data_30394 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30394 _Entry.Title ; Solution structure of a phosphate-loop protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-01-09 _Entry.Accession_date 2018-01-09 _Entry.Last_release_date 2018-02-12 _Entry.Original_release_date 2018-02-12 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30394 stop_ loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 F. Yang F. . . . 30394 2 W. Yang W. . . . 30394 3 Y. Lin Y. R. . . 30394 4 M. 'Romero Romero' M. L. . . 30394 5 D. Tawfik D. . . . 30394 6 D. Baker D. . . . 30394 7 G. Varani G. . . . 30394 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DE NOVO PROTEIN' . 30394 grafting . 30394 'ideal fold' . 30394 'phosphate loop' . 30394 'protein design' . 30394 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30394 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 461 30394 '15N chemical shifts' 113 30394 '1H chemical shifts' 701 30394 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 . . 2019-05-07 2018-01-09 update BMRB 'update entry citation' 30394 1 . . 2018-11-13 2018-01-09 original author 'original release' 30394 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6C2U . 30394 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30394 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1073/pnas.1812400115 _Citation.PubMed_ID 30504143 _Citation.Full_citation . _Citation.Title ; Simple yet functional phosphate-loop proteins. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 115 _Citation.Journal_issue 51 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1091-6490 _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 E11943 _Citation.Page_last E11950 _Citation.Year 2018 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'Maria Luisa' 'Romero Romero' M. L. . . 30394 1 2 Fan Yang F. . . . 30394 1 3 Yu-Ru Lin Y. R. . . 30394 1 4 Agnes Toth-Petroczy A. . . . 30394 1 5 Igor Berezovsky I. N. . . 30394 1 6 Alexander Goncearenco A. . . . 30394 1 7 Wen Yang W. . . . 30394 1 8 Alon Wellner A. . . . 30394 1 9 Fanindra Kumar-Deshmukh F. . . . 30394 1 10 Michal Sharon M. . . . 30394 1 11 David Baker D. . . . 30394 1 12 Gabriele Varani G. . . . 30394 1 13 Dan Tawfik D. S. . . 30394 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30394 _Assembly.ID 1 _Assembly.Name 'phosphate-loop 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 entity_1 1 $entity_1 A A yes . . . . . . 30394 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30394 _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 ; MRVIVVIVGPSGAGKTTLDE LARKAKEEVPDAEIRTVTTK EDAKRVAEEAERRNADIVVI VGPSGSGKSTLAKIVKKIIA RAGAKTIEVTTEEELRKAVA KARGSWSLEHHHHHH ; _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 115 _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 . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12501.373 _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 . 30394 1 2 . ARG . 30394 1 3 . VAL . 30394 1 4 . ILE . 30394 1 5 . VAL . 30394 1 6 . VAL . 30394 1 7 . ILE . 30394 1 8 . VAL . 30394 1 9 . GLY . 30394 1 10 . PRO . 30394 1 11 . SER . 30394 1 12 . GLY . 30394 1 13 . ALA . 30394 1 14 . GLY . 30394 1 15 . LYS . 30394 1 16 . THR . 30394 1 17 . THR . 30394 1 18 . LEU . 30394 1 19 . ASP . 30394 1 20 . GLU . 30394 1 21 . LEU . 30394 1 22 . ALA . 30394 1 23 . ARG . 30394 1 24 . LYS . 30394 1 25 . ALA . 30394 1 26 . LYS . 30394 1 27 . GLU . 30394 1 28 . GLU . 30394 1 29 . VAL . 30394 1 30 . PRO . 30394 1 31 . ASP . 30394 1 32 . ALA . 30394 1 33 . GLU . 30394 1 34 . ILE . 30394 1 35 . ARG . 30394 1 36 . THR . 30394 1 37 . VAL . 30394 1 38 . THR . 30394 1 39 . THR . 30394 1 40 . LYS . 30394 1 41 . GLU . 30394 1 42 . ASP . 30394 1 43 . ALA . 30394 1 44 . LYS . 30394 1 45 . ARG . 30394 1 46 . VAL . 30394 1 47 . ALA . 30394 1 48 . GLU . 30394 1 49 . GLU . 30394 1 50 . ALA . 30394 1 51 . GLU . 30394 1 52 . ARG . 30394 1 53 . ARG . 30394 1 54 . ASN . 30394 1 55 . ALA . 30394 1 56 . ASP . 30394 1 57 . ILE . 30394 1 58 . VAL . 30394 1 59 . VAL . 30394 1 60 . ILE . 30394 1 61 . VAL . 30394 1 62 . GLY . 30394 1 63 . PRO . 30394 1 64 . SER . 30394 1 65 . GLY . 30394 1 66 . SER . 30394 1 67 . GLY . 30394 1 68 . LYS . 30394 1 69 . SER . 30394 1 70 . THR . 30394 1 71 . LEU . 30394 1 72 . ALA . 30394 1 73 . LYS . 30394 1 74 . ILE . 30394 1 75 . VAL . 30394 1 76 . LYS . 30394 1 77 . LYS . 30394 1 78 . ILE . 30394 1 79 . ILE . 30394 1 80 . ALA . 30394 1 81 . ARG . 30394 1 82 . ALA . 30394 1 83 . GLY . 30394 1 84 . ALA . 30394 1 85 . LYS . 30394 1 86 . THR . 30394 1 87 . ILE . 30394 1 88 . GLU . 30394 1 89 . VAL . 30394 1 90 . THR . 30394 1 91 . THR . 30394 1 92 . GLU . 30394 1 93 . GLU . 30394 1 94 . GLU . 30394 1 95 . LEU . 30394 1 96 . ARG . 30394 1 97 . LYS . 30394 1 98 . ALA . 30394 1 99 . VAL . 30394 1 100 . ALA . 30394 1 101 . LYS . 30394 1 102 . ALA . 30394 1 103 . ARG . 30394 1 104 . GLY . 30394 1 105 . SER . 30394 1 106 . TRP . 30394 1 107 . SER . 30394 1 108 . LEU . 30394 1 109 . GLU . 30394 1 110 . HIS . 30394 1 111 . HIS . 30394 1 112 . HIS . 30394 1 113 . HIS . 30394 1 114 . HIS . 30394 1 115 . HIS . 30394 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 30394 1 . ARG 2 2 30394 1 . VAL 3 3 30394 1 . ILE 4 4 30394 1 . VAL 5 5 30394 1 . VAL 6 6 30394 1 . ILE 7 7 30394 1 . VAL 8 8 30394 1 . GLY 9 9 30394 1 . PRO 10 10 30394 1 . SER 11 11 30394 1 . GLY 12 12 30394 1 . ALA 13 13 30394 1 . GLY 14 14 30394 1 . LYS 15 15 30394 1 . THR 16 16 30394 1 . THR 17 17 30394 1 . LEU 18 18 30394 1 . ASP 19 19 30394 1 . GLU 20 20 30394 1 . LEU 21 21 30394 1 . ALA 22 22 30394 1 . ARG 23 23 30394 1 . LYS 24 24 30394 1 . ALA 25 25 30394 1 . LYS 26 26 30394 1 . GLU 27 27 30394 1 . GLU 28 28 30394 1 . VAL 29 29 30394 1 . PRO 30 30 30394 1 . ASP 31 31 30394 1 . ALA 32 32 30394 1 . GLU 33 33 30394 1 . ILE 34 34 30394 1 . ARG 35 35 30394 1 . THR 36 36 30394 1 . VAL 37 37 30394 1 . THR 38 38 30394 1 . THR 39 39 30394 1 . LYS 40 40 30394 1 . GLU 41 41 30394 1 . ASP 42 42 30394 1 . ALA 43 43 30394 1 . LYS 44 44 30394 1 . ARG 45 45 30394 1 . VAL 46 46 30394 1 . ALA 47 47 30394 1 . GLU 48 48 30394 1 . GLU 49 49 30394 1 . ALA 50 50 30394 1 . GLU 51 51 30394 1 . ARG 52 52 30394 1 . ARG 53 53 30394 1 . ASN 54 54 30394 1 . ALA 55 55 30394 1 . ASP 56 56 30394 1 . ILE 57 57 30394 1 . VAL 58 58 30394 1 . VAL 59 59 30394 1 . ILE 60 60 30394 1 . VAL 61 61 30394 1 . GLY 62 62 30394 1 . PRO 63 63 30394 1 . SER 64 64 30394 1 . GLY 65 65 30394 1 . SER 66 66 30394 1 . GLY 67 67 30394 1 . LYS 68 68 30394 1 . SER 69 69 30394 1 . THR 70 70 30394 1 . LEU 71 71 30394 1 . ALA 72 72 30394 1 . LYS 73 73 30394 1 . ILE 74 74 30394 1 . VAL 75 75 30394 1 . LYS 76 76 30394 1 . LYS 77 77 30394 1 . ILE 78 78 30394 1 . ILE 79 79 30394 1 . ALA 80 80 30394 1 . ARG 81 81 30394 1 . ALA 82 82 30394 1 . GLY 83 83 30394 1 . ALA 84 84 30394 1 . LYS 85 85 30394 1 . THR 86 86 30394 1 . ILE 87 87 30394 1 . GLU 88 88 30394 1 . VAL 89 89 30394 1 . THR 90 90 30394 1 . THR 91 91 30394 1 . GLU 92 92 30394 1 . GLU 93 93 30394 1 . GLU 94 94 30394 1 . LEU 95 95 30394 1 . ARG 96 96 30394 1 . LYS 97 97 30394 1 . ALA 98 98 30394 1 . VAL 99 99 30394 1 . ALA 100 100 30394 1 . LYS 101 101 30394 1 . ALA 102 102 30394 1 . ARG 103 103 30394 1 . GLY 104 104 30394 1 . SER 105 105 30394 1 . TRP 106 106 30394 1 . SER 107 107 30394 1 . LEU 108 108 30394 1 . GLU 109 109 30394 1 . HIS 110 110 30394 1 . HIS 111 111 30394 1 . HIS 112 112 30394 1 . HIS 113 113 30394 1 . HIS 114 114 30394 1 . HIS 115 115 30394 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 30394 _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 . 32630 . . 'synthetic construct' . . . . . . . . . . . . . . . . . . . . 30394 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 30394 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 30394 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30394 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '2.0 mM [U-13C; U-15N] protein, 10 mM sodium phosphate, 50 mM sodium chloride, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 protein '[U-13C; U-15N]' . . 1 $entity_1 . . 2.0 . . mM . . . . 30394 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 30394 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 30394 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30394 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-100% 15N] protein, 10 mM sodium phosphate, 50 mM sodium chloride, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 protein '[U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 30394 2 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 30394 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 30394 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30394 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '2 mM [U-13C; U-15N] protein, 10 mM sodium phosphate, 50 mM sodium chloride, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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-13C; U-15N]' . . 1 $entity_1 . . 2 . . mM . . . . 30394 3 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 30394 3 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 30394 3 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 30394 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 30394 1 pH 6.0 . pH 30394 1 pressure 1 . atm 30394 1 temperature 298 . K 30394 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30394 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 30394 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30394 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30394 _Software.ID 2 _Software.Type . _Software.Name AMBER _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 30394 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30394 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30394 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30394 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30394 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30394 _Software.ID 4 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30394 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30394 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30394 _Software.ID 5 _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' . . 30394 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30394 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30394 _Software.ID 6 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 30394 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 30394 6 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 30394 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30394 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 30394 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 600 . . . 30394 1 2 NMR_spectrometer_2 Bruker Avance . 800 . . . 30394 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 30394 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30394 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30394 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30394 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30394 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30394 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30394 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30394 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30394 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30394 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30394 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 30394 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30394 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30394 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30394 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 30394 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30394 1 2 '2D 1H-13C HSQC' . . . 30394 1 3 '3D CBCA(CO)NH' . . . 30394 1 4 '3D HNCACB' . . . 30394 1 5 '3D HNCA' . . . 30394 1 6 '3D HNCO' . . . 30394 1 7 '3D HBHA(CO)NH' . . . 30394 1 8 '3D HCCH-TOCSY' . . . 30394 1 9 '3D 1H-15N NOESY' . . . 30394 1 10 '3D 1H-13C NOESY' . . . 30394 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 3.668 0.000 . . . . . . A 1 MET HA . 30394 1 2 . 1 1 1 1 MET HB2 H 1 1.443 0.000 . . . . . . A 1 MET HB2 . 30394 1 3 . 1 1 1 1 MET HB3 H 1 1.626 0.000 . . . . . . A 1 MET HB3 . 30394 1 4 . 1 1 1 1 MET HG2 H 1 1.942 0.000 . . . . . . A 1 MET HG2 . 30394 1 5 . 1 1 1 1 MET HG3 H 1 1.728 0.000 . . . . . . A 1 MET HG3 . 30394 1 6 . 1 1 1 1 MET HE1 H 1 1.759 0.000 . . . . . . A 1 MET HE1 . 30394 1 7 . 1 1 1 1 MET HE2 H 1 1.759 0.000 . . . . . . A 1 MET HE2 . 30394 1 8 . 1 1 1 1 MET HE3 H 1 1.759 0.000 . . . . . . A 1 MET HE3 . 30394 1 9 . 1 1 1 1 MET C C 13 172.163 0.015 . . . . . . A 1 MET C . 30394 1 10 . 1 1 1 1 MET CA C 13 55.286 0.000 . . . . . . A 1 MET CA . 30394 1 11 . 1 1 1 1 MET CB C 13 33.379 0.009 . . . . . . A 1 MET CB . 30394 1 12 . 1 1 1 1 MET CG C 13 31.113 0.030 . . . . . . A 1 MET CG . 30394 1 13 . 1 1 1 1 MET CE C 13 17.154 0.000 . . . . . . A 1 MET CE . 30394 1 14 . 1 1 2 2 ARG H H 1 10.138 0.002 . . . . . . A 2 ARG H . 30394 1 15 . 1 1 2 2 ARG HA H 1 4.575 0.000 . . . . . . A 2 ARG HA . 30394 1 16 . 1 1 2 2 ARG HB2 H 1 1.773 0.000 . . . . . . A 2 ARG HB2 . 30394 1 17 . 1 1 2 2 ARG HB3 H 1 1.843 0.000 . . . . . . A 2 ARG HB3 . 30394 1 18 . 1 1 2 2 ARG HG2 H 1 1.510 0.000 . . . . . . A 2 ARG HG2 . 30394 1 19 . 1 1 2 2 ARG HG3 H 1 1.681 0.000 . . . . . . A 2 ARG HG3 . 30394 1 20 . 1 1 2 2 ARG HD2 H 1 3.114 0.000 . . . . . . A 2 ARG HD2 . 