 122.045 0.3 . 1 . . . . A 111 VAL N . 34546 1 1462 . 1 . 1 112 112 ASP H H 1 8.495 0.02 . 1 . . . . A 112 ASP H . 34546 1 1463 . 1 . 1 112 112 ASP HA H 1 4.592 0.02 . 1 . . . . A 112 ASP HA . 34546 1 1464 . 1 . 1 112 112 ASP HB2 H 1 2.550 0.02 . 2 . . . . A 112 ASP HB2 . 34546 1 1465 . 1 . 1 112 112 ASP HB3 H 1 2.777 0.02 . 2 . . . . A 112 ASP HB3 . 34546 1 1466 . 1 . 1 112 112 ASP C C 13 175.058 0.3 . 1 . . . . A 112 ASP C . 34546 1 1467 . 1 . 1 112 112 ASP CA C 13 54.534 0.3 . 1 . . . . A 112 ASP CA . 34546 1 1468 . 1 . 1 112 112 ASP CB C 13 41.435 0.3 . 1 . . . . A 112 ASP CB . 34546 1 1469 . 1 . 1 112 112 ASP N N 15 126.649 0.3 . 1 . . . . A 112 ASP N . 34546 1 1470 . 1 . 1 113 113 GLU H H 1 8.022 0.02 . 1 . . . . A 113 GLU H . 34546 1 1471 . 1 . 1 113 113 GLU HA H 1 4.004 0.02 . 1 . . . . A 113 GLU HA . 34546 1 1472 . 1 . 1 113 113 GLU HB2 H 1 1.863 0.02 . 2 . . . . A 113 GLU HB2 . 34546 1 1473 . 1 . 1 113 113 GLU HB3 H 1 1.987 0.02 . 2 . . . . A 113 GLU HB3 . 34546 1 1474 . 1 . 1 113 113 GLU HG2 H 1 2.187 0.02 . 1 . . . . A 113 GLU HG2 . 34546 1 1475 . 1 . 1 113 113 GLU HG3 H 1 2.187 0.02 . 1 . . . . A 113 GLU HG3 . 34546 1 1476 . 1 . 1 113 113 GLU C C 13 181.099 0.3 . 1 . . . . A 113 GLU C . 34546 1 1477 . 1 . 1 113 113 GLU CA C 13 58.368 0.3 . 1 . . . . A 113 GLU CA . 34546 1 1478 . 1 . 1 113 113 GLU CB C 13 31.389 0.3 . 1 . . . . A 113 GLU CB . 34546 1 1479 . 1 . 1 113 113 GLU CG C 13 36.948 0.3 . 1 . . . . A 113 GLU CG . 34546 1 1480 . 1 . 1 113 113 GLU N N 15 125.002 0.3 . 1 . . . . A 113 GLU N . 34546 1 stop_ save_