30394 1 21 . 1 1 2 2 ARG HD3 H 1 3.249 0.000 . . . . . . A 2 ARG HD3 . 30394 1 22 . 1 1 2 2 ARG HE H 1 7.214 0.000 . . . . . . A 2 ARG HE . 30394 1 23 . 1 1 2 2 ARG C C 13 174.899 0.027 . . . . . . A 2 ARG C . 30394 1 24 . 1 1 2 2 ARG CA C 13 56.164 0.000 . . . . . . A 2 ARG CA . 30394 1 25 . 1 1 2 2 ARG CB C 13 31.205 0.014 . . . . . . A 2 ARG CB . 30394 1 26 . 1 1 2 2 ARG CG C 13 27.612 0.000 . . . . . . A 2 ARG CG . 30394 1 27 . 1 1 2 2 ARG CD C 13 43.195 0.012 . . . . . . A 2 ARG CD . 30394 1 28 . 1 1 2 2 ARG N N 15 127.774 0.012 . . . . . . A 2 ARG N . 30394 1 29 . 1 1 2 2 ARG NE N 15 84.393 0.000 . . . . . . A 2 ARG NE . 30394 1 30 . 1 1 3 3 VAL H H 1 8.843 0.002 . . . . . . A 3 VAL H . 30394 1 31 . 1 1 3 3 VAL HA H 1 4.907 0.000 . . . . . . A 3 VAL HA . 30394 1 32 . 1 1 3 3 VAL HB H 1 1.825 0.000 . . . . . . A 3 VAL HB . 30394 1 33 . 1 1 3 3 VAL HG11 H 1 0.701 0.000 . . . . . . A 3 VAL HG11 . 30394 1 34 . 1 1 3 3 VAL HG12 H 1 0.701 0.000 . . . . . . A 3 VAL HG12 . 30394 1 35 . 1 1 3 3 VAL HG13 H 1 0.701 0.000 . . . . . . A 3 VAL HG13 . 30394 1 36 . 1 1 3 3 VAL C C 13 175.253 0.000 . . . . . . A 3 VAL C . 30394 1 37 . 1 1 3 3 VAL CA C 13 60.721 0.000 . . . . . . A 3 VAL CA . 30394 1 38 . 1 1 3 3 VAL CB C 13 34.407 0.000 . . . . . . A 3 VAL CB . 30394 1 39 . 1 1 3 3 VAL CG1 C 13 21.139 0.000 . . . . . . A 3 VAL CG1 . 30394 1 40 . 1 1 3 3 VAL N N 15 126.944 0.018 . . . . . . A 3 VAL N . 30394 1 41 . 1 1 4 4 ILE H H 1 8.402 0.003 . . . . . . A 4 ILE H . 30394 1 42 . 1 1 4 4 ILE HA H 1 4.936 0.000 . . . . . . A 4 ILE HA . 30394 1 43 . 1 1 4 4 ILE HB H 1 1.632 0.000 . . . . . . A 4 ILE HB . 30394 1 44 . 1 1 4 4 ILE HG12 H 1 1.023 0.000 . . . . . . A 4 ILE HG12 . 30394 1 45 . 1 1 4 4 ILE HG13 H 1 1.477 0.000 . . . . . . A 4 ILE HG13 . 30394 1 46 . 1 1 4 4 ILE HG21 H 1 0.691 0.000 . . . . . . A 4 ILE HG21 . 30394 1 47 . 1 1 4 4 ILE HG22 H 1 0.691 0.000 . . . . . . A 4 ILE HG22 . 30394 1 48 . 1 1 4 4 ILE HG23 H 1 0.691 0.000 . . . . . . A 4 ILE HG23 . 30394 1 49 . 1 1 4 4 ILE HD11 H 1 0.682 0.000 . . . . . . A 4 ILE HD11 . 30394 1 50 . 1 1 4 4 ILE HD12 H 1 0.682 0.000 . . . . . . A 4 ILE HD12 . 30394 1 51 . 1 1 4 4 ILE HD13 H 1 0.682 0.000 . . . . . . A 4 ILE HD13 . 30394 1 52 . 1 1 4 4 ILE C C 13 174.264 0.011 . . . . . . A 4 ILE C . 30394 1 53 . 1 1 4 4 ILE CA C 13 59.510 0.000 . . . . . . A 4 ILE CA . 30394 1 54 . 1 1 4 4 ILE CB C 13 41.043 0.000 . . . . . . A 4 ILE CB . 30394 1 55 . 1 1 4 4 ILE CG1 C 13 27.874 0.011 . . . . . . A 4 ILE CG1 . 30394 1 56 . 1 1 4 4 ILE CG2 C 13 16.540 0.000 . . . . . . A 4 ILE CG2 . 30394 1 57 . 1 1 4 4 ILE CD1 C 13 13.104 0.000 . . . . . . A 4 ILE CD1 . 30394 1 58 . 1 1 4 4 ILE N N 15 127.176 0.013 . . . . . . A 4 ILE N . 30394 1 59 . 1 1 5 5 VAL H H 1 9.189 0.002 . . . . . . A 5 VAL H . 30394 1 60 . 1 1 5 5 VAL HA H 1 4.698 0.000 . . . . . . A 5 VAL HA . 30394 1 61 . 1 1 5 5 VAL HB H 1 2.012 0.000 . . . . . . A 5 VAL HB . 30394 1 62 . 1 1 5 5 VAL HG11 H 1 0.680 0.000 . . . . . . A 5 VAL HG11 . 30394 1 63 . 1 1 5 5 VAL HG12 H 1 0.680 0.000 . . . . . . A 5 VAL HG12 . 30394 1 64 . 1 1 5 5 VAL HG13 H 1 0.680 0.000 . . . . . . A 5 VAL HG13 . 30394 1 65 . 1 1 5 5 VAL C C 13 173.452 0.010 . . . . . . A 5 VAL C . 30394 1 66 . 1 1 5 5 VAL CA C 13 60.704 0.000 . . . . . . A 5 VAL CA . 30394 1 67 . 1 1 5 5 VAL CB C 13 33.126 0.000 . . . . . . A 5 VAL CB . 30394 1 68 . 1 1 5 5 VAL CG1 C 13 21.106 0.000 . . . . . . A 5 VAL CG1 . 30394 1 69 . 1 1 5 5 VAL N N 15 128.156 0.016 . . . . . . A 5 VAL N . 30394 1 70 . 1 1 6 6 VAL H H 1 9.617 0.002 . . . . . . A 6 VAL H . 30394 1 71 . 1 1 6 6 VAL HA H 1 4.703 0.000 . . . . . . A 6 VAL HA . 30394 1 72 . 1 1 6 6 VAL HB H 1 1.952 0.000 . . . . . . A 6 VAL HB . 30394 1 73 . 1 1 6 6 VAL HG11 H 1 0.691 0.000 . . . . . . A 6 VAL HG11 . 30394 1 74 . 1 1 6 6 VAL HG12 H 1 0.691 0.000 . . . . . . A 6 VAL HG12 . 30394 1 75 . 1 1 6 6 VAL HG13 H 1 0.691 0.000 . . . . . . A 6 VAL HG13 . 30394 1 76 . 1 1 6 6 VAL HG21 H 1 0.724 0.000 . . . . . . A 6 VAL HG21 . 30394 1 77 . 1 1 6 6 VAL HG22 H 1 0.724 0.000 . . . . . . A 6 VAL HG22 . 30394 1 78 . 1 1 6 6 VAL HG23 H 1 0.724 0.000 . . . . . . A 6 VAL HG23 . 30394 1 79 . 1 1 6 6 VAL C C 13 174.004 0.053 . . . . . . A 6 VAL C . 30394 1 80 . 1 1 6 6 VAL CA C 13 60.803 0.000 . . . . . . A 6 VAL CA . 30394 1 81 . 1 1 6 6 VAL CB C 13 33.425 0.000 . . . . . . A 6 VAL CB . 30394 1 82 . 1 1 6 6 VAL CG1 C 13 22.548 0.000 . . . . . . A 6 VAL CG1 . 30394 1 83 . 1 1 6 6 VAL CG2 C 13 22.249 0.000 . . . . . . A 6 VAL CG2 . 30394 1 84 . 1 1 6 6 VAL N N 15 128.048 0.012 . . . . . . A 6 VAL N . 30394 1 85 . 1 1 7 7 ILE H H 1 9.095 0.002 . . . . . . A 7 ILE H . 30394 1 86 . 1 1 7 7 ILE HA H 1 4.455 0.000 . . . . . . A 7 ILE HA . 30394 1 87 . 1 1 7 7 ILE HB H 1 1.960 0.000 . . . . . . A 7 ILE HB . 30394 1 88 . 1 1 7 7 ILE HG12 H 1 1.132 0.000 . . . . . . A 7 ILE HG12 . 30394 1 89 . 1 1 7 7 ILE HG13 H 1 1.292 0.000 . . . . . . A 7 ILE HG13 . 30394 1 90 . 1 1 7 7 ILE HG21 H 1 0.818 0.000 . . . . . . A 7 ILE HG21 . 30394 1 91 . 1 1 7 7 ILE HG22 H 1 0.818 0.000 . . . . . . A 7 ILE HG22 . 30394 1 92 . 1 1 7 7 ILE HG23 H 1 0.818 0.000 . . . . . . A 7 ILE HG23 . 30394 1 93 . 1 1 7 7 ILE HD11 H 1 0.629 0.000 . . . . . . A 7 ILE HD11 . 30394 1 94 . 1 1 7 7 ILE HD12 H 1 0.629 0.000 . . . . . . A 7 ILE HD12 . 30394 1 95 . 1 1 7 7 ILE HD13 H 1 0.629 0.000 . . . . . . A 7 ILE HD13 . 30394 1 96 . 1 1 7 7 ILE C C 13 174.971 0.038 . . . . . . A 7 ILE C . 30394 1 97 . 1 1 7 7 ILE CA C 13 59.631 0.000 . . . . . . A 7 ILE CA . 30394 1 98 . 1 1 7 7 ILE CB C 13 38.374 0.000 . . . . . . A 7 ILE CB . 30394 1 99 . 1 1 7 7 ILE CG1 C 13 27.280 0.014 . . . . . . A 7 ILE CG1 . 30394 1 100 . 1 1 7 7 ILE CG2 C 13 18.207 0.000 . . . . . . A 7 ILE CG2 . 30394 1 101 . 1 1 7 7 ILE CD1 C 13 12.393 0.000 . . . . . . A 7 ILE CD1 . 30394 1 102 . 1 1 7 7 ILE N N 15 127.980 0.036 . . . . . . A 7 ILE N . 30394 1 103 . 1 1 8 8 VAL H H 1 8.502 0.002 . . . . . . A 8 VAL H . 30394 1 104 . 1 1 8 8 VAL HA H 1 4.582 0.000 . . . . . . A 8 VAL HA . 30394 1 105 . 1 1 8 8 VAL HB H 1 2.121 0.000 . . . . . . A 8 VAL HB . 30394 1 106 . 1 1 8 8 VAL HG11 H 1 0.883 0.000 . . . . . . A 8 VAL HG11 . 30394 1 107 . 1 1 8 8 VAL HG12 H 1 0.883 0.000 . . . . . . A 8 VAL HG12 . 30394 1 108 . 1 1 8 8 VAL HG13 H 1 0.883 0.000 . . . . . . A 8 VAL HG13 . 30394 1 109 . 1 1 8 8 VAL C C 13 175.817 0.010 . . . . . . A 8 VAL C . 30394 1 110 . 1 1 8 8 VAL CA C 13 61.517 0.000 . . . . . . A 8 VAL CA . 30394 1 111 . 1 1 8 8 VAL CB C 13 32.363 0.000 . . . . . . A 8 VAL CB . 30394 1 112 . 1 1 8 8 VAL CG1 C 13 21.866 0.000 . . . . . . A 8 VAL CG1 . 30394 1 113 . 1 1 8 8 VAL N N 15 127.293 0.018 . . . . . . A 8 VAL N . 30394 1 114 . 1 1 9 9 GLY H H 1 8.576 0.003 . . . . . . A 9 GLY H . 30394 1 115 . 1 1 9 9 GLY HA2 H 1 3.535 0.000 . . . . . . A 9 GLY HA2 . 30394 1 116 . 1 1 9 9 GLY HA3 H 1 4.258 0.000 . . . . . . A 9 GLY HA3 . 30394 1 117 . 1 1 9 9 GLY C C 13 170.618 0.000 . . . . . . A 9 GLY C . 30394 1 118 . 1 1 9 9 GLY CA C 13 44.582 0.005 . . . . . . A 9 GLY CA . 30394 1 119 . 1 1 9 9 GLY N N 15 111.876 0.056 . . . . . . A 9 GLY N . 30394 1 120 . 1 1 10 10 PRO HA H 1 4.567 0.000 . . . . . . A 10 PRO HA . 30394 1 121 . 1 1 10 10 PRO HB2 H 1 2.013 0.000 . . . . . . A 10 PRO HB2 . 30394 1 122 . 1 1 10 10 PRO HB3 H 1 2.381 0.000 . . . . . . A 10 PRO HB3 . 30394 1 123 . 1 1 10 10 PRO HG2 H 1 2.065 0.000 . . . . . . A 10 PRO HG2 . 30394 1 124 . 1 1 10 10 PRO HD2 H 1 3.412 0.000 . . . . . . A 10 PRO HD2 . 30394 1 125 . 1 1 10 10 PRO HD3 H 1 3.753 0.000 . . . . . . A 10 PRO HD3 . 30394 1 126 . 1 1 10 10 PRO C C 13 176.954 0.000 . . . . . . A 10 PRO C . 30394 1 127 . 1 1 10 10 PRO CA C 13 62.444 0.000 . . . . . . A 10 PRO CA . 30394 1 128 . 1 1 10 10 PRO CB C 13 32.358 0.019 . . . . . . A 10 PRO CB . 30394 1 129 . 1 1 10 10 PRO CG C 13 27.375 0.000 . . . . . . A 10 PRO CG . 30394 1 130 . 1 1 10 10 PRO CD C 13 50.067 0.005 . . . . . . A 10 PRO CD . 30394 1 131 . 1 1 11 11 SER H H 1 8.605 0.002 . . . . . . A 11 SER H . 30394 1 132 . 1 1 11 11 SER HA H 1 4.334 0.000 . . . . . . A 11 SER HA . 30394 1 133 . 1 1 11 11 SER HB2 H 1 3.947 0.000 . . . . . . A 11 SER HB2 . 30394 1 134 . 1 1 11 11 SER C C 13 176.325 0.000 . . . . . . A 11 SER C . 30394 1 135 . 1 1 11 11 SER CA C 13 59.840 0.000 . . . . . . A 11 SER CA . 30394 1 136 . 1 1 11 11 SER CB C 13 63.238 0.000 . . . . . . A 11 SER CB . 30394 1 137 . 1 1 11 11 SER N N 15 116.960 0.017 . . . . . . A 11 SER N . 30394 1 138 . 1 1 12 12 GLY H H 1 8.966 0.002 . . . . . . A 12 GLY H . 30394 1 139 . 1 1 12 12 GLY HA2 H 1 4.132 0.000 . . . . . . A 12 GLY HA2 . 30394 1 140 . 1 1 12 12 GLY HA3 H 1 3.859 0.000 . . . . . . A 12 GLY HA3 . 30394 1 141 . 1 1 12 12 GLY C C 13 174.423 0.010 . . . . . . A 12 GLY C . 30394 1 142 . 1 1 12 12 GLY CA C 13 45.566 0.015 . . . . . . A 12 GLY CA . 30394 1 143 . 1 1 12 12 GLY N N 15 113.566 0.013 . . . . . . A 12 GLY N . 30394 1 144 . 1 1 13 13 ALA H H 1 7.807 0.002 . . . . . . A 13 ALA H . 30394 1 145 . 1 1 13 13 ALA HA H 1 4.342 0.000 . . . . . . A 13 ALA HA . 30394 1 146 . 1 1 13 13 ALA HB1 H 1 1.442 0.000 . . . . . . A 13 ALA HB1 . 30394 1 147 . 1 1 13 13 ALA HB2 H 1 1.442 0.000 . . . . . . A 13 ALA HB2 . 30394 1 148 . 1 1 13 13 ALA HB3 H 1 1.442 0.000 . . . . . . A 13 ALA HB3 . 30394 1 149 . 1 1 13 13 ALA C C 13 178.167 0.022 . . . . . . A 13 ALA C . 30394 1 150 . 1 1 13 13 ALA CA C 13 52.844 0.000 . . . . . . A 13 ALA CA . 30394 1 151 . 1 1 13 13 ALA CB C 13 19.468 0.000 . . . . . . A 13 ALA CB . 30394 1 152 . 1 1 13 13 ALA N N 15 122.903 0.013 . . . . . . A 13 ALA N . 30394 1 153 . 1 1 14 14 GLY H H 1 8.539 0.002 . . . . . . A 14 GLY H . 30394 1 154 . 1 1 14 14 GLY HA2 H 1 4.267 0.000 . . . . . . A 14 GLY HA2 . 30394 1 155 . 1 1 14 14 GLY HA3 H 1 3.997 0.000 . . . . . . A 14 GLY HA3 . 30394 1 156 . 1 1 14 14 GLY C C 13 174.435 0.007 . . . . . . A 14 GLY C . 30394 1 157 . 1 1 14 14 GLY CA C 13 44.551 0.000 . . . . . . A 14 GLY CA . 30394 1 158 . 1 1 14 14 GLY N N 15 108.689 0.014 . . . . . . A 14 GLY N . 30394 1 159 . 1 1 15 15 LYS H H 1 8.530 0.002 . . . . . . A 15 LYS H . 30394 1 160 . 1 1 15 15 LYS HA H 1 4.024 0.000 . . . . . . A 15 LYS HA . 30394 1 161 . 1 1 15 15 LYS HB2 H 1 1.906 0.000 . . . . . . A 15 LYS HB2 . 30394 1 162 . 1 1 15 15 LYS HB3 H 1 1.950 0.000 . . . . . . A 15 LYS HB3 . 30394 1 163 . 1 1 15 15 LYS HG2 H 1 1.488 0.000 . . . . . . A 15 LYS HG2 . 30394 1 164 . 1 1 15 15 LYS HD2 H 1 1.727 0.000 . . . . . . A 15 LYS HD2 . 30394 1 165 . 1 1 15 15 LYS HE2 H 1 2.991 0.000 . . . . . . A 15 LYS HE2 . 30394 1 166 . 1 1 15 15 LYS C C 13 178.136 0.021 . . . . . . A 15 LYS C . 30394 1 167 . 1 1 15 15 LYS CA C 13 59.615 0.000 . . . . . . A 15 LYS CA . 30394 1 168 . 1 1 15 15 LYS CB C 13 32.810 0.001 . . . . . . A 15 LYS CB . 30394 1 169 . 1 1 15 15 LYS CG C 13 25.231 0.000 . . . . . . A 15 LYS CG . 30394 1 170 . 1 1 15 15 LYS CD C 13 29.451 0.000 . . . . . . A 15 LYS CD . 30394 1 171 . 1 1 15 15 LYS CE C 13 42.177 0.000 . . . . . . A 15 LYS CE . 30394 1 172 . 1 1 15 15 LYS N N 15 121.620 0.016 . . . . . . A 15 LYS N . 30394 1 173 . 1 1 16 16 THR H H 1 8.331 0.002 . . . . . . A 16 THR H . 30394 1 174 . 1 1 16 16 THR HA H 1 4.209 0.000 . . . . . . A 16 THR HA . 30394 1 175 . 1 1 16 16 THR HB H 1 4.290 0.000 . . . . . . A 16 THR HB . 30394 1 176 . 1 1 16 16 THR HG21 H 1 1.339 0.000 . . . . . . A 16 THR HG21 . 30394 1 177 . 1 1 16 16 THR HG22 H 1 1.339 0.000 . . . . . . A 16 THR HG22 . 30394 1 178 . 1 1 16 16 THR HG23 H 1 1.339 0.000 . . . . . . A 16 THR HG23 . 30394 1 179 . 1 1 16 16 THR C C 13 176.948 0.014 . . . . . . A 16 THR C . 30394 1 180 . 1 1 16 16 THR CA C 13 65.320 0.000 . . . . . . A 16 THR CA . 30394 1 181 . 1 1 16 16 THR CB C 13 68.733 0.000 . . . . . . A 16 THR CB . 30394 1 182 . 1 1 16 16 THR CG2 C 13 22.166 0.000 . . . . . . A 16 THR CG2 . 30394 1 183 . 1 1 16 16 THR N N 15 111.601 0.015 . . . . . . A 16 THR N . 30394 1 184 . 1 1 17 17 THR H H 1 7.637 0.002 . . . . . . A 17 THR H . 30394 1 185 . 1 1 17 17 THR HA H 1 4.129 0.000 . . . . . . A 17 THR HA . 30394 1 186 . 1 1 17 17 THR HB H 1 4.288 0.000 . . . . . . A 17 THR HB . 30394 1 187 . 1 1 17 17 THR HG21 H 1 1.292 0.000 . . . . . . A 17 THR HG21 . 30394 1 188 . 1 1 17 17 THR HG22 H 1 1.292 0.000 . . . . . . A 17 THR HG22 . 30394 1 189 . 1 1 17 17 THR HG23 H 1 1.292 0.000 . . . . . . A 17 THR HG23 . 30394 1 190 . 1 1 17 17 THR C C 13 176.224 0.013 . . . . . . A 17 THR C . 30394 1 191 . 1 1 17 17 THR CA C 13 65.695 0.000 . . . . . . A 17 THR CA . 30394 1 192 . 1 1 17 17 THR CB C 13 68.958 0.000 . . . . . . A 17 THR CB . 30394 1 193 . 1 1 17 17 THR CG2 C 13 21.743 0.000 . . . . . . A 17 THR CG2 . 30394 1 194 . 1 1 17 17 THR N N 15 118.266 0.008 . . . . . . A 17 THR N . 30394 1 195 . 1 1 18 18 LEU H H 1 7.967 0.006 . . . . . . A 18 LEU H . 30394 1 196 . 1 1 18 18 LEU HA H 1 4.032 0.000 . . . . . . A 18 LEU HA . 30394 1 197 . 1 1 18 18 LEU HB2 H 1 1.564 0.000 . . . . . . A 18 LEU HB2 . 30394 1 198 . 1 1 18 18 LEU HB3 H 1 1.898 0.000 . . . . . . A 18 LEU HB3 . 30394 1 199 . 1 1 18 18 LEU HG H 1 1.729 0.000 . . . . . . A 18 LEU HG . 30394 1 200 . 1 1 18 18 LEU HD11 H 1 0.762 0.000 . . . . . . A 18 LEU HD11 . 30394 1 201 . 1 1 18 18 LEU HD12 H 1 0.762 0.000 . . . . . . A 18 LEU HD12 . 30394 1 202 . 1 1 18 18 LEU HD13 H 1 0.762 0.000 . . . . . . A 18 LEU HD13 . 30394 1 203 . 1 1 18 18 LEU HD21 H 1 0.833 0.000 . . . . . . A 18 LEU HD21 . 30394 1 204 . 1 1 18 18 LEU HD22 H 1 0.833 0.000 . . . . . . A 18 LEU HD22 . 30394 1 205 . 1 1 18 18 LEU HD23 H 1 0.833 0.000 . . . . . . A 18 LEU HD23 . 30394 1 206 . 1 1 18 18 LEU C C 13 178.743 0.014 . . . . . . A 18 LEU C . 30394 1 207 . 1 1 18 18 LEU CA C 13 58.111 0.000 . . . . . . A 18 LEU CA . 30394 1 208 . 1 1 18 18 LEU CB C 13 41.312 0.013 . . . . . . A 18 LEU CB . 30394 1 209 . 1 1 18 18 LEU CG C 13 26.801 0.000 . . . . . . A 18 LEU CG . 30394 1 210 . 1 1 18 18 LEU CD1 C 13 23.143 0.000 . . . . . . A 18 LEU CD1 . 30394 1 211 . 1 1 18 18 LEU CD2 C 13 25.393 0.000 . . . . . . A 18 LEU CD2 . 30394 1 212 . 1 1 18 18 LEU N N 15 121.771 0.119 . . . . . . A 18 LEU N . 30394 1 213 . 1 1 19 19 ASP H H 1 8.639 0.002 . . . . . . A 19 ASP H . 30394 1 214 . 1 1 19 19 ASP HA H 1 4.394 0.000 . . . . . . A 19 ASP HA . 30394 1 215 . 1 1 19 19 ASP HB2 H 1 2.655 0.000 . . . . . . A 19 ASP HB2 . 30394 1 216 . 1 1 19 19 ASP HB3 H 1 2.836 0.000 . . . . . . A 19 ASP HB3 . 30394 1 217 . 1 1 19 19 ASP C C 13 179.319 0.019 . . . . . . A 19 ASP C . 30394 1 218 . 1 1 19 19 ASP CA C 13 57.438 0.000 . . . . . . A 19 ASP CA . 30394 1 219 . 1 1 19 19 ASP CB C 13 40.329 0.000 . . . . . . A 19 ASP CB . 30394 1 220 . 1 1 19 19 ASP N N 15 119.473 0.017 . . . . . . A 19 ASP N . 30394 1 221 . 1 1 20 20 GLU H H 1 7.872 0.002 . . . . . . A 20 GLU H . 30394 1 222 . 1 1 20 20 GLU HA H 1 4.252 0.000 . . . . . . A 20 GLU HA . 30394 1 223 . 1 1 20 20 GLU HB2 H 1 2.130 0.000 . . . . . . A 20 GLU HB2 . 30394 1 224 . 1 1 20 20 GLU HB3 H 1 2.250 0.000 . . . . . . A 20 GLU HB3 . 30394 1 225 . 1 1 20 20 GLU HG2 H 1 2.375 0.000 . . . . . . A 20 GLU HG2 . 30394 1 226 . 1 1 20 20 GLU C C 13 178.965 0.039 . . . . . . A 20 GLU C . 30394 1 227 . 1 1 20 20 GLU CA C 13 59.187 0.000 . . . . . . A 20 GLU CA . 30394 1 228 . 1 1 20 20 GLU CB C 13 29.574 0.006 . . . . . . A 20 GLU CB . 30394 1 229 . 1 1 20 20 GLU CG C 13 36.025 0.000 . . . . . . A 20 GLU CG . 30394 1 230 . 1 1 20 20 GLU N N 15 121.128 0.009 . . . . . . A 20 GLU N . 30394 1 231 . 1 1 21 21 LEU H H 1 7.991 0.002 . . . . . . A 21 LEU H . 30394 1 232 . 1 1 21 21 LEU HA H 1 4.103 0.000 . . . . . . A 21 LEU HA . 30394 1 233 . 1 1 21 21 LEU HB2 H 1 1.456 0.000 . . . . . . A 21 LEU HB2 . 30394 1 234 . 1 1 21 21 LEU HB3 H 1 2.007 0.000 . . . . . . A 21 LEU HB3 . 30394 1 235 . 1 1 21 21 LEU HG H 1 1.917 0.000 . . . . . . A 21 LEU HG . 30394 1 236 . 1 1 21 21 LEU HD11 H 1 0.885 0.000 . . . . . . A 21 LEU HD11 . 30394 1 237 . 1 1 21 21 LEU HD12 H 1 0.885 0.000 . . . . . . A 21 LEU HD12 . 30394 1 238 . 1 1 21 21 LEU HD13 H 1 0.885 0.000 . . . . . . A 21 LEU HD13 . 30394 1 239 . 1 1 21 21 LEU HD21 H 1 0.903 0.000 . . . . . . A 21 LEU HD21 . 30394 1 240 . 1 1 21 21 LEU HD22 H 1 0.903 0.000 . . . . . . A 21 LEU HD22 . 30394 1 241 . 1 1 21 21 LEU HD23 H 1 0.903 0.000 . . . . . . A 21 LEU HD23 . 30394 1 242 . 1 1 21 21 LEU C C 13 179.702 0.029 . . . . . . A 21 LEU C . 30394 1 243 . 1 1 21 21 LEU CA C 13 57.986 0.000 . . . . . . A 21 LEU CA . 30394 1 244 . 1 1 21 21 LEU CB C 13 42.227 0.005 . . . . . . A 21 LEU CB . 30394 1 245 . 1 1 21 21 LEU CG C 13 26.973 0.000 . . . . . . A 21 LEU CG . 30394 1 246 . 1 1 21 21 LEU CD1 C 13 25.231 0.000 . . . . . . A 21 LEU CD1 . 30394 1 247 . 1 1 21 21 LEU CD2 C 13 23.073 0.000 . . . . . . A 21 LEU CD2 . 30394 1 248 . 1 1 21 21 LEU N N 15 120.429 0.020 . . . . . . A 21 LEU N . 30394 1 249 . 1 1 22 22 ALA H H 1 8.317 0.002 . . . . . . A 22 ALA H . 30394 1 250 . 1 1 22 22 ALA HA H 1 3.909 0.000 . . . . . . A 22 ALA HA . 30394 1 251 . 1 1 22 22 ALA HB1 H 1 1.431 0.000 . . . . . . A 22 ALA HB1 . 30394 1 252 . 1 1 22 22 ALA HB2 H 1 1.431 0.000 . . . . . . A 22 ALA HB2 . 30394 1 253 . 1 1 22 22 ALA HB3 H 1 1.431 0.000 . . . . . . A 22 ALA HB3 . 30394 1 254 . 1 1 22 22 ALA C C 13 179.551 0.066 . . . . . . A 22 ALA C . 30394 1 255 . 1 1 22 22 ALA CA C 13 55.377 0.000 . . . . . . A 22 ALA CA . 30394 1 256 . 1 1 22 22 ALA CB C 13 18.184 0.000 . . . . . . A 22 ALA CB . 30394 1 257 . 1 1 22 22 ALA N N 15 121.329 0.016 . . . . . . A 22 ALA N . 30394 1 258 . 1 1 23 23 ARG H H 1 8.116 0.001 . . . . . . A 23 ARG H . 30394 1 259 . 1 1 23 23 ARG HA H 1 3.976 0.000 . . . . . . A 23 ARG HA . 30394 1 260 . 1 1 23 23 ARG HB2 H 1 1.997 0.000 . . . . . . A 23 ARG HB2 . 30394 1 261 . 1 1 23 23 ARG HG2 H 1 1.577 0.000 . . . . . . A 23 ARG HG2 . 30394 1 262 . 1 1 23 23 ARG HG3 H 1 1.792 0.000 . . . . . . A 23 ARG HG3 . 30394 1 263 . 1 1 23 23 ARG HD2 H 1 3.187 0.000 . . . . . . A 23 ARG HD2 . 30394 1 264 . 1 1 23 23 ARG HD3 H 1 3.290 0.000 . . . . . . A 23 ARG HD3 . 30394 1 265 . 1 1 23 23 ARG HE H 1 7.763 0.000 . . . . . . A 23 ARG HE . 30394 1 266 . 1 1 23 23 ARG C C 13 179.418 0.016 . . . . . . A 23 ARG C . 30394 1 267 . 1 1 23 23 ARG CA C 13 59.685 0.000 . . . . . . A 23 ARG CA . 30394 1 268 . 1 1 23 23 ARG CB C 13 30.084 0.000 . . . . . . A 23 ARG CB . 30394 1 269 . 1 1 23 23 ARG CG C 13 27.583 0.000 . . . . . . A 23 ARG CG . 30394 1 270 . 1 1 23 23 ARG CD C 13 43.339 0.017 . . . . . . A 23 ARG CD . 30394 1 271 . 1 1 23 23 ARG N N 15 119.859 0.007 . . . . . . A 23 ARG N . 30394 1 272 . 1 1 23 23 ARG NE N 15 83.816 0.000 . . . . . . A 23 ARG NE . 30394 1 273 . 1 1 24 24 LYS H H 1 8.111 0.001 . . . . . . A 24 LYS H . 30394 1 274 . 1 1 24 24 LYS HA H 1 4.044 0.000 . . . . . . A 24 LYS HA . 30394 1 275 . 1 1 24 24 LYS HB2 H 1 1.930 0.000 . . . . . . A 24 LYS HB2 . 30394 1 276 . 1 1 24 24 LYS HG2 H 1 1.467 0.000 . . . . . . A 24 LYS HG2 . 30394 1 277 . 1 1 24 24 LYS HG3 H 1 1.586 0.000 . . . . . . A 24 LYS HG3 . 30394 1 278 . 1 1 24 24 LYS HD2 H 1 1.728 0.000 . . . . . . A 24 LYS HD2 . 30394 1 279 . 1 1 24 24 LYS HE2 H 1 2.993 0.000 . . . . . . A 24 LYS HE2 . 30394 1 280 . 1 1 24 24 LYS C C 13 179.102 0.072 . . . . . . A 24 LYS C . 30394 1 281 . 1 1 24 24 LYS CA C 13 59.241 0.000 . . . . . . A 24 LYS CA . 30394 1 282 . 1 1 24 24 LYS CB C 13 32.277 0.000 . . . . . . A 24 LYS CB . 30394 1 283 . 1 1 24 24 LYS CG C 13 25.165 0.006 . . . . . . A 24 LYS CG . 30394 1 284 . 1 1 24 24 LYS CD C 13 29.333 0.000 . . . . . . A 24 LYS CD . 30394 1 285 . 1 1 24 24 LYS CE C 13 42.071 0.000 . . . . . . A 24 LYS CE . 30394 1 286 . 1 1 24 24 LYS N N 15 119.585 0.000 . . . . . . A 24 LYS N . 30394 1 287 . 1 1 25 25 ALA H H 1 8.099 0.002 . . . . . . A 25 ALA H . 30394 1 288 . 1 1 25 25 ALA HA H 1 3.958 0.000 . . . . . . A 25 ALA HA . 30394 1 289 . 1 1 25 25 ALA HB1 H 1 1.382 0.000 . . . . . . A 25 ALA HB1 . 30394 1 290 . 1 1 25 25 ALA HB2 H 1 1.382 0.000 . . . . . . A 25 ALA HB2 . 30394 1 291 . 1 1 25 25 ALA HB3 H 1 1.382 0.000 . . . . . . A 25 ALA HB3 . 30394 1 292 . 1 1 25 25 ALA C C 13 178.330 0.018 . . . . . . A 25 ALA C . 30394 1 293 . 1 1 25 25 ALA CA C 13 55.496 0.000 . . . . . . A 25 ALA CA . 30394 1 294 . 1 1 25 25 ALA CB C 13 18.510 0.000 . . . . . . A 25 ALA CB . 30394 1 295 . 1 1 25 25 ALA N N 15 120.693 0.046 . . . . . . A 25 ALA N . 30394 1 296 . 1 1 26 26 LYS H H 1 7.727 0.002 . . . . . . A 26 LYS H . 30394 1 297 . 1 1 26 26 LYS HA H 1 3.950 0.000 . . . . . . A 26 LYS HA . 30394 1 298 . 1 1 26 26 LYS HB2 H 1 1.831 0.000 . . . . . . A 26 LYS HB2 . 30394 1 299 . 1 1 26 26 LYS HB3 H 1 2.063 0.000 . . . . . . A 26 LYS HB3 . 30394 1 300 . 1 1 26 26 LYS HG2 H 1 1.549 0.000 . . . . . . A 26 LYS HG2 . 30394 1 301 . 1 1 26 26 LYS HD2 H 1 1.926 0.000 . . . . . . A 26 LYS HD2 . 30394 1 302 . 1 1 26 26 LYS HE2 H 1 3.089 0.000 . . . . . . A 26 LYS HE2 . 30394 1 303 . 1 1 26 26 LYS C C 13 178.089 0.013 . . . . . . A 26 LYS C . 30394 1 304 . 1 1 26 26 LYS CA C 13 57.473 0.000 . . . . . . A 26 LYS CA . 30394 1 305 . 1 1 26 26 LYS CB C 13 32.551 0.006 . . . . . . A 26 LYS CB . 30394 1 306 . 1 1 26 26 LYS CG C 13 24.777 0.000 . . . . . . A 26 LYS CG . 30394 1 307 . 1 1 26 26 LYS CD C 13 29.289 0.000 . . . . . . A 26 LYS CD . 30394 1 308 . 1 1 26 26 LYS CE C 13 42.385 0.000 . . . . . . A 26 LYS CE . 30394 1 309 . 1 1 26 26 LYS N N 15 117.263 0.024 . . . . . . A 26 LYS N . 30394 1 310 . 1 1 27 27 GLU H H 1 7.586 0.002 . . . . . . A 27 GLU H . 30394 1 311 . 1 1 27 27 GLU HA H 1 3.998 0.000 . . . . . . A 27 GLU HA . 30394 1 312 . 1 1 27 27 GLU HB2 H 1 2.140 0.000 . . . . . . A 27 GLU HB2 . 30394 1 313 . 1 1 27 27 GLU HB3 H 1 2.230 0.000 . . . . . . A 27 GLU HB3 . 30394 1 314 . 1 1 27 27 GLU HG2 H 1 2.478 0.000 . . . . . . A 27 GLU HG2 . 30394 1 315 . 1 1 27 27 GLU HG3 H 1 2.272 0.000 . . . . . . A 27 GLU HG3 . 30394 1 316 . 1 1 27 27 GLU C C 13 178.796 0.004 . . . . . . A 27 GLU C . 30394 1 317 . 1 1 27 27 GLU CA C 13 58.873 0.000 . . . . . . A 27 GLU CA . 30394 1 318 . 1 1 27 27 GLU CB C 13 29.757 0.005 . . . . . . A 27 GLU CB . 30394 1 319 . 1 1 27 27 GLU CG C 13 36.596 0.004 . . . . . . A 27 GLU CG . 30394 1 320 . 1 1 27 27 GLU N N 15 116.621 0.018 . . . . . . A 27 GLU N . 30394 1 321 . 1 1 28 28 GLU H H 1 7.695 0.003 . . . . . . A 28 GLU H . 30394 1 322 . 1 1 28 28 GLU HA H 1 4.240 0.000 . . . . . . A 28 GLU HA . 30394 1 323 . 1 1 28 28 GLU HB2 H 1 2.129 0.000 . . . . . . A 28 GLU HB2 . 30394 1 324 . 1 1 28 28 GLU HG2 H 1 2.457 0.000 . . . . . . A 28 GLU HG2 . 30394 1 325 . 1 1 28 28 GLU C C 13 177.329 0.021 . . . . . . A 28 GLU C . 30394 1 326 . 1 1 28 28 GLU CA C 13 58.012 0.000 . . . . . . A 28 GLU CA . 30394 1 327 . 1 1 28 28 GLU CB C 13 30.611 0.000 . . . . . . A 28 GLU CB . 30394 1 328 . 1 1 28 28 GLU CG C 13 35.942 0.000 . . . . . . A 28 GLU CG . 30394 1 329 . 1 1 28 28 GLU N N 15 116.072 0.013 . . . . . . A 28 GLU N . 30394 1 330 . 1 1 29 29 VAL H H 1 8.114 0.001 . . . . . . A 29 VAL H . 30394 1 331 . 1 1 29 29 VAL HA H 1 4.428 0.000 . . . . . . A 29 VAL HA . 30394 1 332 . 1 1 29 29 VAL HB H 1 2.266 0.000 . . . . . . A 29 VAL HB . 30394 1 333 . 1 1 29 29 VAL HG11 H 1 0.850 0.000 . . . . . . A 29 VAL HG11 . 30394 1 334 . 1 1 29 29 VAL HG12 H 1 0.850 0.000 . . . . . . A 29 VAL HG12 . 30394 1 335 . 1 1 29 29 VAL HG13 H 1 0.850 0.000 . . . . . . A 29 VAL HG13 . 30394 1 336 . 1 1 29 29 VAL HG21 H 1 0.865 0.000 . . . . . . A 29 VAL HG21 . 30394 1 337 . 1 1 29 29 VAL HG22 H 1 0.865 0.000 . . . . . . A 29 VAL HG22 . 30394 1 338 . 1 1 29 29 VAL HG23 H 1 0.865 0.000 . . . . . . A 29 VAL HG23 . 30394 1 339 . 1 1 29 29 VAL C C 13 172.518 0.000 . . . . . . A 29 VAL C . 30394 1 340 . 1 1 29 29 VAL CA C 13 58.848 0.000 . . . . . . A 29 VAL CA . 30394 1 341 . 1 1 29 29 VAL CB C 13 31.195 0.000 . . . . . . A 29 VAL CB . 30394 1 342 . 1 1 29 29 VAL CG1 C 13 20.564 0.000 . . . . . . A 29 VAL CG1 . 30394 1 343 . 1 1 29 29 VAL CG2 C 13 24.589 0.000 . . . . . . A 29 VAL CG2 . 30394 1 344 . 1 1 29 29 VAL N N 15 117.632 0.060 . . . . . . A 29 VAL N . 30394 1 345 . 1 1 30 30 PRO HA H 1 4.728 0.000 . . . . . . A 30 PRO HA . 30394 1 346 . 1 1 30 30 PRO HB2 H 1 1.953 0.000 . . . . . . A 30 PRO HB2 . 30394 1 347 . 1 1 30 30 PRO HB3 H 1 2.419 0.000 . . . . . . A 30 PRO HB3 . 30394 1 348 . 1 1 30 30 PRO HG2 H 1 1.967 0.000 . . . . . . A 30 PRO HG2 . 30394 1 349 . 1 1 30 30 PRO HG3 H 1 2.025 0.000 . . . . . . A 30 PRO HG3 . 30394 1 350 . 1 1 30 30 PRO HD2 H 1 3.397 0.000 . . . . . . A 30 PRO HD2 . 30394 1 351 . 1 1 30 30 PRO HD3 H 1 3.621 0.000 . . . . . . A 30 PRO HD3 . 30394 1 352 . 1 1 30 30 PRO C C 13 177.774 0.000 . . . . . . A 30 PRO C . 30394 1 353 . 1 1 30 30 PRO CA C 13 65.107 0.000 . . . . . . A 30 PRO CA . 30394 1 354 . 1 1 30 30 PRO CB C 13 32.302 0.000 . . . . . . A 30 PRO CB . 30394 1 355 . 1 1 30 30 PRO CG C 13 27.354 0.003 . . . . . . A 30 PRO CG . 30394 1 356 . 1 1 30 30 PRO CD C 13 50.164 0.000 . . . . . . A 30 PRO CD . 30394 1 357 . 1 1 31 31 ASP H H 1 8.700 0.002 . . . . . . A 31 ASP H . 30394 1 358 . 1 1 31 31 ASP HA H 1 4.659 0.000 . . . . . . A 31 ASP HA . 30394 1 359 . 1 1 31 31 ASP HB2 H 1 2.666 0.000 . . . . . . A 31 ASP HB2 . 30394 1 360 . 1 1 31 31 ASP HB3 H 1 2.815 0.000 . . . . . . A 31 ASP HB3 . 30394 1 361 . 1 1 31 31 ASP C C 13 176.227 0.008 . . . . . . A 31 ASP C . 30394 1 362 . 1 1 31 31 ASP CA C 13 53.033 0.000 . . . . . . A 31 ASP CA . 30394 1 363 . 1 1 31 31 ASP CB C 13 39.770 0.003 . . . . . . A 31 ASP CB . 30394 1 364 . 1 1 31 31 ASP N N 15 114.188 0.015 . . . . . . A 31 ASP N . 30394 1 365 . 1 1 32 32 ALA H H 1 7.844 0.002 . . . . . . A 32 ALA H . 30394 1 366 . 1 1 32 32 ALA HA H 1 4.608 0.000 . . . . . . A 32 ALA HA . 30394 1 367 . 1 1 32 32 ALA HB1 H 1 1.243 0.000 . . . . . . A 32 ALA HB1 . 30394 1 368 . 1 1 32 32 ALA HB2 H 1 1.243 0.000 . . . . . . A 32 ALA HB2 . 30394 1 369 . 1 1 32 32 ALA HB3 H 1 1.243 0.000 . . . . . . A 32 ALA HB3 . 30394 1 370 . 1 1 32 32 ALA C C 13 177.321 0.013 . . . . . . A 32 ALA C . 30394 1 371 . 1 1 32 32 ALA CA C 13 51.696 0.000 . . . . . . A 32 ALA CA . 30394 1 372 . 1 1 32 32 ALA CB C 13 21.095 0.000 . . . . . . A 32 ALA CB . 30394 1 373 . 1 1 32 32 ALA N N 15 122.635 0.015 . . . . . . A 32 ALA N . 30394 1 374 . 1 1 33 33 GLU H H 1 7.816 0.002 . . . . . . A 33 GLU H . 30394 1 375 . 1 1 33 33 GLU HA H 1 4.538 0.000 . . . . . . A 33 GLU HA . 30394 1 376 . 1 1 33 33 GLU HB2 H 1 1.875 0.000 . . . . . . A 33 GLU HB2 . 30394 1 377 . 1 1 33 33 GLU HB3 H 1 1.963 0.000 . . . . . . A 33 GLU HB3 . 30394 1 378 . 1 1 33 33 GLU HG2 H 1 2.265 0.000 . . . . . . A 33 GLU HG2 . 30394 1 379 . 1 1 33 33 GLU C C 13 174.952 0.019 . . . . . . A 33 GLU C . 30394 1 380 . 1 1 33 33 GLU CA C 13 55.454 0.000 . . . . . . A 33 GLU CA . 30394 1 381 . 1 1 33 33 GLU CB C 13 30.706 0.010 . . . . . . A 33 GLU CB . 30394 1 382 . 1 1 33 33 GLU CG C 13 36.189 0.000 . . . . . . A 33 GLU CG . 30394 1 383 . 1 1 33 33 GLU N N 15 119.079 0.023 . . . . . . A 33 GLU N . 30394 1 384 . 1 1 34 34 ILE H H 1 8.793 0.002 . . . . . . A 34 ILE H . 30394 1 385 . 1 1 34 34 ILE HA H 1 4.998 0.000 . . . . . . A 34 ILE HA . 30394 1 386 . 1 1 34 34 ILE HB H 1 2.004 0.000 . . . . . . A 34 ILE HB . 30394 1 387 . 1 1 34 34 ILE HG12 H 1 1.349 0.000 . . . . . . A 34 ILE HG12 . 30394 1 388 . 1 1 34 34 ILE HG13 H 1 1.559 0.000 . . . . . . A 34 ILE HG13 . 30394 1 389 . 1 1 34 34 ILE HG21 H 1 0.913 0.000 . . . . . . A 34 ILE HG21 . 30394 1 390 . 1 1 34 34 ILE HG22 H 1 0.913 0.000 . . . . . . A 34 ILE HG22 . 30394 1 391 . 1 1 34 34 ILE HG23 H 1 0.913 0.000 . . . . . . A 34 ILE HG23 . 30394 1 392 . 1 1 34 34 ILE HD11 H 1 0.638 0.000 . . . . . . A 34 ILE HD11 . 30394 1 393 . 1 1 34 34 ILE HD12 H 1 0.638 0.000 . . . . . . A 34 ILE HD12 . 30394 1 394 . 1 1 34 34 ILE HD13 H 1 0.638 0.000 . . . . . . A 34 ILE HD13 . 30394 1 395 . 1 1 34 34 ILE C C 13 177.057 0.003 . . . . . . A 34 ILE C . 30394 1 396 . 1 1 34 34 ILE CA C 13 59.066 0.000 . . . . . . A 34 ILE CA . 30394 1 397 . 1 1 34 34 ILE CB C 13 37.319 0.000 . . . . . . A 34 ILE CB . 30394 1 398 . 1 1 34 34 ILE CG1 C 13 28.686 0.004 . . . . . . A 34 ILE CG1 . 30394 1 399 . 1 1 34 34 ILE CG2 C 13 18.419 0.000 . . . . . . A 34 ILE CG2 . 30394 1 400 . 1 1 34 34 ILE CD1 C 13 11.188 0.000 . . . . . . A 34 ILE CD1 . 30394 1 401 . 1 1 34 34 ILE N N 15 124.649 0.013 . . . . . . A 34 ILE N . 30394 1 402 . 1 1 35 35 ARG H H 1 9.373 0.000 . . . . . . A 35 ARG H . 30394 1 403 . 1 1 35 35 ARG HA H 1 5.018 0.000 . . . . . . A 35 ARG HA . 30394 1 404 . 1 1 35 35 ARG HB2 H 1 1.800 0.000 . . . . . . A 35 ARG HB2 . 30394 1 405 . 1 1 35 35 ARG HB3 H 1 1.559 0.000 . . . . . . A 35 ARG HB3 . 30394 1 406 . 1 1 35 35 ARG HG2 H 1 1.329 0.000 . . . . . . A 35 ARG HG2 . 30394 1 407 . 1 1 35 35 ARG HG3 H 1 1.519 0.000 . . . . . . A 35 ARG HG3 . 30394 1 408 . 1 1 35 35 ARG HD2 H 1 3.084 0.000 . . . . . . A 35 ARG HD2 . 30394 1 409 . 1 1 35 35 ARG HD3 H 1 3.516 0.000 . . . . . . A 35 ARG HD3 . 30394 1 410 . 1 1 35 35 ARG HE H 1 9.018 0.000 . . . . . . A 35 ARG HE . 30394 1 411 . 1 1 35 35 ARG C C 13 174.837 0.000 . . . . . . A 35 ARG C . 30394 1 412 . 1 1 35 35 ARG CA C 13 52.526 0.000 . . . . . . A 35 ARG CA . 30394 1 413 . 1 1 35 35 ARG CB C 13 33.798 0.014 . . . . . . A 35 ARG CB . 30394 1 414 . 1 1 35 35 ARG CG C 13 27.266 0.019 . . . . . . A 35 ARG CG . 30394 1 415 . 1 1 35 35 ARG CD C 13 42.141 0.016 . . . . . . A 35 ARG CD . 30394 1 416 . 1 1 35 35 ARG N N 15 128.150 0.000 . . . . . . A 35 ARG N . 30394 1 417 . 1 1 35 35 ARG NE N 15 86.302 0.000 . . . . . . A 35 ARG NE . 30394 1 418 . 1 1 36 36 THR H H 1 8.547 0.002 . . . . . . A 36 THR H . 30394 1 419 . 1 1 36 36 THR HA H 1 5.121 0.000 . . . . . . A 36 THR HA . 30394 1 420 . 1 1 36 36 THR HB H 1 4.052 0.000 . . . . . . A 36 THR HB . 30394 1 421 . 1 1 36 36 THR HG21 H 1 1.137 0.000 . . . . . . A 36 THR HG21 . 30394 1 422 . 1 1 36 36 THR HG22 H 1 1.137 0.000 . . . . . . A 36 THR HG22 . 30394 1 423 . 1 1 36 36 THR HG23 H 1 1.137 0.000 . . . . . . A 36 THR HG23 . 30394 1 424 . 1 1 36 36 THR C C 13 174.224 0.072 . . . . . . A 36 THR C . 30394 1 425 . 1 1 36 36 THR CA C 13 60.795 0.000 . . . . . . A 36 THR CA . 30394 1 426 . 1 1 36 36 THR CB C 13 70.291 0.000 . . . . . . A 36 THR CB . 30394 1 427 . 1 1 36 36 THR CG2 C 13 21.995 0.000 . . . . . . A 36 THR CG2 . 30394 1 428 . 1 1 36 36 THR N N 15 114.739 0.014 . . . . . . A 36 THR N . 30394 1 429 . 1 1 37 37 VAL H H 1 8.869 0.002 . . . . . . A 37 VAL H . 30394 1 430 . 1 1 37 37 VAL HA H 1 4.574 0.000 . . . . . . A 37 VAL HA . 30394 1 431 . 1 1 37 37 VAL HB H 1 1.886 0.000 . . . . . . A 37 VAL HB . 30394 1 432 . 1 1 37 37 VAL HG11 H 1 0.910 0.000 . . . . . . A 37 VAL HG11 . 30394 1 433 . 1 1 37 37 VAL HG12 H 1 0.910 0.000 . . . . . . A 37 VAL HG12 . 30394 1 434 . 1 1 37 37 VAL HG13 H 1 0.910 0.000 . . . . . . A 37 VAL HG13 . 30394 1 435 . 1 1 37 37 VAL HG21 H 1 0.747 0.000 . . . . . . A 37 VAL HG21 . 30394 1 436 . 1 1 37 37 VAL HG22 H 1 0.747 0.000 . . . . . . A 37 VAL HG22 . 30394 1 437 . 1 1 37 37 VAL HG23 H 1 0.747 0.000 . . . . . . A 37 VAL HG23 . 30394 1 438 . 1 1 37 37 VAL C C 13 174.302 0.009 . . . . . . A 37 VAL C . 30394 1 439 . 1 1 37 37 VAL CA C 13 60.616 0.000 . . . . . . A 37 VAL CA . 30394 1 440 . 1 1 37 37 VAL CB C 13 35.886 0.000 . . . . . . A 37 VAL CB . 30394 1 441 . 1 1 37 37 VAL CG1 C 13 22.566 0.000 . . . . . . A 37 VAL CG1 . 30394 1 442 . 1 1 37 37 VAL CG2 C 13 22.374 0.000 . . . . . . A 37 VAL CG2 . 30394 1 443 . 1 1 37 37 VAL N N 15 121.704 0.022 . . . . . . A 37 VAL N . 30394 1 444 . 1 1 38 38 THR H H 1 9.732 0.002 . . . . . . A 38 THR H . 30394 1 445 . 1 1 38 38 THR HA H 1 4.750 0.000 . . . . . . A 38 THR HA . 30394 1 446 . 1 1 38 38 THR HB H 1 4.373 0.000 . . . . . . A 38 THR HB . 30394 1 447 . 1 1 38 38 THR HG21 H 1 1.176 0.000 . . . . . . A 38 THR HG21 . 30394 1 448 . 1 1 38 38 THR HG22 H 1 1.176 0.000 . . . . . . A 38 THR HG22 . 30394 1 449 . 1 1 38 38 THR HG23 H 1 1.176 0.000 . . . . . . A 38 THR HG23 . 30394 1 450 . 1 1 38 38 THR C C 13 174.345 0.006 . . . . . . A 38 THR C . 30394 1 451 . 1 1 38 38 THR CA C 13 62.059 0.000 . . . . . . A 38 THR CA . 30394 1 452 . 1 1 38 38 THR CB C 13 70.939 0.000 . . . . . . A 38 THR CB . 30394 1 453 . 1 1 38 38 THR CG2 C 13 22.231 0.000 . . . . . . A 38 THR CG2 . 30394 1 454 . 1 1 38 38 THR N N 15 115.819 0.016 . . . . . . A 38 THR N . 30394 1 455 . 1 1 39 39 THR H H 1 7.708 0.002 . . . . . . A 39 THR H . 30394 1 456 . 1 1 39 39 THR HA H 1 4.862 0.000 . . . . . . A 39 THR HA . 30394 1 457 . 1 1 39 39 THR HB H 1 4.750 0.000 . . . . . . A 39 THR HB . 30394 1 458 . 1 1 39 39 THR HG21 H 1 1.330 0.000 . . . . . . A 39 THR HG21 . 30394 1 459 . 1 1 39 39 THR HG22 H 1 1.330 0.000 . . . . . . A 39 THR HG22 . 30394 1 460 . 1 1 39 39 THR HG23 H 1 1.330 0.000 . . . . . . A 39 THR HG23 . 30394 1 461 . 1 1 39 39 THR C C 13 175.240 0.010 . . . . . . A 39 THR C . 30394 1 462 . 1 1 39 39 THR CA C 13 59.280 0.000 . . . . . . A 39 THR CA . 30394 1 463 . 1 1 39 39 THR CB C 13 74.276 0.000 . . . . . . A 39 THR CB . 30394 1 464 . 1 1 39 39 THR CG2 C 13 21.774 0.000 . . . . . . A 39 THR CG2 . 30394 1 465 . 1 1 39 39 THR N N 15 110.727 0.010 . . . . . . A 39 THR N . 30394 1 466 . 1 1 40 40 LYS H H 1 9.216 0.002 . . . . . . A 40 LYS H . 30394 1 467 . 1 1 40 40 LYS HA H 1 3.823 0.000 . . . . . . A 40 LYS HA . 30394 1 468 . 1 1 40 40 LYS HB2 H 1 1.804 0.000 . . . . . . A 40 LYS HB2 . 30394 1 469 . 1 1 40 40 LYS HB3 H 1 1.880 0.000 . . . . . . A 40 LYS HB3 . 30394 1 470 . 1 1 40 40 LYS HG2 H 1 1.366 0.000 . . . . . . A 40 LYS HG2 . 30394 1 471 . 1 1 40 40 LYS HG3 H 1 1.486 0.000 . . . . . . A 40 LYS HG3 . 30394 1 472 . 1 1 40 40 LYS HD2 H 1 1.752 0.000 . . . . . . A 40 LYS HD2 . 30394 1 473 . 1 1 40 40 LYS HE2 H 1 2.997 0.000 . . . . . . A 40 LYS HE2 . 30394 1 474 . 1 1 40 40 LYS C C 13 178.353 0.017 . . . . . . A 40 LYS C . 30394 1 475 . 1 1 40 40 LYS CA C 13 60.160 0.000 . . . . . . A 40 LYS CA . 30394 1 476 . 1 1 40 40 LYS CB C 13 32.011 0.002 . . . . . . A 40 LYS CB . 30394 1 477 . 1 1 40 40 LYS CG C 13 25.561 0.009 . . . . . . A 40 LYS CG . 30394 1 478 . 1 1 40 40 LYS CD C 13 29.669 0.000 . . . . . . A 40 LYS CD . 30394 1 479 . 1 1 40 40 LYS CE C 13 41.987 0.000 . . . . . . A 40 LYS CE . 30394 1 480 . 1 1 40 40 LYS N N 15 121.234 0.020 . . . . . . A 40 LYS N . 30394 1 481 . 1 1 41 41 GLU H H 1 8.535 0.002 . . . . . . A 41 GLU H . 30394 1 482 . 1 1 41 41 GLU HA H 1 4.016 0.000 . . . . . . A 41 GLU HA . 30394 1 483 . 1 1 41 41 GLU HB2 H 1 2.164 0.000 . . . . . . A 41 GLU HB2 . 30394 1 484 . 1 1 41 41 GLU HB3 H 1 1.989 0.000 . . . . . . A 41 GLU HB3 . 30394 1 485 . 1 1 41 41 GLU HG2 H 1 2.313 0.000 . . . . . . A 41 GLU HG2 . 30394 1 486 . 1 1 41 41 GLU HG3 H 1 2.519 0.000 . . . . . . A 41 GLU HG3 . 30394 1 487 . 1 1 41 41 GLU C C 13 179.515 0.032 . . . . . . A 41 GLU C . 30394 1 488 . 1 1 41 41 GLU CA C 13 60.666 0.000 . . . . . . A 41 GLU CA . 30394 1 489 . 1 1 41 41 GLU CB C 13 28.704 0.007 . . . . . . A 41 GLU CB . 30394 1 490 . 1 1 41 41 GLU CG C 13 37.230 0.007 . . . . . . A 41 GLU CG . 30394 1 491 . 1 1 41 41 GLU N N 15 120.332 0.019 . . . . . . A 41 GLU N . 30394 1 492 . 1 1 42 42 ASP H H 1 8.120 0.002 . . . . . . A 42 ASP H . 30394 1 493 . 1 1 42 42 ASP HA H 1 4.458 0.000 . . . . . . A 42 ASP HA . 30394 1 494 . 1 1 42 42 ASP HB2 H 1 2.968 0.000 . . . . . . A 42 ASP HB2 . 30394 1 495 . 1 1 42 42 ASP HB3 H 1 3.196 0.000 . . . . . . A 42 ASP HB3 . 30394 1 496 . 1 1 42 42 ASP C C 13 178.182 0.016 . . . . . . A 42 ASP C . 30394 1 497 . 1 1 42 42 ASP CA C 13 57.177 0.000 . . . . . . A 42 ASP CA . 30394 1 498 . 1 1 42 42 ASP CB C 13 41.823 0.003 . . . . . . A 42 ASP CB . 30394 1 499 . 1 1 42 42 ASP N N 15 120.191 0.125 . . . . . . A 42 ASP N . 30394 1 500 . 1 1 43 43 ALA H H 1 7.859 0.002 . . . . . . A 43 ALA H . 30394 1 501 . 1 1 43 43 ALA HA H 1 3.837 0.000 . . . . . . A 43 ALA HA . 30394 1 502 . 1 1 43 43 ALA HB1 H 1 1.544 0.000 . . . . . . A 43 ALA HB1 . 30394 1 503 . 1 1 43 43 ALA HB2 H 1 1.544 0.000 . . . . . . A 43 ALA HB2 . 30394 1 504 . 1 1 43 43 ALA HB3 H 1 1.544 0.000 . . . . . . A 43 ALA HB3 . 30394 1 505 . 1 1 43 43 ALA C C 13 178.047 0.007 . . . . . . A 43 ALA C . 30394 1 506 . 1 1 43 43 ALA CA C 13 55.506 0.000 . . . . . . A 43 ALA CA . 30394 1 507 . 1 1 43 43 ALA CB C 13 18.955 0.000 . . . . . . A 43 ALA CB . 30394 1 508 . 1 1 43 43 ALA N N 15 121.269 0.010 . . . . . . A 43 ALA N . 30394 1 509 . 1 1 44 44 LYS H H 1 7.875 0.002 . . . . . . A 44 LYS H . 30394 1 510 . 1 1 44 44 LYS HA H 1 3.840 0.000 . . . . . . A 44 LYS HA . 30394 1 511 . 1 1 44 44 LYS HB2 H 1 1.970 0.000 . . . . . . A 44 LYS HB2 . 30394 1 512 . 1 1 44 44 LYS HG2 H 1 1.585 0.000 . . . . . . A 44 LYS HG2 . 30394 1 513 . 1 1 44 44 LYS HG3 H 1 1.427 0.000 . . . . . . A 44 LYS HG3 . 30394 1 514 . 1 1 44 44 LYS HD2 H 1 1.729 0.000 . . . . . . A 44 LYS HD2 . 30394 1 515 . 1 1 44 44 LYS HE2 H 1 2.991 0.000 . . . . . . A 44 LYS HE2 . 30394 1 516 . 1 1 44 44 LYS C C 13 178.263 0.059 . . . . . . A 44 LYS C . 30394 1 517 . 1 1 44 44 LYS CA C 13 59.875 0.000 . . . . . . A 44 LYS CA . 30394 1 518 . 1 1 44 44 LYS CB C 13 32.521 0.000 . . . . . . A 44 LYS CB . 30394 1 519 . 1 1 44 44 LYS CG C 13 25.382 0.005 . . . . . . A 44 LYS CG . 30394 1 520 . 1 1 44 44 LYS CD C 13 29.539 0.000 . . . . . . A 44 LYS CD . 30394 1 521 . 1 1 44 44 LYS CE C 13 42.047 0.000 . . . . . . A 44 LYS CE . 30394 1 522 . 1 1 44 44 LYS N N 15 117.829 0.017 . . . . . . A 44 LYS N . 30394 1 523 . 1 1 45 45 ARG H H 1 7.778 0.002 . . . . . . A 45 ARG H . 30394 1 524 . 1 1 45 45 ARG HA H 1 4.187 0.000 . . . . . . A 45 ARG HA . 30394 1 525 . 1 1 45 45 ARG HB2 H 1 2.024 0.000 . . . . . . A 45 ARG HB2 . 30394 1 526 . 1 1 45 45 ARG HG2 H 1 1.844 0.000 . . . . . . A 45 ARG HG2 . 30394 1 527 . 1 1 45 45 ARG HD2 H 1 3.318 0.000 . . . . . . A 45 ARG HD2 . 30394 1 528 . 1 1 45 45 ARG HE H 1 7.539 0.000 . . . . . . A 45 ARG HE . 30394 1 529 . 1 1 45 45 ARG C C 13 180.016 0.011 . . . . . . A 45 ARG C . 30394 1 530 . 1 1 45 45 ARG CA C 13 59.675 0.000 . . . . . . A 45 ARG CA . 30394 1 531 . 1 1 45 45 ARG CB C 13 30.346 0.000 . . . . . . A 45 ARG CB . 30394 1 532 . 1 1 45 45 ARG CG C 13 27.840 0.000 . . . . . . A 45 ARG CG . 30394 1 533 . 1 1 45 45 ARG CD C 13 43.430 0.000 . . . . . . A 45 ARG CD . 30394 1 534 . 1 1 45 45 ARG N N 15 118.817 0.005 . . . . . . A 45 ARG N . 30394 1 535 . 1 1 45 45 ARG NE N 15 84.325 0.000 . . . . . . A 45 ARG NE . 30394 1 536 . 1 1 46 46 VAL H H 1 8.342 0.002 . . . . . . A 46 VAL H . 30394 1 537 . 1 1 46 46 VAL HA H 1 3.864 0.000 . . . . . . A 46 VAL HA . 30394 1 538 . 1 1 46 46 VAL HB H 1 2.043 0.000 . . . . . . A 46 VAL HB . 30394 1 539 . 1 1 46 46 VAL HG11 H 1 0.821 0.000 . . . . . . A 46 VAL HG11 . 30394 1 540 . 1 1 46 46 VAL HG12 H 1 0.821 0.000 . . . . . . A 46 VAL HG12 . 30394 1 541 . 1 1 46 46 VAL HG13 H 1 0.821 0.000 . . . . . . A 46 VAL HG13 . 30394 1 542 . 1 1 46 46 VAL HG21 H 1 1.005 0.000 . . . . . . A 46 VAL HG21 . 30394 1 543 . 1 1 46 46 VAL HG22 H 1 1.005 0.000 . . . . . . A 46 VAL HG22 . 30394 1 544 . 1 1 46 46 VAL HG23 H 1 1.005 0.000 . . . . . . A 46 VAL HG23 . 30394 1 545 . 1 1 46 46 VAL C C 13 177.475 0.003 . . . . . . A 46 VAL C . 30394 1 546 . 1 1 46 46 VAL CA C 13 66.148 0.000 . . . . . . A 46 VAL CA . 30394 1 547 . 1 1 46 46 VAL CB C 13 31.134 0.000 . . . . . . A 46 VAL CB . 30394 1 548 . 1 1 46 46 VAL CG1 C 13 21.673 0.000 . . . . . . A 46 VAL CG1 . 30394 1 549 . 1 1 46 46 VAL CG2 C 13 23.955 0.000 . . . . . . A 46 VAL CG2 . 30394 1 550 . 1 1 46 46 VAL N N 15 120.152 0.029 . . . . . . A 46 VAL N . 30394 1 551 . 1 1 47 47 ALA H H 1 8.341 0.002 . . . . . . A 47 ALA H . 30394 1 552 . 1 1 47 47 ALA HA H 1 3.932 0.000 . . . . . . A 47 ALA HA . 30394 1 553 . 1 1 47 47 ALA HB1 H 1 1.583 0.000 . . . . . . A 47 ALA HB1 . 30394 1 554 . 1 1 47 47 ALA HB2 H 1 1.583 0.000 . . . . . . A 47 ALA HB2 . 30394 1 555 . 1 1 47 47 ALA HB3 H 1 1.583 0.000 . . . . . . A 47 ALA HB3 . 30394 1 556 . 1 1 47 47 ALA C C 13 179.511 0.010 . . . . . . A 47 ALA C . 30394 1 557 . 1 1 47 47 ALA CA C 13 55.515 0.000 . . . . . . A 47 ALA CA . 30394 1 558 . 1 1 47 47 ALA CB C 13 19.659 0.000 . . . . . . A 47 ALA CB . 30394 1 559 . 1 1 47 47 ALA N N 15 123.317 0.005 . . . . . . A 47 ALA N . 30394 1 560 . 1 1 48 48 GLU H H 1 8.183 0.003 . . . . . . A 48 GLU H . 30394 1 561 . 1 1 48 48 GLU HA H 1 4.098 0.000 . . . . . . A 48 GLU HA . 30394 1 562 . 1 1 48 48 GLU HB2 H 1 2.082 0.000 . . . . . . A 48 GLU HB2 . 30394 1 563 . 1 1 48 48 GLU HB3 H 1 2.252 0.000 . . . . . . A 48 GLU HB3 . 30394 1 564 . 1 1 48 48 GLU HG2 H 1 2.630 0.000 . . . . . . A 48 GLU HG2 . 30394 1 565 . 1 1 48 48 GLU HG3 H 1 2.294 0.000 . . . . . . A 48 GLU HG3 . 30394 1 566 . 1 1 48 48 GLU C C 13 179.407 0.016 . . . . . . A 48 GLU C . 30394 1 567 . 1 1 48 48 GLU CA C 13 59.470 0.000 . . . . . . A 48 GLU CA . 30394 1 568 . 1 1 48 48 GLU CB C 13 29.288 0.003 . . . . . . A 48 GLU CB . 30394 1 569 . 1 1 48 48 GLU CG C 13 36.984 0.042 . . . . . . A 48 GLU CG . 30394 1 570 . 1 1 48 48 GLU N N 15 117.379 0.014 . . . . . . A 48 GLU N . 30394 1 571 . 1 1 49 49 GLU H H 1 8.050 0.002 . . . . . . A 49 GLU H . 30394 1 572 . 1 1 49 49 GLU HA H 1 3.981 0.000 . . . . . . A 49 GLU HA . 30394 1 573 . 1 1 49 49 GLU HB2 H 1 2.109 0.000 . . . . . . A 49 GLU HB2 . 30394 1 574 . 1 1 49 49 GLU HB3 H 1 2.245 0.000 . . . . . . A 49 GLU HB3 . 30394 1 575 . 1 1 49 49 GLU HG2 H 1 2.099 0.000 . . . . . . A 49 GLU HG2 . 30394 1 576 . 1 1 49 49 GLU C C 13 178.075 0.018 . . . . . . A 49 GLU C . 30394 1 577 . 1 1 49 49 GLU CA C 13 59.560 0.000 . . . . . . A 49 GLU CA . 30394 1 578 . 1 1 49 49 GLU CB C 13 29.224 0.003 . . . . . . A 49 GLU CB . 30394 1 579 . 1 1 49 49 GLU CG C 13 36.267 0.000 . . . . . . A 49 GLU CG . 30394 1 580 . 1 1 49 49 GLU N N 15 121.426 0.012 . . . . . . A 49 GLU N . 30394 1 581 . 1 1 50 50 ALA H H 1 8.665 0.002 . . . . . . A 50 ALA H . 30394 1 582 . 1 1 50 50 ALA HA H 1 3.747 0.000 . . . . . . A 50 ALA HA . 30394 1 583 . 1 1 50 50 ALA HB1 H 1 1.307 0.000 . . . . . . A 50 ALA HB1 . 30394 1 584 . 1 1 50 50 ALA HB2 H 1 1.307 0.000 . . . . . . A 50 ALA HB2 . 30394 1 585 . 1 1 50 50 ALA HB3 H 1 1.307 0.000 . . . . . . A 50 ALA HB3 . 30394 1 586 . 1 1 50 50 ALA C C 13 179.167 0.001 . . . . . . A 50 ALA C . 30394 1 587 . 1 1 50 50 ALA CA C 13 55.334 0.000 . . . . . . A 50 ALA CA . 30394 1 588 . 1 1 50 50 ALA CB C 13 17.480 0.000 . . . . . . A 50 ALA CB . 30394 1 589 . 1 1 50 50 ALA N N 15 121.242 0.016 . . . . . . A 50 ALA N . 30394 1 590 . 1 1 51 51 GLU H H 1 7.873 0.002 . . . . . . A 51 GLU H . 30394 1 591 . 1 1 51 51 GLU HA H 1 4.155 0.000 . . . . . . A 51 GLU HA . 30394 1 592 . 1 1 51 51 GLU HB2 H 1 2.135 0.000 . . . . . . A 51 GLU HB2 . 30394 1 593 . 1 1 51 51 GLU HB3 H 1 2.241 0.000 . . . . . . A 51 GLU HB3 . 30394 1 594 . 1 1 51 51 GLU HG2 H 1 2.440 0.000 . . . . . . A 51 GLU HG2 . 30394 1 595 . 1 1 51 51 GLU C C 13 179.502 0.070 . . . . . . A 51 GLU C . 30394 1 596 . 1 1 51 51 GLU CA C 13 59.174 0.000 . . . . . . A 51 GLU CA . 30394 1 597 . 1 1 51 51 GLU CB C 13 29.955 0.002 . . . . . . A 51 GLU CB . 30394 1 598 . 1 1 51 51 GLU CG C 13 35.957 0.000 . . . . . . A 51 GLU CG . 30394 1 599 . 1 1 51 51 GLU N N 15 117.399 0.014 . . . . . . A 51 GLU N . 30394 1 600 . 1 1 52 52 ARG H H 1 8.318 0.003 . . . . . . A 52 ARG H . 30394 1 601 . 1 1 52 52 ARG HA H 1 4.126 0.000 . . . . . . A 52 ARG HA . 30394 1 602 . 1 1 52 52 ARG HB2 H 1 1.940 0.000 . . . . . . A 52 ARG HB2 . 30394 1 603 . 1 1 52 52 ARG HB3 H 1 2.012 0.000 . . . . . . A 52 ARG HB3 . 30394 1 604 . 1 1 52 52 ARG HG2 H 1 1.716 0.000 . . . . . . A 52 ARG HG2 . 30394 1 605 . 1 1 52 52 ARG HD2 H 1 3.267 0.000 . . . . . . A 52 ARG HD2 . 30394 1 606 . 1 1 52 52 ARG HE H 1 7.544 0.000 . . . . . . A 52 ARG HE . 30394 1 607 . 1 1 52 52 ARG C C 13 178.327 0.010 . . . . . . A 52 ARG C . 30394 1 608 . 1 1 52 52 ARG CA C 13 59.176 0.000 . . . . . . A 52 ARG CA . 30394 1 609 . 1 1 52 52 ARG CB C 13 30.456 0.000 . . . . . . A 52 ARG CB . 30394 1 610 . 1 1 52 52 ARG CG C 13 27.677 0.000 . . . . . . A 52 ARG CG . 30394 1 611 . 1 1 52 52 ARG CD C 13 43.540 0.000 . . . . . . A 52 ARG CD . 30394 1 612 . 1 1 52 52 ARG N N 15 120.556 0.150 . . . . . . A 52 ARG N . 30394 1 613 . 1 1 52 52 ARG NE N 15 84.529 0.000 . . . . . . A 52 ARG NE . 30394 1 614 . 1 1 53 53 ARG H H 1 8.290 0.002 . . . . . . A 53 ARG H . 30394 1 615 . 1 1 53 53 ARG HA H 1 4.280 0.000 . . . . . . A 53 ARG HA . 30394 1 616 . 1 1 53 53 ARG HB2 H 1 2.023 0.000 . . . . . . A 53 ARG HB2 . 30394 1 617 . 1 1 53 53 ARG HB3 H 1 1.639 0.000 . . . . . . A 53 ARG HB3 . 30394 1 618 . 1 1 53 53 ARG HG2 H 1 1.821 0.000 . . . . . . A 53 ARG HG2 . 30394 1 619 . 1 1 53 53 ARG HG3 H 1 1.660 0.000 . . . . . . A 53 ARG HG3 . 30394 1 620 . 1 1 53 53 ARG HD2 H 1 3.147 0.000 . . . . . . A 53 ARG HD2 . 30394 1 621 . 1 1 53 53 ARG HE H 1 7.764 0.000 . . . . . . A 53 ARG HE . 30394 1 622 . 1 1 53 53 ARG C C 13 175.472 0.003 . . . . . . A 53 ARG C . 30394 1 623 . 1 1 53 53 ARG CA C 13 55.698 0.000 . . . . . . A 53 ARG CA . 30394 1 624 . 1 1 53 53 ARG CB C 13 29.575 0.004 . . . . . . A 53 ARG CB . 30394 1 625 . 1 1 53 53 ARG CG C 13 27.683 0.018 . . . . . . A 53 ARG CG . 30394 1 626 . 1 1 53 53 ARG CD C 13 43.387 0.000 . . . . . . A 53 ARG CD . 30394 1 627 . 1 1 53 53 ARG N N 15 114.997 0.034 . . . . . . A 53 ARG N . 30394 1 628 . 1 1 53 53 ARG NE N 15 84.732 0.000 . . . . . . A 53 ARG NE . 30394 1 629 . 1 1 54 54 ASN H H 1 7.851 0.002 . . . . . . A 54 ASN H . 30394 1 630 . 1 1 54 54 ASN HA H 1 4.400 0.000 . . . . . . A 54 ASN HA . 30394 1 631 . 1 1 54 54 ASN HB2 H 1 2.734 0.000 . . . . . . A 54 ASN HB2 . 30394 1 632 . 1 1 54 54 ASN HB3 H 1 2.947 0.000 . . . . . . A 54 ASN HB3 . 30394 1 633 . 1 1 54 54 ASN HD21 H 1 6.810 0.000 . . . . . . A 54 ASN HD21 . 30394 1 634 . 1 1 54 54 ASN HD22 H 1 7.495 0.000 . . . . . . A 54 ASN HD22 . 30394 1 635 . 1 1 54 54 ASN C C 13 174.640 0.015 . . . . . . A 54 ASN C . 30394 1 636 . 1 1 54 54 ASN CA C 13 53.971 0.000 . . . . . . A 54 ASN CA . 30394 1 637 . 1 1 54 54 ASN CB C 13 37.259 0.010 . . . . . . A 54 ASN CB . 30394 1 638 . 1 1 54 54 ASN N N 15 116.674 0.016 . . . . . . A 54 ASN N . 30394 1 639 . 1 1 54 54 ASN ND2 N 15 111.781 0.000 . . . . . . A 54 ASN ND2 . 30394 1 640 . 1 1 55 55 ALA H H 1 8.080 0.002 . . . . . . A 55 ALA H . 30394 1 641 . 1 1 55 55 ALA HA H 1 3.817 0.000 . . . . . . A 55 ALA HA . 30394 1 642 . 1 1 55 55 ALA HB1 H 1 1.099 0.000 . . . . . . A 55 ALA HB1 . 30394 1 643 . 1 1 55 55 ALA HB2 H 1 1.099 0.000 . . . . . . A 55 ALA HB2 . 30394 1 644 . 1 1 55 55 ALA HB3 H 1 1.099 0.000 . . . . . . A 55 ALA HB3 . 30394 1 645 . 1 1 55 55 ALA C C 13 176.443 0.022 . . . . . . A 55 ALA C . 30394 1 646 . 1 1 55 55 ALA CA C 13 53.409 0.000 . . . . . . A 55 ALA CA . 30394 1 647 . 1 1 55 55 ALA CB C 13 18.388 0.000 . . . . . . A 55 ALA CB . 30394 1 648 . 1 1 55 55 ALA N N 15 118.594 0.015 . . . . . . A 55 ALA N . 30394 1 649 . 1 1 56 56 ASP H H 1 8.698 0.002 . . . . . . A 56 ASP H . 30394 1 650 . 1 1 56 56 ASP HA H 1 4.761 0.000 . . . . . . A 56 ASP HA . 30394 1 651 . 1 1 56 56 ASP HB2 H 1 2.376 0.000 . . . . . . A 56 ASP HB2 . 30394 1 652 . 1 1 56 56 ASP HB3 H 1 2.494 0.000 . . . . . . A 56 ASP HB3 . 30394 1 653 . 1 1 56 56 ASP C C 13 176.545 0.070 . . . . . . A 56 ASP C . 30394 1 654 . 1 1 56 56 ASP CA C 13 57.114 0.000 . . . . . . A 56 ASP CA . 30394 1 655 . 1 1 56 56 ASP CB C 13 43.586 0.009 . . . . . . A 56 ASP CB . 30394 1 656 . 1 1 56 56 ASP N N 15 120.223 0.008 . . . . . . A 56 ASP N . 30394 1 657 . 1 1 57 57 ILE H H 1 7.634 0.003 . . . . . . A 57 ILE H . 30394 1 658 . 1 1 57 57 ILE HA H 1 4.883 0.000 . . . . . . A 57 ILE HA . 30394 1 659 . 1 1 57 57 ILE HB H 1 1.593 0.000 . . . . . . A 57 ILE HB . 30394 1 660 . 1 1 57 57 ILE HG12 H 1 0.895 0.000 . . . . . . A 57 ILE HG12 . 30394 1 661 . 1 1 57 57 ILE HG13 H 1 1.280 0.000 . . . . . . A 57 ILE HG13 . 30394 1 662 . 1 1 57 57 ILE HG21 H 1 0.731 0.000 . . . . . . A 57 ILE HG21 . 30394 1 663 . 1 1 57 57 ILE HG22 H 1 0.731 0.000 . . . . . . A 57 ILE HG22 . 30394 1 664 . 1 1 57 57 ILE HG23 H 1 0.731 0.000 . . . . . . A 57 ILE HG23 . 30394 1 665 . 1 1 57 57 ILE HD11 H 1 0.683 0.000 . . . . . . A 57 ILE HD11 . 30394 1 666 . 1 1 57 57 ILE HD12 H 1 0.683 0.000 . . . . . . A 57 ILE HD12 . 30394 1 667 . 1 1 57 57 ILE HD13 H 1 0.683 0.000 . . . . . . A 57 ILE HD13 . 30394 1 668 . 1 1 57 57 ILE C C 13 173.372 0.028 . . . . . . A 57 ILE C . 30394 1 669 . 1 1 57 57 ILE CA C 13 59.464 0.000 . . . . . . A 57 ILE CA . 30394 1 670 . 1 1 57 57 ILE CB C 13 42.420 0.000 . . . . . . A 57 ILE CB . 30394 1 671 . 1 1 57 57 ILE CG1 C 13 27.712 0.021 . . . . . . A 57 ILE CG1 . 30394 1 672 . 1 1 57 57 ILE CG2 C 13 17.684 0.000 . . . . . . A 57 ILE CG2 . 30394 1 673 . 1 1 57 57 ILE CD1 C 13 13.879 0.000 . . . . . . A 57 ILE CD1 . 30394 1 674 . 1 1 57 57 ILE N N 15 115.900 0.037 . . . . . . A 57 ILE N . 30394 1 675 . 1 1 58 58 VAL H H 1 8.829 0.002 . . . . . . A 58 VAL H . 30394 1 676 . 1 1 58 58 VAL HA H 1 5.024 0.000 . . . . . . A 58 VAL HA . 30394 1 677 . 1 1 58 58 VAL HB H 1 1.850 0.000 . . . . . . A 58 VAL HB . 30394 1 678 . 1 1 58 58 VAL HG11 H 1 0.644 0.000 . . . . . . A 58 VAL HG11 . 30394 1 679 . 1 1 58 58 VAL HG12 H 1 0.644 0.000 . . . . . . A 58 VAL HG12 . 30394 1 680 . 1 1 58 58 VAL HG13 H 1 0.644 0.000 . . . . . . A 58 VAL HG13 . 30394 1 681 . 1 1 58 58 VAL HG21 H 1 0.701 0.000 . . . . . . A 58 VAL HG21 . 30394 1 682 . 1 1 58 58 VAL HG22 H 1 0.701 0.000 . . . . . . A 58 VAL HG22 . 30394 1 683 . 1 1 58 58 VAL HG23 H 1 0.701 0.000 . . . . . . A 58 VAL HG23 . 30394 1 684 . 1 1 58 58 VAL C C 13 174.388 0.000 . . . . . . A 58 VAL C . 30394 1 685 . 1 1 58 58 VAL CA C 13 60.563 0.000 . . . . . . A 58 VAL CA . 30394 1 686 . 1 1 58 58 VAL CB C 13 33.542 0.000 . . . . . . A 58 VAL CB . 30394 1 687 . 1 1 58 58 VAL CG1 C 13 21.091 0.000 . . . . . . A 58 VAL CG1 . 30394 1 688 . 1 1 58 58 VAL CG2 C 13 21.198 0.000 . . . . . . A 58 VAL CG2 . 30394 1 689 . 1 1 58 58 VAL N N 15 126.174 0.032 . . . . . . A 58 VAL N . 30394 1 690 . 1 1 59 59 VAL H H 1 8.999 0.002 . . . . . . A 59 VAL H . 30394 1 691 . 1 1 59 59 VAL HA H 1 4.786 0.000 . . . . . . A 59 VAL HA . 30394 1 692 . 1 1 59 59 VAL HB H 1 1.908 0.000 . . . . . . A 59 VAL HB . 30394 1 693 . 1 1 59 59 VAL HG11 H 1 0.695 0.000 . . . . . . A 59 VAL HG11 . 30394 1 694 . 1 1 59 59 VAL HG12 H 1 0.695 0.000 . . . . . . A 59 VAL HG12 . 30394 1 695 . 1 1 59 59 VAL HG13 H 1 0.695 0.000 . . . . . . A 59 VAL HG13 . 30394 1 696 . 1 1 59 59 VAL HG21 H 1 0.763 0.000 . . . . . . A 59 VAL HG21 . 30394 1 697 . 1 1 59 59 VAL HG22 H 1 0.763 0.000 . . . . . . A 59 VAL HG22 . 30394 1 698 . 1 1 59 59 VAL HG23 H 1 0.763 0.000 . . . . . . A 59 VAL HG23 . 30394 1 699 . 1 1 59 59 VAL C C 13 174.404 0.007 . . . . . . A 59 VAL C . 30394 1 700 . 1 1 59 59 VAL CA C 13 60.221 0.000 . . . . . . A 59 VAL CA . 30394 1 701 . 1 1 59 59 VAL CB C 13 33.357 0.000 . . . . . . A 59 VAL CB . 30394 1 702 . 1 1 59 59 VAL CG1 C 13 21.092 0.000 . . . . . . A 59 VAL CG1 . 30394 1 703 . 1 1 59 59 VAL CG2 C 13 21.780 0.000 . . . . . . A 59 VAL CG2 . 30394 1 704 . 1 1 59 59 VAL N N 15 127.200 0.016 . . . . . . A 59 VAL N . 30394 1 705 . 1 1 60 60 ILE H H 1 9.357 0.004 . . . . . . A 60 ILE H . 30394 1 706 . 1 1 60 60 ILE HA H 1 4.722 0.000 . . . . . . A 60 ILE HA . 30394 1 707 . 1 1 60 60 ILE HB H 1 1.814 0.000 . . . . . . A 60 ILE HB . 30394 1 708 . 1 1 60 60 ILE HG12 H 1 0.758 0.000 . . . . . . A 60 ILE HG12 . 30394 1 709 . 1 1 60 60 ILE HG13 H 1 1.541 0.000 . . . . . . A 60 ILE HG13 . 30394 1 710 . 1 1 60 60 ILE HG21 H 1 0.800 0.000 . . . . . . A 60 ILE HG21 . 30394 1 711 . 1 1 60 60 ILE HG22 H 1 0.800 0.000 . . . . . . A 60 ILE HG22 . 30394 1 712 . 1 1 60 60 ILE HG23 H 1 0.800 0.000 . . . . . . A 60 ILE HG23 . 30394 1 713 . 1 1 60 60 ILE HD11 H 1 0.756 0.000 . . . . . . A 60 ILE HD11 . 30394 1 714 . 1 1 60 60 ILE HD12 H 1 0.756 0.000 . . . . . . A 60 ILE HD12 . 30394 1 715 . 1 1 60 60 ILE HD13 H 1 0.756 0.000 . . . . . . A 60 ILE HD13 . 30394 1 716 . 1 1 60 60 ILE C C 13 174.811 0.056 . . . . . . A 60 ILE C . 30394 1 717 . 1 1 60 60 ILE CA C 13 60.582 0.000 . . . . . . A 60 ILE CA . 30394 1 718 . 1 1 60 60 ILE CB C 13 39.225 0.000 . . . . . . A 60 ILE CB . 30394 1 719 . 1 1 60 60 ILE CG1 C 13 28.059 0.006 . . . . . . A 60 ILE CG1 . 30394 1 720 . 1 1 60 60 ILE CG2 C 13 18.008 0.000 . . . . . . A 60 ILE CG2 . 30394 1 721 . 1 1 60 60 ILE CD1 C 13 14.258 0.000 . . . . . . A 60 ILE CD1 . 30394 1 722 . 1 1 60 60 ILE N N 15 128.112 0.011 . . . . . . A 60 ILE N . 30394 1 723 . 1 1 61 61 VAL H H 1 9.418 0.003 . . . . . . A 61 VAL H . 30394 1 724 . 1 1 61 61 VAL HA H 1 4.633 0.000 . . . . . . A 61 VAL HA . 30394 1 725 . 1 1 61 61 VAL HB H 1 2.090 0.000 . . . . . . A 61 VAL HB . 30394 1 726 . 1 1 61 61 VAL HG11 H 1 0.770 0.000 . . . . . . A 61 VAL HG11 . 30394 1 727 . 1 1 61 61 VAL HG12 H 1 0.770 0.000 . . . . . . A 61 VAL HG12 . 30394 1 728 . 1 1 61 61 VAL HG13 H 1 0.770 0.000 . . . . . . A 61 VAL HG13 . 30394 1 729 . 1 1 61 61 VAL C C 13 174.986 0.044 . . . . . . A 61 VAL C . 30394 1 730 . 1 1 61 61 VAL CA C 13 60.675 0.000 . . . . . . A 61 VAL CA . 30394 1 731 . 1 1 61 61 VAL CB C 13 32.557 0.000 . . . . . . A 61 VAL CB . 30394 1 732 . 1 1 61 61 VAL CG1 C 13 20.900 0.000 . . . . . . A 61 VAL CG1 . 30394 1 733 . 1 1 61 61 VAL N N 15 129.890 0.019 . . . . . . A 61 VAL N . 30394 1 734 . 1 1 62 62 GLY H H 1 8.398 0.003 . . . . . . A 62 GLY H . 30394 1 735 . 1 1 62 62 GLY HA2 H 1 3.919 0.000 . . . . . . A 62 GLY HA2 . 30394 1 736 . 1 1 62 62 GLY HA3 H 1 4.606 0.000 . . . . . . A 62 GLY HA3 . 30394 1 737 . 1 1 62 62 GLY C C 13 170.985 0.000 . . . . . . A 62 GLY C . 30394 1 738 . 1 1 62 62 GLY CA C 13 44.557 0.004 . . . . . . A 62 GLY CA . 30394 1 739 . 1 1 62 62 GLY N N 15 113.924 0.018 . . . . . . A 62 GLY N . 30394 1 740 . 1 1 63 63 PRO HA H 1 4.663 0.000 . . . . . . A 63 PRO HA . 30394 1 741 . 1 1 63 63 PRO HB2 H 1 2.003 0.000 . . . . . . A 63 PRO HB2 . 30394 1 742 . 1 1 63 63 PRO HB3 H 1 2.344 0.000 . . . . . . A 63 PRO HB3 . 30394 1 743 . 1 1 63 63 PRO HG2 H 1 2.000 0.000 . . . . . . A 63 PRO HG2 . 30394 1 744 . 1 1 63 63 PRO HD2 H 1 3.637 0.000 . . . . . . A 63 PRO HD2 . 30394 1 745 . 1 1 63 63 PRO C C 13 177.229 0.000 . . . . . . A 63 PRO C . 30394 1 746 . 1 1 63 63 PRO CA C 13 62.709 0.000 . . . . . . A 63 PRO CA . 30394 1 747 . 1 1 63 63 PRO CB C 13 32.518 0.016 . . . . . . A 63 PRO CB . 30394 1 748 . 1 1 63 63 PRO CG C 13 27.383 0.000 . . . . . . A 63 PRO CG . 30394 1 749 . 1 1 63 63 PRO CD C 13 49.811 0.000 . . . . . . A 63 PRO CD . 30394 1 750 . 1 1 64 64 SER H H 1 8.639 0.003 . . . . . . A 64 SER H . 30394 1 751 . 1 1 64 64 SER HA H 1 4.480 0.000 . . . . . . A 64 SER HA . 30394 1 752 . 1 1 64 64 SER HB2 H 1 3.957 0.000 . . . . . . A 64 SER HB2 . 30394 1 753 . 1 1 64 64 SER C C 13 175.342 0.034 . . . . . . A 64 SER C . 30394 1 754 . 1 1 64 64 SER CA C 13 58.525 0.000 . . . . . . A 64 SER CA . 30394 1 755 . 1 1 64 64 SER CB C 13 64.007 0.000 . . . . . . A 64 SER CB . 30394 1 756 . 1 1 64 64 SER N N 15 115.913 0.034 . . . . . . A 64 SER N . 30394 1 757 . 1 1 65 65 GLY H H 1 8.624 0.001 . . . . . . A 65 GLY H . 30394 1 758 . 1 1 65 65 GLY HA2 H 1 4.243 0.000 . . . . . . A 65 GLY HA2 . 30394 1 759 . 1 1 65 65 GLY HA3 H 1 3.977 0.000 . . . . . . A 65 GLY HA3 . 30394 1 760 . 1 1 65 65 GLY C C 13 174.974 0.000 . . . . . . A 65 GLY C . 30394 1 761 . 1 1 65 65 GLY CA C 13 45.566 0.006 . . . . . . A 65 GLY CA . 30394 1 762 . 1 1 65 65 GLY N N 15 110.945 0.033 . . . . . . A 65 GLY N . 30394 1 763 . 1 1 66 66 SER H H 1 8.507 0.003 . . . . . . A 66 SER H . 30394 1 764 . 1 1 66 66 SER HA H 1 4.440 0.000 . . . . . . A 66 SER HA . 30394 1 765 . 1 1 66 66 SER HB2 H 1 3.944 0.000 . . . . . . A 66 SER HB2 . 30394 1 766 . 1 1 66 66 SER C C 13 175.651 0.000 . . . . . . A 66 SER C . 30394 1 767 . 1 1 66 66 SER CA C 13 59.429 0.000 . . . . . . A 66 SER CA . 30394 1 768 . 1 1 66 66 SER CB C 13 63.798 0.000 . . . . . . A 66 SER CB . 30394 1 769 . 1 1 66 66 SER N N 15 116.545 0.013 . . . . . . A 66 SER N . 30394 1 770 . 1 1 67 67 GLY H H 1 8.589 0.002 . . . . . . A 67 GLY H . 30394 1 771 . 1 1 67 67 GLY HA2 H 1 3.988 0.000 . . . . . . A 67 GLY HA2 . 30394 1 772 . 1 1 67 67 GLY C C 13 174.371 0.006 . . . . . . A 67 GLY C . 30394 1 773 . 1 1 67 67 GLY CA C 13 45.798 0.000 . . . . . . A 67 GLY CA . 30394 1 774 . 1 1 67 67 GLY N N 15 111.188 0.020 . . . . . . A 67 GLY N . 30394 1 775 . 1 1 68 68 LYS H H 1 8.030 0.002 . . . . . . A 68 LYS H . 30394 1 776 . 1 1 68 68 LYS HA H 1 4.324 0.000 . . . . . . A 68 LYS HA . 30394 1 777 . 1 1 68 68 LYS HB2 H 1 1.784 0.000 . . . . . . A 68 LYS HB2 . 30394 1 778 . 1 1 68 68 LYS HB3 H 1 1.912 0.000 . . . . . . A 68 LYS HB3 . 30394 1 779 . 1 1 68 68 LYS HG2 H 1 1.462 0.000 . . . . . . A 68 LYS HG2 . 30394 1 780 . 1 1 68 68 LYS HD2 H 1 1.689 0.000 . . . . . . A 68 LYS HD2 . 30394 1 781 . 1 1 68 68 LYS HD3 H 1 1.757 0.000 . . . . . . A 68 LYS HD3 . 30394 1 782 . 1 1 68 68 LYS HE2 H 1 2.988 0.000 . . . . . . A 68 LYS HE2 . 30394 1 783 . 1 1 68 68 LYS C C 13 176.865 0.018 . . . . . . A 68 LYS C . 30394 1 784 . 1 1 68 68 LYS CA C 13 56.697 0.000 . . . . . . A 68 LYS CA . 30394 1 785 . 1 1 68 68 LYS CB C 13 32.873 0.014 . . . . . . A 68 LYS CB . 30394 1 786 . 1 1 68 68 LYS CG C 13 24.815 0.000 . . . . . . A 68 LYS CG . 30394 1 787 . 1 1 68 68 LYS CD C 13 29.135 0.004 . . . . . . A 68 LYS CD . 30394 1 788 . 1 1 68 68 LYS CE C 13 42.271 0.000 . . . . . . A 68 LYS CE . 30394 1 789 . 1 1 68 68 LYS N N 15 119.823 0.013 . . . . . . A 68 LYS N . 30394 1 790 . 1 1 69 69 SER H H 1 8.302 0.004 . . . . . . A 69 SER H . 30394 1 791 . 1 1 69 69 SER HA H 1 4.573 0.000 . . . . . . A 69 SER HA . 30394 1 792 . 1 1 69 69 SER HB2 H 1 3.974 0.000 . . . . . . A 69 SER HB2 . 30394 1 793 . 1 1 69 69 SER HB3 H 1 4.114 0.000 . . . . . . A 69 SER HB3 . 30394 1 794 . 1 1 69 69 SER C C 13 175.503 0.027 . . . . . . A 69 SER C . 30394 1 795 . 1 1 69 69 SER CA C 13 58.243 0.000 . . . . . . A 69 SER CA . 30394 1 796 . 1 1 69 69 SER CB C 13 64.111 0.006 . . . . . . A 69 SER CB . 30394 1 797 . 1 1 69 69 SER N N 15 116.302 0.028 . . . . . . A 69 SER N . 30394 1 798 . 1 1 70 70 THR H H 1 8.430 0.003 . . . . . . A 70 THR H . 30394 1 799 . 1 1 70 70 THR HA H 1 4.082 0.000 . . . . . . A 70 THR HA . 30394 1 800 . 1 1 70 70 THR HB H 1 4.295 0.000 . . . . . . A 70 THR HB . 30394 1 801 . 1 1 70 70 THR HG21 H 1 1.303 0.000 . . . . . . A 70 THR HG21 . 30394 1 802 . 1 1 70 70 THR HG22 H 1 1.303 0.000 . . . . . . A 70 THR HG22 . 30394 1 803 . 1 1 70 70 THR HG23 H 1 1.303 0.000 . . . . . . A 70 THR HG23 . 30394 1 804 . 1 1 70 70 THR C C 13 176.274 0.000 . . . . . . A 70 THR C . 30394 1 805 . 1 1 70 70 THR CA C 13 65.060 0.000 . . . . . . A 70 THR CA . 30394 1 806 . 1 1 70 70 THR CB C 13 69.158 0.000 . . . . . . A 70 THR CB . 30394 1 807 . 1 1 70 70 THR CG2 C 13 22.116 0.000 . . . . . . A 70 THR CG2 . 30394 1 808 . 1 1 70 70 THR N N 15 118.560 0.075 . . . . . . A 70 THR N . 30394 1 809 . 1 1 71 71 LEU H H 1 8.175 0.002 . . . . . . A 71 LEU H . 30394 1 810 . 1 1 71 71 LEU HA H 1 4.103 0.000 . . . . . . A 71 LEU HA . 30394 1 811 . 1 1 71 71 LEU HB2 H 1 1.457 0.000 . . . . . . A 71 LEU HB2 . 30394 1 812 . 1 1 71 71 LEU HB3 H 1 1.667 0.000 . . . . . . A 71 LEU HB3 . 30394 1 813 . 1 1 71 71 LEU HG H 1 1.529 0.000 . . . . . . A 71 LEU HG . 30394 1 814 . 1 1 71 71 LEU HD11 H 1 0.735 0.000 . . . . . . A 71 LEU HD11 . 30394 1 815 . 1 1 71 71 LEU HD12 H 1 0.735 0.000 . . . . . . A 71 LEU HD12 . 30394 1 816 . 1 1 71 71 LEU HD13 H 1 0.735 0.000 . . . . . . A 71 LEU HD13 . 30394 1 817 . 1 1 71 71 LEU HD21 H 1 0.759 0.000 . . . . . . A 71 LEU HD21 . 30394 1 818 . 1 1 71 71 LEU HD22 H 1 0.759 0.000 . . . . . . A 71 LEU HD22 . 30394 1 819 . 1 1 71 71 LEU HD23 H 1 0.759 0.000 . . . . . . A 71 LEU HD23 . 30394 1 820 . 1 1 71 71 LEU C C 13 178.225 0.012 . . . . . . A 71 LEU C . 30394 1 821 . 1 1 71 71 LEU CA C 13 57.815 0.000 . . . . . . A 71 LEU CA . 30394 1 822 . 1 1 71 71 LEU CB C 13 41.321 0.020 . . . . . . A 71 LEU CB . 30394 1 823 . 1 1 71 71 LEU CG C 13 27.032 0.000 . . . . . . A 71 LEU CG . 30394 1 824 . 1 1 71 71 LEU CD1 C 13 24.710 0.000 . . . . . . A 71 LEU CD1 . 30394 1 825 . 1 1 71 71 LEU CD2 C 13 23.447 0.000 . . . . . . A 71 LEU CD2 . 30394 1 826 . 1 1 71 71 LEU N N 15 121.194 0.027 . . . . . . A 71 LEU N . 30394 1 827 . 1 1 72 72 ALA H H 1 8.243 0.002 . . . . . . A 72 ALA H . 30394 1 828 . 1 1 72 72 ALA HA H 1 3.805 0.000 . . . . . . A 72 ALA HA . 30394 1 829 . 1 1 72 72 ALA HB1 H 1 1.474 0.000 . . . . . . A 72 ALA HB1 . 30394 1 830 . 1 1 72 72 ALA HB2 H 1 1.474 0.000 . . . . . . A 72 ALA HB2 . 30394 1 831 . 1 1 72 72 ALA HB3 H 1 1.474 0.000 . . . . . . A 72 ALA HB3 . 30394 1 832 . 1 1 72 72 ALA C C 13 179.511 0.013 . . . . . . A 72 ALA C . 30394 1 833 . 1 1 72 72 ALA CA C 13 55.792 0.000 . . . . . . A 72 ALA CA . 30394 1 834 . 1 1 72 72 ALA CB C 13 18.322 0.000 . . . . . . A 72 ALA CB . 30394 1 835 . 1 1 72 72 ALA N N 15 119.946 0.024 . . . . . . A 72 ALA N . 30394 1 836 . 1 1 73 73 LYS H H 1 7.721 0.002 . . . . . . A 73 LYS H . 30394 1 837 . 1 1 73 73 LYS HA H 1 3.991 0.000 . . . . . . A 73 LYS HA . 30394 1 838 . 1 1 73 73 LYS HB2 H 1 1.962 0.000 . . . . . . A 73 LYS HB2 . 30394 1 839 . 1 1 73 73 LYS HB3 H 1 2.008 0.000 . . . . . . A 73 LYS HB3 . 30394 1 840 . 1 1 73 73 LYS HG2 H 1 1.477 0.000 . . . . . . A 73 LYS HG2 . 30394 1 841 . 1 1 73 73 LYS HD2 H 1 1.714 0.000 . . . . . . A 73 LYS HD2 . 30394 1 842 . 1 1 73 73 LYS HE2 H 1 2.987 0.000 . . . . . . A 73 LYS HE2 . 30394 1 843 . 1 1 73 73 LYS C C 13 179.365 0.023 . . . . . . A 73 LYS C . 30394 1 844 . 1 1 73 73 LYS CA C 13 59.609 0.000 . . . . . . A 73 LYS CA . 30394 1 845 . 1 1 73 73 LYS CB C 13 32.235 0.002 . . . . . . A 73 LYS CB . 30394 1 846 . 1 1 73 73 LYS CG C 13 25.424 0.000 . . . . . . A 73 LYS CG . 30394 1 847 . 1 1 73 73 LYS CD C 13 29.262 0.000 . . . . . . A 73 LYS CD . 30394 1 848 . 1 1 73 73 LYS CE C 13 42.107 0.000 . . . . . . A 73 LYS CE . 30394 1 849 . 1 1 73 73 LYS N N 15 116.878 0.018 . . . . . . A 73 LYS N . 30394 1 850 . 1 1 74 74 ILE H H 1 7.711 0.002 . . . . . . A 74 ILE H . 30394 1 851 . 1 1 74 74 ILE HA H 1 3.793 0.000 . . . . . . A 74 ILE HA . 30394 1 852 . 1 1 74 74 ILE HB H 1 2.060 0.000 . . . . . . A 74 ILE HB . 30394 1 853 . 1 1 74 74 ILE HG12 H 1 1.231 0.000 . . . . . . A 74 ILE HG12 . 30394 1 854 . 1 1 74 74 ILE HG13 H 1 1.793 0.000 . . . . . . A 74 ILE HG13 . 30394 1 855 . 1 1 74 74 ILE HG21 H 1 0.923 0.000 . . . . . . A 74 ILE HG21 . 30394 1 856 . 1 1 74 74 ILE HG22 H 1 0.923 0.000 . . . . . . A 74 ILE HG22 . 30394 1 857 . 1 1 74 74 ILE HG23 H 1 0.923 0.000 . . . . . . A 74 ILE HG23 . 30394 1 858 . 1 1 74 74 ILE HD11 H 1 0.913 0.000 . . . . . . A 74 ILE HD11 . 30394 1 859 . 1 1 74 74 ILE HD12 H 1 0.913 0.000 . . . . . . A 74 ILE HD12 . 30394 1 860 . 1 1 74 74 ILE HD13 H 1 0.913 0.000 . . . . . . A 74 ILE HD13 . 30394 1 861 . 1 1 74 74 ILE C C 13 177.970 0.010 . . . . . . A 74 ILE C . 30394 1 862 . 1 1 74 74 ILE CA C 13 64.802 0.000 . . . . . . A 74 ILE CA . 30394 1 863 . 1 1 74 74 ILE CB C 13 38.402 0.000 . . . . . . A 74 ILE CB . 30394 1 864 . 1 1 74 74 ILE CG1 C 13 29.108 0.031 . . . . . . A 74 ILE CG1 . 30394 1 865 . 1 1 74 74 ILE CG2 C 13 17.199 0.000 . . . . . . A 74 ILE CG2 . 30394 1 866 . 1 1 74 74 ILE CD1 C 13 13.917 0.000 . . . . . . A 74 ILE CD1 . 30394 1 867 . 1 1 74 74 ILE N N 15 120.782 0.023 . . . . . . A 74 ILE N . 30394 1 868 . 1 1 75 75 VAL H H 1 8.154 0.002 . . . . . . A 75 VAL H . 30394 1 869 . 1 1 75 75 VAL HA H 1 3.434 0.000 . . . . . . A 75 VAL HA . 30394 1 870 . 1 1 75 75 VAL HB H 1 2.172 0.000 . . . . . . A 75 VAL HB . 30394 1 871 . 1 1 75 75 VAL HG11 H 1 0.833 0.000 . . . . . . A 75 VAL HG11 . 30394 1 872 . 1 1 75 75 VAL HG12 H 1 0.833 0.000 . . . . . . A 75 VAL HG12 . 30394 1 873 . 1 1 75 75 VAL HG13 H 1 0.833 0.000 . . . . . . A 75 VAL HG13 . 30394 1 874 . 1 1 75 75 VAL HG21 H 1 1.008 0.000 . . . . . . A 75 VAL HG21 . 30394 1 875 . 1 1 75 75 VAL HG22 H 1 1.008 0.000 . . . . . . A 75 VAL HG22 . 30394 1 876 . 1 1 75 75 VAL HG23 H 1 1.008 0.000 . . . . . . A 75 VAL HG23 . 30394 1 877 . 1 1 75 75 VAL C C 13 177.227 0.005 . . . . . . A 75 VAL C . 30394 1 878 . 1 1 75 75 VAL CA C 13 66.711 0.000 . . . . . . A 75 VAL CA . 30394 1 879 . 1 1 75 75 VAL CB C 13 31.524 0.000 . . . . . . A 75 VAL CB . 30394 1 880 . 1 1 75 75 VAL CG1 C 13 21.784 0.000 . . . . . . A 75 VAL CG1 . 30394 1 881 . 1 1 75 75 VAL CG2 C 13 23.113 0.000 . . . . . . A 75 VAL CG2 . 30394 1 882 . 1 1 75 75 VAL N N 15 118.397 0.023 . . . . . . A 75 VAL N . 30394 1 883 . 1 1 76 76 LYS H H 1 8.076 0.004 . . . . . . A 76 LYS H . 30394 1 884 . 1 1 76 76 LYS HA H 1 3.701 0.000 . . . . . . A 76 LYS HA . 30394 1 885 . 1 1 76 76 LYS HB2 H 1 1.843 0.000 . . . . . . A 76 LYS HB2 . 30394 1 886 . 1 1 76 76 LYS HB3 H 1 1.912 0.000 . . . . . . A 76 LYS HB3 . 30394 1 887 . 1 1 76 76 LYS HG2 H 1 1.390 0.000 . . . . . . A 76 LYS HG2 . 30394 1 888 . 1 1 76 76 LYS HD2 H 1 1.619 0.000 . . . . . . A 76 LYS HD2 . 30394 1 889 . 1 1 76 76 LYS HE2 H 1 2.859 0.000 . . . . . . A 76 LYS HE2 . 30394 1 890 . 1 1 76 76 LYS C C 13 177.694 0.049 . . . . . . A 76 LYS C . 30394 1 891 . 1 1 76 76 LYS CA C 13 60.566 0.000 . . . . . . A 76 LYS CA . 30394 1 892 . 1 1 76 76 LYS CB C 13 32.367 0.000 . . . . . . A 76 LYS CB . 30394 1 893 . 1 1 76 76 LYS CG C 13 25.481 0.000 . . . . . . A 76 LYS CG . 30394 1 894 . 1 1 76 76 LYS CD C 13 29.631 0.000 . . . . . . A 76 LYS CD . 30394 1 895 . 1 1 76 76 LYS CE C 13 42.132 0.000 . . . . . . A 76 LYS CE . 30394 1 896 . 1 1 76 76 LYS N N 15 118.090 0.022 . . . . . . A 76 LYS N . 30394 1 897 . 1 1 77 77 LYS H H 1 7.648 0.002 . . . . . . A 77 LYS H . 30394 1 898 . 1 1 77 77 LYS HA H 1 4.043 0.000 . . . . . . A 77 LYS HA . 30394 1 899 . 1 1 77 77 LYS HB2 H 1 1.977 0.000 . . . . . . A 77 LYS HB2 . 30394 1 900 . 1 1 77 77 LYS HG2 H 1 1.602 0.000 . . . . . . A 77 LYS HG2 . 30394 1 901 . 1 1 77 77 LYS HD2 H 1 1.732 0.000 . . . . . . A 77 LYS HD2 . 30394 1 902 . 1 1 77 77 LYS HE2 H 1 2.997 0.000 . . . . . . A 77 LYS HE2 . 30394 1 903 . 1 1 77 77 LYS C C 13 179.212 0.001 . . . . . . A 77 LYS C . 30394 1 904 . 1 1 77 77 LYS CA C 13 59.476 0.000 . . . . . . A 77 LYS CA . 30394 1 905 . 1 1 77 77 LYS CB C 13 32.445 0.000 . . . . . . A 77 LYS CB . 30394 1 906 . 1 1 77 77 LYS CG C 13 25.344 0.000 . . . . . . A 77 LYS CG . 30394 1 907 . 1 1 77 77 LYS CD C 13 29.447 0.000 . . . . . . A 77 LYS CD . 30394 1 908 . 1 1 77 77 LYS CE C 13 42.095 0.000 . . . . . . A 77 LYS CE . 30394 1 909 . 1 1 77 77 LYS N N 15 117.594 0.022 . . . . . . A 77 LYS N . 30394 1 910 . 1 1 78 78 ILE H H 1 7.801 0.003 . . . . . . A 78 ILE H . 30394 1 911 . 1 1 78 78 ILE HA H 1 3.747 0.000 . . . . . . A 78 ILE HA . 30394 1 912 . 1 1 78 78 ILE HB H 1 1.804 0.000 . . . . . . A 78 ILE HB . 30394 1 913 . 1 1 78 78 ILE HG12 H 1 1.161 0.000 . . . . . . A 78 ILE HG12 . 30394 1 914 . 1 1 78 78 ILE HG13 H 1 1.819 0.000 . . . . . . A 78 ILE HG13 . 30394 1 915 . 1 1 78 78 ILE HG21 H 1 0.838 0.000 . . . . . . A 78 ILE HG21 . 30394 1 916 . 1 1 78 78 ILE HG22 H 1 0.838 0.000 . . . . . . A 78 ILE HG22 . 30394 1 917 . 1 1 78 78 ILE HG23 H 1 0.838 0.000 . . . . . . A 78 ILE HG23 . 30394 1 918 . 1 1 78 78 ILE HD11 H 1 0.888 0.000 . . . . . . A 78 ILE HD11 . 30394 1 919 . 1 1 78 78 ILE HD12 H 1 0.888 0.000 . . . . . . A 78 ILE HD12 . 30394 1 920 . 1 1 78 78 ILE HD13 H 1 0.888 0.000 . . . . . . A 78 ILE HD13 . 30394 1 921 . 1 1 78 78 ILE C C 13 178.331 0.000 . . . . . . A 78 ILE C . 30394 1 922 . 1 1 78 78 ILE CA C 13 65.061 0.000 . . . . . . A 78 ILE CA . 30394 1 923 . 1 1 78 78 ILE CB C 13 38.593 0.000 . . . . . . A 78 ILE CB . 30394 1 924 . 1 1 78 78 ILE CG1 C 13 29.311 0.040 . . . . . . A 78 ILE CG1 . 30394 1 925 . 1 1 78 78 ILE CG2 C 13 17.062 0.000 . . . . . . A 78 ILE CG2 . 30394 1 926 . 1 1 78 78 ILE CD1 C 13 14.722 0.000 . . . . . . A 78 ILE CD1 . 30394 1 927 . 1 1 78 78 ILE N N 15 118.635 0.029 . . . . . . A 78 ILE N . 30394 1 928 . 1 1 79 79 ILE H H 1 8.292 0.002 . . . . . . A 79 ILE H . 30394 1 929 . 1 1 79 79 ILE HA H 1 3.839 0.000 . . . . . . A 79 ILE HA . 30394 1 930 . 1 1 79 79 ILE HB H 1 1.877 0.000 . . . . . . A 79 ILE HB . 30394 1 931 . 1 1 79 79 ILE HG12 H 1 1.337 0.000 . . . . . . A 79 ILE HG12 . 30394 1 932 . 1 1 79 79 ILE HG13 H 1 1.588 0.000 . . . . . . A 79 ILE HG13 . 30394 1 933 . 1 1 79 79 ILE HG21 H 1 0.824 0.000 . . . . . . A 79 ILE HG21 . 30394 1 934 . 1 1 79 79 ILE HG22 H 1 0.824 0.000 . . . . . . A 79 ILE HG22 . 30394 1 935 . 1 1 79 79 ILE HG23 H 1 0.824 0.000 . . . . . . A 79 ILE HG23 . 30394 1 936 . 1 1 79 79 ILE HD11 H 1 0.713 0.000 . . . . . . A 79 ILE HD11 . 30394 1 937 . 1 1 79 79 ILE HD12 H 1 0.713 0.000 . . . . . . A 79 ILE HD12 . 30394 1 938 . 1 1 79 79 ILE HD13 H 1 0.713 0.000 . . . . . . A 79 ILE HD13 . 30394 1 939 . 1 1 79 79 ILE C C 13 177.852 0.024 . . . . . . A 79 ILE C . 30394 1 940 . 1 1 79 79 ILE CA C 13 63.693 0.000 . . . . . . A 79 ILE CA . 30394 1 941 . 1 1 79 79 ILE CB C 13 37.098 0.000 . . . . . . A 79 ILE CB . 30394 1 942 . 1 1 79 79 ILE CG1 C 13 29.205 0.005 . . . . . . A 79 ILE CG1 . 30394 1 943 . 1 1 79 79 ILE CG2 C 13 18.535 0.000 . . . . . . A 79 ILE CG2 . 30394 1 944 . 1 1 79 79 ILE CD1 C 13 13.362 0.000 . . . . . . A 79 ILE CD1 . 30394 1 945 . 1 1 79 79 ILE N N 15 118.520 0.002 . . . . . . A 79 ILE N . 30394 1 946 . 1 1 80 80 ALA H H 1 8.348 0.002 . . . . . . A 80 ALA H . 30394 1 947 . 1 1 80 80 ALA HA H 1 4.328 0.000 . . . . . . A 80 ALA HA . 30394 1 948 . 1 1 80 80 ALA HB1 H 1 1.541 0.000 . . . . . . A 80 ALA HB1 . 30394 1 949 . 1 1 80 80 ALA HB2 H 1 1.541 0.000 . . . . . . A 80 ALA HB2 . 30394 1 950 . 1 1 80 80 ALA HB3 H 1 1.541 0.000 . . . . . . A 80 ALA HB3 . 30394 1 951 . 1 1 80 80 ALA C C 13 180.568 0.005 . . . . . . A 80 ALA C . 30394 1 952 . 1 1 80 80 ALA CA C 13 54.808 0.000 . . . . . . A 80 ALA CA . 30394 1 953 . 1 1 80 80 ALA CB C 13 18.365 0.000 . . . . . . A 80 ALA CB . 30394 1 954 . 1 1 80 80 ALA N N 15 122.547 0.037 . . . . . . A 80 ALA N . 30394 1 955 . 1 1 81 81 ARG H H 1 7.543 0.002 . . . . . . A 81 ARG H . 30394 1 956 . 1 1 81 81 ARG HA H 1 4.199 0.000 . . . . . . A 81 ARG HA . 30394 1 957 . 1 1 81 81 ARG HB2 H 1 1.985 0.000 . . . . . . A 81 ARG HB2 . 30394 1 958 . 1 1 81 81 ARG HB3 H 1 2.026 0.000 . . . . . . A 81 ARG HB3 . 30394 1 959 . 1 1 81 81 ARG HG2 H 1 1.794 0.000 . . . . . . A 81 ARG HG2 . 30394 1 960 . 1 1 81 81 ARG HD2 H 1 3.260 0.000 . . . . . . A 81 ARG HD2 . 30394 1 961 . 1 1 81 81 ARG HE H 1 7.458 0.000 . . . . . . A 81 ARG HE . 30394 1 962 . 1 1 81 81 ARG C C 13 177.111 0.003 . . . . . . A 81 ARG C . 30394 1 963 . 1 1 81 81 ARG CA C 13 58.168 0.000 . . . . . . A 81 ARG CA . 30394 1 964 . 1 1 81 81 ARG CB C 13 30.118 0.005 . . . . . . A 81 ARG CB . 30394 1 965 . 1 1 81 81 ARG CG C 13 27.338 0.000 . . . . . . A 81 ARG CG . 30394 1 966 . 1 1 81 81 ARG CD C 13 43.701 0.000 . . . . . . A 81 ARG CD . 30394 1 967 . 1 1 81 81 ARG N N 15 117.813 0.015 . . . . . . A 81 ARG N . 30394 1 968 . 1 1 81 81 ARG NE N 15 84.976 0.000 . . . . . . A 81 ARG NE . 30394 1 969 . 1 1 82 82 ALA H H 1 7.772 0.002 . . . . . . A 82 ALA H . 30394 1 970 . 1 1 82 82 ALA HA H 1 4.402 0.000 . . . . . . A 82 ALA HA . 30394 1 971 . 1 1 82 82 ALA HB1 H 1 1.601 0.000 . . . . . . A 82 ALA HB1 . 30394 1 972 . 1 1 82 82 ALA HB2 H 1 1.601 0.000 . . . . . . A 82 ALA HB2 . 30394 1 973 . 1 1 82 82 ALA HB3 H 1 1.601 0.000 . . . . . . A 82 ALA HB3 . 30394 1 974 . 1 1 82 82 ALA C C 13 178.111 0.022 . . . . . . A 82 ALA C . 30394 1 975 . 1 1 82 82 ALA CA C 13 53.007 0.000 . . . . . . A 82 ALA CA . 30394 1 976 . 1 1 82 82 ALA CB C 13 19.278 0.000 . . . . . . A 82 ALA CB . 30394 1 977 . 1 1 82 82 ALA N N 15 120.665 0.021 . . . . . . A 82 ALA N . 30394 1 978 . 1 1 83 83 GLY H H 1 7.851 0.003 . . . . . . A 83 GLY H . 30394 1 979 . 1 1 83 83 GLY HA2 H 1 4.238 0.000 . . . . . . A 83 GLY HA2 . 30394 1 980 . 1 1 83 83 GLY HA3 H 1 3.782 0.000 . . . . . . A 83 GLY HA3 . 30394 1 981 . 1 1 83 83 GLY C C 13 174.131 0.008 . . . . . . A 83 GLY C . 30394 1 982 . 1 1 83 83 GLY CA C 13 45.570 0.001 . . . . . . A 83 GLY CA . 30394 1 983 . 1 1 83 83 GLY N N 15 104.575 0.014 . . . . . . A 83 GLY N . 30394 1 984 . 1 1 84 84 ALA H H 1 7.308 0.003 . . . . . . A 84 ALA H . 30394 1 985 . 1 1 84 84 ALA HA H 1 4.548 0.000 . . . . . . A 84 ALA HA . 30394 1 986 . 1 1 84 84 ALA HB1 H 1 1.146 0.000 . . . . . . A 84 ALA HB1 . 30394 1 987 . 1 1 84 84 ALA HB2 H 1 1.146 0.000 . . . . . . A 84 ALA HB2 . 30394 1 988 . 1 1 84 84 ALA HB3 H 1 1.146 0.000 . . . . . . A 84 ALA HB3 . 30394 1 989 . 1 1 84 84 ALA C C 13 177.319 0.017 . . . . . . A 84 ALA C . 30394 1 990 . 1 1 84 84 ALA CA C 13 51.382 0.000 . . . . . . A 84 ALA CA . 30394 1 991 . 1 1 84 84 ALA CB C 13 19.817 0.000 . . . . . . A 84 ALA CB . 30394 1 992 . 1 1 84 84 ALA N N 15 122.160 0.012 . . . . . . A 84 ALA N . 30394 1 993 . 1 1 85 85 LYS H H 1 8.080 0.002 . . . . . . A 85 LYS H . 30394 1 994 . 1 1 85 85 LYS HA H 1 4.439 0.000 . . . . . . A 85 LYS HA . 30394 1 995 . 1 1 85 85 LYS HB2 H 1 1.964 0.000 . . . . . . A 85 LYS HB2 . 30394 1 996 . 1 1 85 85 LYS HG2 H 1 1.466 0.000 . . . . . . A 85 LYS HG2 . 30394 1 997 . 1 1 85 85 LYS HG3 H 1 1.577 0.000 . . . . . . A 85 LYS HG3 . 30394 1 998 . 1 1 85 85 LYS HD2 H 1 1.777 0.000 . . . . . . A 85 LYS HD2 . 30394 1 999 . 1 1 85 85 LYS HE2 H 1 2.999 0.000 . . . . . . A 85 LYS HE2 . 30394 1 1000 . 1 1 85 85 LYS C C 13 175.406 0.013 . . . . . . A 85 LYS C . 30394 1 1001 . 1 1 85 85 LYS CA C 13 56.726 0.000 . . . . . . A 85 LYS CA . 30394 1 1002 . 1 1 85 85 LYS CB C 13 32.878 0.000 . . . . . . A 85 LYS CB . 30394 1 1003 . 1 1 85 85 LYS CG C 13 24.934 0.015 . . . . . . A 85 LYS CG . 30394 1 1004 . 1 1 85 85 LYS CD C 13 29.197 0.000 . . . . . . A 85 LYS CD . 30394 1 1005 . 1 1 85 85 LYS CE C 13 42.124 0.000 . . . . . . A 85 LYS CE . 30394 1 1006 . 1 1 85 85 LYS N N 15 122.920 0.014 . . . . . . A 85 LYS N . 30394 1 1007 . 1 1 86 86 THR H H 1 8.414 0.001 . . . . . . A 86 THR H . 30394 1 1008 . 1 1 86 86 THR HA H 1 5.505 0.000 . . . . . . A 86 THR HA . 30394 1 1009 . 1 1 86 86 THR HB H 1 3.928 0.000 . . . . . . A 86 THR HB . 30394 1 1010 . 1 1 86 86 THR HG21 H 1 1.062 0.000 . . . . . . A 86 THR HG21 . 30394 1 1011 . 1 1 86 86 THR HG22 H 1 1.062 0.000 . . . . . . A 86 THR HG22 . 30394 1 1012 . 1 1 86 86 THR HG23 H 1 1.062 0.000 . . . . . . A 86 THR HG23 . 30394 1 1013 . 1 1 86 86 THR C C 13 174.486 0.000 . . . . . . A 86 THR C . 30394 1 1014 . 1 1 86 86 THR CA C 13 60.960 0.000 . . . . . . A 86 THR CA . 30394 1 1015 . 1 1 86 86 THR CB C 13 70.770 0.000 . . . . . . A 86 THR CB . 30394 1 1016 . 1 1 86 86 THR CG2 C 13 21.936 0.000 . . . . . . A 86 THR CG2 . 30394 1 1017 . 1 1 86 86 THR N N 15 119.085 0.000 . . . . . . A 86 THR N . 30394 1 1018 . 1 1 87 87 ILE H H 1 8.693 0.003 . . . . . . A 87 ILE H . 30394 1 1019 . 1 1 87 87 ILE HA H 1 4.538 0.000 . . . . . . A 87 ILE HA . 30394 1 1020 . 1 1 87 87 ILE HB H 1 1.742 0.000 . . . . . . A 87 ILE HB . 30394 1 1021 . 1 1 87 87 ILE HG12 H 1 1.114 0.000 . . . . . . A 87 ILE HG12 . 30394 1 1022 . 1 1 87 87 ILE HG13 H 1 1.413 0.000 . . . . . . A 87 ILE HG13 . 30394 1 1023 . 1 1 87 87 ILE HG21 H 1 0.906 0.000 . . . . . . A 87 ILE HG21 . 30394 1 1024 . 1 1 87 87 ILE HG22 H 1 0.906 0.000 . . . . . . A 87 ILE HG22 . 30394 1 1025 . 1 1 87 87 ILE HG23 H 1 0.906 0.000 . . . . . . A 87 ILE HG23 . 30394 1 1026 . 1 1 87 87 ILE HD11 H 1 0.827 0.000 . . . . . . A 87 ILE HD11 . 30394 1 1027 . 1 1 87 87 ILE HD12 H 1 0.827 0.000 . . . . . . A 87 ILE HD12 . 30394 1 1028 . 1 1 87 87 ILE HD13 H 1 0.827 0.000 . . . . . . A 87 ILE HD13 . 30394 1 1029 . 1 1 87 87 ILE C C 13 173.976 0.057 . . . . . . A 87 ILE C . 30394 1 1030 . 1 1 87 87 ILE CA C 13 59.749 0.000 . . . . . . A 87 ILE CA . 30394 1 1031 . 1 1 87 87 ILE CB C 13 41.898 0.000 . . . . . . A 87 ILE CB . 30394 1 1032 . 1 1 87 87 ILE CG1 C 13 27.361 0.004 . . . . . . A 87 ILE CG1 . 30394 1 1033 . 1 1 87 87 ILE CG2 C 13 17.921 0.000 . . . . . . A 87 ILE CG2 . 30394 1 1034 . 1 1 87 87 ILE CD1 C 13 13.901 0.000 . . . . . . A 87 ILE CD1 . 30394 1 1035 . 1 1 87 87 ILE N N 15 123.735 0.017 . . . . . . A 87 ILE N . 30394 1 1036 . 1 1 88 88 GLU H H 1 8.725 0.003 . . . . . . A 88 GLU H . 30394 1 1037 . 1 1 88 88 GLU HA H 1 5.236 0.000 . . . . . . A 88 GLU HA . 30394 1 1038 . 1 1 88 88 GLU HB2 H 1 1.902 0.000 . . . . . . A 88 GLU HB2 . 30394 1 1039 . 1 1 88 88 GLU HB3 H 1 2.078 0.000 . . . . . . A 88 GLU HB3 . 30394 1 1040 . 1 1 88 88 GLU HG2 H 1 2.116 0.000 . . . . . . A 88 GLU HG2 . 30394 1 1041 . 1 1 88 88 GLU C C 13 175.653 0.026 . . . . . . A 88 GLU C . 30394 1 1042 . 1 1 88 88 GLU CA C 13 55.343 0.000 . . . . . . A 88 GLU CA . 30394 1 1043 . 1 1 88 88 GLU CB C 13 32.476 0.002 . . . . . . A 88 GLU CB . 30394 1 1044 . 1 1 88 88 GLU CG C 13 37.302 0.000 . . . . . . A 88 GLU CG . 30394 1 1045 . 1 1 88 88 GLU N N 15 125.601 0.011 . . . . . . A 88 GLU N . 30394 1 1046 . 1 1 89 89 VAL H H 1 8.852 0.004 . . . . . . A 89 VAL H . 30394 1 1047 . 1 1 89 89 VAL HA H 1 4.792 0.000 . . . . . . A 89 VAL HA . 30394 1 1048 . 1 1 89 89 VAL HB H 1 2.246 0.000 . . . . . . A 89 VAL HB . 30394 1 1049 . 1 1 89 89 VAL HG11 H 1 0.809 0.000 . . . . . . A 89 VAL HG11 . 30394 1 1050 . 1 1 89 89 VAL HG12 H 1 0.809 0.000 . . . . . . A 89 VAL HG12 . 30394 1 1051 . 1 1 89 89 VAL HG13 H 1 0.809 0.000 . . . . . . A 89 VAL HG13 . 30394 1 1052 . 1 1 89 89 VAL HG21 H 1 0.687 0.000 . . . . . . A 89 VAL HG21 . 30394 1 1053 . 1 1 89 89 VAL HG22 H 1 0.687 0.000 . . . . . . A 89 VAL HG22 . 30394 1 1054 . 1 1 89 89 VAL HG23 H 1 0.687 0.000 . . . . . . A 89 VAL HG23 . 30394 1 1055 . 1 1 89 89 VAL C C 13 175.510 0.000 . . . . . . A 89 VAL C . 30394 1 1056 . 1 1 89 89 VAL CA C 13 59.396 0.000 . . . . . . A 89 VAL CA . 30394 1 1057 . 1 1 89 89 VAL CB C 13 35.902 0.000 . . . . . . A 89 VAL CB . 30394 1 1058 . 1 1 89 89 VAL CG1 C 13 22.208 0.000 . . . . . . A 89 VAL CG1 . 30394 1 1059 . 1 1 89 89 VAL CG2 C 13 20.892 0.000 . . . . . . A 89 VAL CG2 . 30394 1 1060 . 1 1 89 89 VAL N N 15 117.850 0.065 . . . . . . A 89 VAL N . 30394 1 1061 . 1 1 90 90 THR H H 1 8.920 0.000 . . . . . . A 90 THR H . 30394 1 1062 . 1 1 90 90 THR HA H 1 4.978 0.000 . . . . . . A 90 THR HA . 30394 1 1063 . 1 1 90 90 THR HG21 H 1 1.258 0.000 . . . . . . A 90 THR HG21 . 30394 1 1064 . 1 1 90 90 THR HG22 H 1 1.258 0.000 . . . . . . A 90 THR HG22 . 30394 1 1065 . 1 1 90 90 THR HG23 H 1 1.258 0.000 . . . . . . A 90 THR HG23 . 30394 1 1066 . 1 1 90 90 THR CA C 13 62.377 0.000 . . . . . . A 90 THR CA . 30394 1 1067 . 1 1 90 90 THR CG2 C 13 22.088 0.000 . . . . . . A 90 THR CG2 . 30394 1 1068 . 1 1 90 90 THR N N 15 112.734 0.000 . . . . . . A 90 THR N . 30394 1 1069 . 1 1 91 91 THR H H 1 7.599 0.000 . . . . . . A 91 THR H . 30394 1 1070 . 1 1 91 91 THR HG21 H 1 1.261 0.000 . . . . . . A 91 THR HG21 . 30394 1 1071 . 1 1 91 91 THR HG22 H 1 1.261 0.000 . . . . . . A 91 THR HG22 . 30394 1 1072 . 1 1 91 91 THR HG23 H 1 1.261 0.000 . . . . . . A 91 THR HG23 . 30394 1 1073 . 1 1 91 91 THR CG2 C 13 22.088 0.000 . . . . . . A 91 THR CG2 . 30394 1 1074 . 1 1 91 91 THR N N 15 109.870 0.000 . . . . . . A 91 THR N . 30394 1 1075 . 1 1 95 95 LEU HA H 1 3.933 0.000 . . . . . . A 95 LEU HA . 30394 1 1076 . 1 1 95 95 LEU HB2 H 1 2.037 0.000 . . . . . . A 95 LEU HB2 . 30394 1 1077 . 1 1 95 95 LEU HG H 1 1.493 0.000 . . . . . . A 95 LEU HG . 30394 1 1078 . 1 1 95 95 LEU HD11 H 1 0.830 0.000 . . . . . . A 95 LEU HD11 . 30394 1 1079 . 1 1 95 95 LEU HD12 H 1 0.830 0.000 . . . . . . A 95 LEU HD12 . 30394 1 1080 . 1 1 95 95 LEU HD13 H 1 0.830 0.000 . . . . . . A 95 LEU HD13 . 30394 1 1081 . 1 1 95 95 LEU HD21 H 1 0.890 0.000 . . . . . . A 95 LEU HD21 . 30394 1 1082 . 1 1 95 95 LEU HD22 H 1 0.890 0.000 . . . . . . A 95 LEU HD22 . 30394 1 1083 . 1 1 95 95 LEU HD23 H 1 0.890 0.000 . . . . . . A 95 LEU HD23 . 30394 1 1084 . 1 1 95 95 LEU CA C 13 59.160 0.000 . . . . . . A 95 LEU CA . 30394 1 1085 . 1 1 95 95 LEU CB C 13 41.713 0.000 . . . . . . A 95 LEU CB . 30394 1 1086 . 1 1 95 95 LEU CG C 13 27.423 0.000 . . . . . . A 95 LEU CG . 30394 1 1087 . 1 1 95 95 LEU CD1 C 13 24.752 0.000 . . . . . . A 95 LEU CD1 . 30394 1 1088 . 1 1 95 95 LEU CD2 C 13 26.020 0.000 . . . . . . A 95 LEU CD2 . 30394 1 1089 . 1 1 96 96 ARG HA H 1 3.788 0.000 . . . . . . A 96 ARG HA . 30394 1 1090 . 1 1 96 96 ARG HB2 H 1 1.968 0.000 . . . . . . A 96 ARG HB2 . 30394 1 1091 . 1 1 96 96 ARG HB3 H 1 2.035 0.000 . . . . . . A 96 ARG HB3 . 30394 1 1092 . 1 1 96 96 ARG HD2 H 1 3.381 0.000 . . . . . . A 96 ARG HD2 . 30394 1 1093 . 1 1 96 96 ARG HD3 H 1 3.298 0.000 . . . . . . A 96 ARG HD3 . 30394 1 1094 . 1 1 96 96 ARG CA C 13 60.417 0.000 . . . . . . A 96 ARG CA . 30394 1 1095 . 1 1 96 96 ARG CB C 13 30.172 0.018 . . . . . . A 96 ARG CB . 30394 1 1096 . 1 1 96 96 ARG CD C 13 43.729 0.025 . . . . . . A 96 ARG CD . 30394 1 1097 . 1 1 98 98 ALA H H 1 8.092 0.000 . . . . . . A 98 ALA H . 30394 1 1098 . 1 1 98 98 ALA HA H 1 4.185 0.000 . . . . . . A 98 ALA HA . 30394 1 1099 . 1 1 98 98 ALA HB1 H 1 1.479 0.000 . . . . . . A 98 ALA HB1 . 30394 1 1100 . 1 1 98 98 ALA HB2 H 1 1.479 0.000 . . . . . . A 98 ALA HB2 . 30394 1 1101 . 1 1 98 98 ALA HB3 H 1 1.479 0.000 . . . . . . A 98 ALA HB3 . 30394 1 1102 . 1 1 98 98 ALA C C 13 181.076 0.000 . . . . . . A 98 ALA C . 30394 1 1103 . 1 1 98 98 ALA CA C 13 55.187 0.000 . . . . . . A 98 ALA CA . 30394 1 1104 . 1 1 98 98 ALA CB C 13 18.774 0.000 . . . . . . A 98 ALA CB . 30394 1 1105 . 1 1 98 98 ALA N N 15 122.239 0.000 . . . . . . A 98 ALA N . 30394 1 1106 . 1 1 99 99 VAL H H 1 8.321 0.003 . . . . . . A 99 VAL H . 30394 1 1107 . 1 1 99 99 VAL HA H 1 3.481 0.000 . . . . . . A 99 VAL HA . 30394 1 1108 . 1 1 99 99 VAL HB H 1 2.126 0.000 . . . . . . A 99 VAL HB . 30394 1 1109 . 1 1 99 99 VAL HG11 H 1 0.906 0.000 . . . . . . A 99 VAL HG11 . 30394 1 1110 . 1 1 99 99 VAL HG12 H 1 0.906 0.000 . . . . . . A 99 VAL HG12 . 30394 1 1111 . 1 1 99 99 VAL HG13 H 1 0.906 0.000 . . . . . . A 99 VAL HG13 . 30394 1 1112 . 1 1 99 99 VAL HG21 H 1 0.971 0.000 . . . . . . A 99 VAL HG21 . 30394 1 1113 . 1 1 99 99 VAL HG22 H 1 0.971 0.000 . . . . . . A 99 VAL HG22 . 30394 1 1114 . 1 1 99 99 VAL HG23 H 1 0.971 0.000 . . . . . . A 99 VAL HG23 . 30394 1 1115 . 1 1 99 99 VAL C C 13 177.115 0.007 . . . . . . A 99 VAL C . 30394 1 1116 . 1 1 99 99 VAL CA C 13 66.829 0.000 . . . . . . A 99 VAL CA . 30394 1 1117 . 1 1 99 99 VAL CB C 13 31.403 0.000 . . . . . . A 99 VAL CB . 30394 1 1118 . 1 1 99 99 VAL CG1 C 13 21.812 0.000 . . . . . . A 99 VAL CG1 . 30394 1 1119 . 1 1 99 99 VAL CG2 C 13 23.946 0.000 . . . . . . A 99 VAL CG2 . 30394 1 1120 . 1 1 99 99 VAL N N 15 117.368 0.020 . . . . . . A 99 VAL N . 30394 1 1121 . 1 1 100 100 ALA H H 1 7.899 0.003 . . . . . . A 100 ALA H . 30394 1 1122 . 1 1 100 100 ALA HA H 1 4.147 0.000 . . . . . . A 100 ALA HA . 30394 1 1123 . 1 1 100 100 ALA HB1 H 1 1.556 0.000 . . . . . . A 100 ALA HB1 . 30394 1 1124 . 1 1 100 100 ALA HB2 H 1 1.556 0.000 . . . . . . A 100 ALA HB2 . 30394 1 1125 . 1 1 100 100 ALA HB3 H 1 1.556 0.000 . . . . . . A 100 ALA HB3 . 30394 1 1126 . 1 1 100 100 ALA C C 13 181.252 0.013 . . . . . . A 100 ALA C . 30394 1 1127 . 1 1 100 100 ALA CA C 13 55.578 0.000 . . . . . . A 100 ALA CA . 30394 1 1128 . 1 1 100 100 ALA CB C 13 18.153 0.000 . . . . . . A 100 ALA CB . 30394 1 1129 . 1 1 100 100 ALA N N 15 122.313 0.014 . . . . . . A 100 ALA N . 30394 1 1130 . 1 1 101 101 LYS H H 1 8.074 0.003 . . . . . . A 101 LYS H . 30394 1 1131 . 1 1 101 101 LYS HA H 1 4.131 0.000 . . . . . . A 101 LYS HA . 30394 1 1132 . 1 1 101 101 LYS HB2 H 1 1.963 0.000 . . . . . . A 101 LYS HB2 . 30394 1 1133 . 1 1 101 101 LYS HG2 H 1 1.453 0.000 . . . . . . A 101 LYS HG2 . 30394 1 1134 . 1 1 101 101 LYS HD2 H 1 1.729 0.000 . . . . . . A 101 LYS HD2 . 30394 1 1135 . 1 1 101 101 LYS HE2 H 1 2.991 0.000 . . . . . . A 101 LYS HE2 . 30394 1 1136 . 1 1 101 101 LYS C C 13 179.189 0.000 . . . . . . A 101 LYS C . 30394 1 1137 . 1 1 101 101 LYS CA C 13 59.142 0.000 . . . . . . A 101 LYS CA . 30394 1 1138 . 1 1 101 101 LYS CB C 13 32.321 0.000 . . . . . . A 101 LYS CB . 30394 1 1139 . 1 1 101 101 LYS CG C 13 25.305 0.000 . . . . . . A 101 LYS CG . 30394 1 1140 . 1 1 101 101 LYS CD C 13 29.258 0.000 . . . . . . A 101 LYS CD . 30394 1 1141 . 1 1 101 101 LYS CE C 13 42.078 0.000 . . . . . . A 101 LYS CE . 30394 1 1142 . 1 1 101 101 LYS N N 15 119.006 0.010 . . . . . . A 101 LYS N . 30394 1 1143 . 1 1 102 102 ALA H H 1 7.858 0.002 . . . . . . A 102 ALA H . 30394 1 1144 . 1 1 102 102 ALA HA H 1 4.242 0.000 . . . . . . A 102 ALA HA . 30394 1 1145 . 1 1 102 102 ALA HB1 H 1 1.454 0.000 . . . . . . A 102 ALA HB1 . 30394 1 1146 . 1 1 102 102 ALA HB2 H 1 1.454 0.000 . . . . . . A 102 ALA HB2 . 30394 1 1147 . 1 1 102 102 ALA HB3 H 1 1.454 0.000 . . . . . . A 102 ALA HB3 . 30394 1 1148 . 1 1 102 102 ALA C C 13 179.675 0.037 . . . . . . A 102 ALA C . 30394 1 1149 . 1 1 102 102 ALA CA C 13 54.781 0.000 . . . . . . A 102 ALA CA . 30394 1 1150 . 1 1 102 102 ALA CB C 13 18.386 0.000 . . . . . . A 102 ALA CB . 30394 1 1151 . 1 1 102 102 ALA N N 15 122.306 0.014 . . . . . . A 102 ALA N . 30394 1 1152 . 1 1 103 103 ARG H H 1 8.589 0.002 . . . . . . A 103 ARG H . 30394 1 1153 . 1 1 103 103 ARG HA H 1 4.105 0.000 . . . . . . A 103 ARG HA . 30394 1 1154 . 1 1 103 103 ARG HB2 H 1 1.912 0.000 . . . . . . A 103 ARG HB2 . 30394 1 1155 . 1 1 103 103 ARG HG2 H 1 1.828 0.000 . . . . . . A 103 ARG HG2 . 30394 1 1156 . 1 1 103 103 ARG HD2 H 1 3.197 0.000 . . . . . . A 103 ARG HD2 . 30394 1 1157 . 1 1 103 103 ARG C C 13 178.806 0.017 . . . . . . A 103 ARG C . 30394 1 1158 . 1 1 103 103 ARG CA C 13 59.343 0.000 . . . . . . A 103 ARG CA . 30394 1 1159 . 1 1 103 103 ARG CB C 13 30.744 0.000 . . . . . . A 103 ARG CB . 30394 1 1160 . 1 1 103 103 ARG CG C 13 28.072 0.000 . . . . . . A 103 ARG CG . 30394 1 1161 . 1 1 103 103 ARG CD C 13 43.583 0.000 . . . . . . A 103 ARG CD . 30394 1 1162 . 1 1 103 103 ARG N N 15 117.955 0.015 . . . . . . A 103 ARG N . 30394 1 1163 . 1 1 104 104 GLY H H 1 8.054 0.002 . . . . . . A 104 GLY H . 30394 1 1164 . 1 1 104 104 GLY HA2 H 1 4.039 0.000 . . . . . . A 104 GLY HA2 . 30394 1 1165 . 1 1 104 104 GLY C C 13 175.738 0.000 . . . . . . A 104 GLY C . 30394 1 1166 . 1 1 104 104 GLY CA C 13 46.798 0.000 . . . . . . A 104 GLY CA . 30394 1 1167 . 1 1 104 104 GLY N N 15 106.980 0.016 . . . . . . A 104 GLY N . 30394 1 1168 . 1 1 105 105 SER H H 1 8.045 0.002 . . . . . . A 105 SER H . 30394 1 1169 . 1 1 105 105 SER HA H 1 4.466 0.000 . . . . . . A 105 SER HA . 30394 1 1170 . 1 1 105 105 SER HB2 H 1 3.987 0.000 . . . . . . A 105 SER HB2 . 30394 1 1171 . 1 1 105 105 SER C C 13 175.718 0.000 . . . . . . A 105 SER C . 30394 1 1172 . 1 1 105 105 SER CA C 13 60.351 0.000 . . . . . . A 105 SER CA . 30394 1 1173 . 1 1 105 105 SER CB C 13 63.460 0.000 . . . . . . A 105 SER CB . 30394 1 1174 . 1 1 105 105 SER N N 15 116.290 0.019 . . . . . . A 105 SER N . 30394 1 1175 . 1 1 106 106 TRP H H 1 8.343 0.003 . . . . . . A 106 TRP H . 30394 1 1176 . 1 1 106 106 TRP HA H 1 4.460 0.000 . . . . . . A 106 TRP HA . 30394 1 1177 . 1 1 106 106 TRP HB2 H 1 3.371 0.000 . . . . . . A 106 TRP HB2 . 30394 1 1178 . 1 1 106 106 TRP HB3 H 1 3.472 0.000 . . . . . . A 106 TRP HB3 . 30394 1 1179 . 1 1 106 106 TRP HD1 H 1 7.237 0.000 . . . . . . A 106 TRP HD1 . 30394 1 1180 . 1 1 106 106 TRP HE1 H 1 10.106 0.002 . . . . . . A 106 TRP HE1 . 30394 1 1181 . 1 1 106 106 TRP HE3 H 1 7.549 0.000 . . . . . . A 106 TRP HE3 . 30394 1 1182 . 1 1 106 106 TRP HZ2 H 1 7.300 0.000 . . . . . . A 106 TRP HZ2 . 30394 1 1183 . 1 1 106 106 TRP HZ3 H 1 7.068 0.000 . . . . . . A 106 TRP HZ3 . 30394 1 1184 . 1 1 106 106 TRP HH2 H 1 7.106 0.000 . . . . . . A 106 TRP HH2 . 30394 1 1185 . 1 1 106 106 TRP C C 13 177.988 0.068 . . . . . . A 106 TRP C . 30394 1 1186 . 1 1 106 106 TRP CA C 13 60.375 0.000 . . . . . . A 106 TRP CA . 30394 1 1187 . 1 1 106 106 TRP CB C 13 29.917 0.010 . . . . . . A 106 TRP CB . 30394 1 1188 . 1 1 106 106 TRP CD1 C 13 126.860 0.000 . . . . . . A 106 TRP CD1 . 30394 1 1189 . 1 1 106 106 TRP CE3 C 13 120.661 0.000 . . . . . . A 106 TRP CE3 . 30394 1 1190 . 1 1 106 106 TRP CZ2 C 13 114.398 0.000 . . . . . . A 106 TRP CZ2 . 30394 1 1191 . 1 1 106 106 TRP CZ3 C 13 121.962 0.000 . . . . . . A 106 TRP CZ3 . 30394 1 1192 . 1 1 106 106 TRP CH2 C 13 124.464 0.000 . . . . . . A 106 TRP CH2 . 30394 1 1193 . 1 1 106 106 TRP N N 15 129.732 0.000 . . . . . . A 106 TRP N . 30394 1 1194 . 1 1 106 106 TRP NE1 N 15 129.704 0.000 . . . . . . A 106 TRP NE1 . 30394 1 1195 . 1 1 107 107 SER H H 1 8.333 0.002 . . . . . . A 107 SER H . 30394 1 1196 . 1 1 107 107 SER HA H 1 4.210 0.000 . . . . . . A 107 SER HA . 30394 1 1197 . 1 1 107 107 SER HB2 H 1 3.978 0.000 . . . . . . A 107 SER HB2 . 30394 1 1198 . 1 1 107 107 SER HB3 H 1 4.047 0.000 . . . . . . A 107 SER HB3 . 30394 1 1199 . 1 1 107 107 SER C C 13 175.214 0.000 . . . . . . A 107 SER C . 30394 1 1200 . 1 1 107 107 SER CA C 13 60.558 0.000 . . . . . . A 107 SER CA . 30394 1 1201 . 1 1 107 107 SER CB C 13 63.515 0.004 . . . . . . A 107 SER CB . 30394 1 1202 . 1 1 107 107 SER N N 15 115.437 0.008 . . . . . . A 107 SER N . 30394 1 1203 . 1 1 108 108 LEU H H 1 7.788 0.002 . . . . . . A 108 LEU H . 30394 1 1204 . 1 1 108 108 LEU HA H 1 4.210 0.000 . . . . . . A 108 LEU HA . 30394 1 1205 . 1 1 108 108 LEU HB2 H 1 1.653 0.000 . . . . . . A 108 LEU HB2 . 30394 1 1206 . 1 1 108 108 LEU HB3 H 1 1.773 0.000 . . . . . . A 108 LEU HB3 . 30394 1 1207 . 1 1 108 108 LEU HG H 1 1.724 0.000 . . . . . . A 108 LEU HG . 30394 1 1208 . 1 1 108 108 LEU HD11 H 1 0.905 0.000 . . . . . . A 108 LEU HD11 . 30394 1 1209 . 1 1 108 108 LEU HD12 H 1 0.905 0.000 . . . . . . A 108 LEU HD12 . 30394 1 1210 . 1 1 108 108 LEU HD13 H 1 0.905 0.000 . . . . . . A 108 LEU HD13 . 30394 1 1211 . 1 1 108 108 LEU HD21 H 1 0.961 0.000 . . . . . . A 108 LEU HD21 . 30394 1 1212 . 1 1 108 108 LEU HD22 H 1 0.961 0.000 . . . . . . A 108 LEU HD22 . 30394 1 1213 . 1 1 108 108 LEU HD23 H 1 0.961 0.000 . . . . . . A 108 LEU HD23 . 30394 1 1214 . 1 1 108 108 LEU C C 13 178.160 0.024 . . . . . . A 108 LEU C . 30394 1 1215 . 1 1 108 108 LEU CA C 13 56.532 0.000 . . . . . . A 108 LEU CA . 30394 1 1216 . 1 1 108 108 LEU CB C 13 42.333 0.003 . . . . . . A 108 LEU CB . 30394 1 1217 . 1 1 108 108 LEU CG C 13 27.061 0.000 . . . . . . A 108 LEU CG . 30394 1 1218 . 1 1 108 108 LEU CD1 C 13 23.603 0.000 . . . . . . A 108 LEU CD1 . 30394 1 1219 . 1 1 108 108 LEU CD2 C 13 25.054 0.000 . . . . . . A 108 LEU CD2 . 30394 1 1220 . 1 1 108 108 LEU N N 15 122.109 0.021 . . . . . . A 108 LEU N . 30394 1 1221 . 1 1 109 109 GLU H H 1 7.850 0.002 . . . . . . A 109 GLU H . 30394 1 1222 . 1 1 109 109 GLU HA H 1 4.119 0.000 . . . . . . A 109 GLU HA . 30394 1 1223 . 1 1 109 109 GLU HB2 H 1 1.823 0.000 . . . . . . A 109 GLU HB2 . 30394 1 1224 . 1 1 109 109 GLU HG2 H 1 2.092 0.000 . . . . . . A 109 GLU HG2 . 30394 1 1225 . 1 1 109 109 GLU HG3 H 1 2.249 0.000 . . . . . . A 109 GLU HG3 . 30394 1 1226 . 1 1 109 109 GLU C C 13 176.486 0.026 . . . . . . A 109 GLU C . 30394 1 1227 . 1 1 109 109 GLU CA C 13 56.974 0.000 . . . . . . A 109 GLU CA . 30394 1 1228 . 1 1 109 109 GLU CB C 13 30.414 0.000 . . . . . . A 109 GLU CB . 30394 1 1229 . 1 1 109 109 GLU CG C 13 36.156 0.004 . . . . . . A 109 GLU CG . 30394 1 1230 . 1 1 109 109 GLU N N 15 118.605 0.015 . . . . . . A 109 GLU N . 30394 1 1231 . 1 1 110 110 HIS H H 1 7.994 0.002 . . . . . . A 110 HIS H . 30394 1 1232 . 1 1 110 110 HIS HA H 1 4.407 0.000 . . . . . . A 110 HIS HA . 30394 1 1233 . 1 1 110 110 HIS HB2 H 1 2.525 0.000 . . . . . . A 110 HIS HB2 . 30394 1 1234 . 1 1 110 110 HIS HB3 H 1 2.928 0.000 . . . . . . A 110 HIS HB3 . 30394 1 1235 . 1 1 110 110 HIS HD2 H 1 6.848 0.000 . . . . . . A 110 HIS HD2 . 30394 1 1236 . 1 1 110 110 HIS CA C 13 55.974 0.000 . . . . . . A 110 HIS CA . 30394 1 1237 . 1 1 110 110 HIS CB C 13 28.838 0.029 . . . . . . A 110 HIS CB . 30394 1 1238 . 1 1 110 110 HIS CD2 C 13 119.638 0.000 . . . . . . A 110 HIS CD2 . 30394 1 1239 . 1 1 110 110 HIS N N 15 117.583 0.013 . . . . . . A 110 HIS N . 30394 1 1240 . 1 1 111 111 HIS H H 1 8.175 0.001 . . . . . . A 111 HIS H . 30394 1 1241 . 1 1 111 111 HIS HA H 1 4.586 0.000 . . . . . . A 111 HIS HA . 30394 1 1242 . 1 1 111 111 HIS HB2 H 1 3.070 0.000 . . . . . . A 111 HIS HB2 . 30394 1 1243 . 1 1 111 111 HIS HB3 H 1 3.161 0.000 . . . . . . A 111 HIS HB3 . 30394 1 1244 . 1 1 111 111 HIS HD2 H 1 7.032 0.000 . . . . . . A 111 HIS HD2 . 30394 1 1245 . 1 1 111 111 HIS CA C 13 55.873 0.000 . . . . . . A 111 HIS CA . 30394 1 1246 . 1 1 111 111 HIS CB C 13 29.678 0.008 . . . . . . A 111 HIS CB . 30394 1 1247 . 1 1 111 111 HIS CD2 C 13 119.713 0.000 . . . . . . A 111 HIS CD2 . 30394 1 1248 . 1 1 111 111 HIS N N 15 119.206 0.005 . . . . . . A 111 HIS N . 30394 1 1249 . 1 1 112 112 HIS H H 1 8.471 0.002 . . . . . . A 112 HIS H . 30394 1 1250 . 1 1 112 112 HIS HA H 1 4.658 0.000 . . . . . . A 112 HIS HA . 30394 1 1251 . 1 1 112 112 HIS HB2 H 1 3.101 0.000 . . . . . . A 112 HIS HB2 . 30394 1 1252 . 1 1 112 112 HIS HB3 H 1 3.148 0.000 . . . . . . A 112 HIS HB3 . 30394 1 1253 . 1 1 112 112 HIS HD2 H 1 7.106 0.000 . . . . . . A 112 HIS HD2 . 30394 1 1254 . 1 1 112 112 HIS CA C 13 55.812 0.000 . . . . . . A 112 HIS CA . 30394 1 1255 . 1 1 112 112 HIS CB C 13 29.804 0.000 . . . . . . A 112 HIS CB . 30394 1 1256 . 1 1 112 112 HIS CD2 C 13 119.782 0.000 . . . . . . A 112 HIS CD2 . 30394 1 1257 . 1 1 112 112 HIS N N 15 119.773 0.026 . . . . . . A 112 HIS N . 30394 1 1258 . 1 1 113 113 HIS H H 1 8.570 0.004 . . . . . . A 113 HIS H . 30394 1 1259 . 1 1 113 113 HIS HD2 H 1 7.154 0.000 . . . . . . A 113 HIS HD2 . 30394 1 1260 . 1 1 113 113 HIS CD2 C 13 119.826 0.000 . . . . . . A 113 HIS CD2 . 30394 1 1261 . 1 1 113 113 HIS N N 15 120.435 0.006 . . . . . . A 113 HIS N . 30394 1 1262 . 1 1 114 114 HIS HA H 1 4.668 0.000 . . . . . . A 114 HIS HA . 30394 1 1263 . 1 1 114 114 HIS HB2 H 1 3.183 0.000 . . . . . . A 114 HIS HB2 . 30394 1 1264 . 1 1 114 114 HIS HB3 H 1 3.238 0.000 . . . . . . A 114 HIS HB3 . 30394 1 1265 . 1 1 114 114 HIS HD2 H 1 7.228 0.000 . . . . . . A 114 HIS HD2 . 30394 1 1266 . 1 1 114 114 HIS CA C 13 55.921 0.000 . . . . . . A 114 HIS CA . 30394 1 1267 . 1 1 114 114 HIS CB C 13 29.837 0.000 . . . . . . A 114 HIS CB . 30394 1 1268 . 1 1 114 114 HIS CD2 C 13 119.875 0.000 . . . . . . A 114 HIS CD2 . 30394 1 1269 . 1 1 115 115 HIS H H 1 8.269 0.002 . . . . . . A 115 HIS H . 30394 1 1270 . 1 1 115 115 HIS HA H 1 4.482 0.000 . . . . . . A 115 HIS HA . 30394 1 1271 . 1 1 115 115 HIS HB2 H 1 3.138 0.000 . . . . . . A 115 HIS HB2 . 30394 1 1272 . 1 1 115 115 HIS HB3 H 1 3.274 0.000 . . . . . . A 115 HIS HB3 . 30394 1 1273 . 1 1 115 115 HIS CA C 13 57.316 0.000 . . . . . . A 115 HIS CA . 30394 1 1274 . 1 1 115 115 HIS CB C 13 30.086 0.014 . . . . . . A 115 HIS CB . 30394 1 1275 . 1 1 115 115 HIS N N 15 125.265 0.013 . . . . . . A 115 HIS N . 30394 1 stop_ save_