data_30237 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30237 _Entry.Title ; NMR structure of monomeric human IRAK-M Death Domain R56D, Y61E mutant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-01-20 _Entry.Accession_date 2017-01-20 _Entry.Last_release_date 2017-02-13 _Entry.Original_release_date 2017-02-13 _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_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 J. Kwon J. . . . 30237 2 L. Nicholson L. K. . . 30237 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Asthma . 30237 'Death Domain' . 30237 IRAK-M . 30237 'Innate immunity' . 30237 NMR . 30237 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30237 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 483 30237 '15N chemical shifts' 131 30237 '1H chemical shifts' 742 30237 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 . . 2019-07-05 2017-01-20 update BMRB 'update entry citation' 30237 1 . . 2018-01-17 2017-01-20 original author 'original release' 30237 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5UKE 'BMRB Entry Tracking System' 30237 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30237 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/s41467-018-03886-6 _Citation.PubMed_ID 29686383 _Citation.Full_citation . _Citation.Title ; The IL-33-PIN1-IRAK-M axis is critical for type 2 immunity in IL-33-induced allergic airway inflammation. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 9 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 1603 _Citation.Page_last 1603 _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 Morris Nechama M. . . . 30237 1 2 Jeahoo Kwon J. . . . 30237 1 3 Shuo Wei S. . . . 30237 1 4 'Adrian Tun' Kyi A. T. . . 30237 1 5 Robert Welner R. S. . . 30237 1 6 Iddo Ben-Dov I. Z. . . 30237 1 7 Mohamed Arredouani M. S. . . 30237 1 8 John Asara J. M. . . 30237 1 9 Chun-Hau Chen C. H. . . 30237 1 10 Cheng-Yu Tsai C. Y. . . 30237 1 11 Kyle Nelson K. F. . . 30237 1 12 Koichi Kobayashi K. S. . . 30237 1 13 Elliot Israel E. . . . 30237 1 14 'Xiao Zhen' Zhou X. Z. . . 30237 1 15 Linda Nicholson L. K. . . 30237 1 16 'Kun Ping' Lu K. P. . . 30237 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30237 _Assembly.ID 1 _Assembly.Name 'Interleukin-1 receptor-associated kinase 3 (E.C.2.7.11.1)' _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 . . . . . . 30237 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30237 _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 ; SEFGSMAGNCGARGALSAHT LLFDLPPALLGELCAVLDSC DGALGWRGLAERLSSSWLDV DHIEKEVDQGKSGTRELLWS WAQKNKTIGDLLQVLQEMGH RRAIHLITNYGAVLSPSEKS YQEG ; _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 124 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'Death domain (UNP residues 1-119)' _Entity.Mutation R61D,Y66E _Entity.EC_number 2.7.11.1 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13467.164 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'IL-1 receptor-associated kinase M' na 30237 1 IRAK-3 na 30237 1 IRAK-M na 30237 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SER . 30237 1 2 . GLU . 30237 1 3 . PHE . 30237 1 4 . GLY . 30237 1 5 . SER . 30237 1 6 . MET . 30237 1 7 . ALA . 30237 1 8 . GLY . 30237 1 9 . ASN . 30237 1 10 . CYS . 30237 1 11 . GLY . 30237 1 12 . ALA . 30237 1 13 . ARG . 30237 1 14 . GLY . 30237 1 15 . ALA . 30237 1 16 . LEU . 30237 1 17 . SER . 30237 1 18 . ALA . 30237 1 19 . HIS . 30237 1 20 . THR . 30237 1 21 . LEU . 30237 1 22 . LEU . 30237 1 23 . PHE . 30237 1 24 . ASP . 30237 1 25 . LEU . 30237 1 26 . PRO . 30237 1 27 . PRO . 30237 1 28 . ALA . 30237 1 29 . LEU . 30237 1 30 . LEU . 30237 1 31 . GLY . 30237 1 32 . GLU . 30237 1 33 . LEU . 30237 1 34 . CYS . 30237 1 35 . ALA . 30237 1 36 . VAL . 30237 1 37 . LEU . 30237 1 38 . ASP . 30237 1 39 . SER . 30237 1 40 . CYS . 30237 1 41 . ASP . 30237 1 42 . GLY . 30237 1 43 . ALA . 30237 1 44 . LEU . 30237 1 45 . GLY . 30237 1 46 . TRP . 30237 1 47 . ARG . 30237 1 48 . GLY . 30237 1 49 . LEU . 30237 1 50 . ALA . 30237 1 51 . GLU . 30237 1 52 . ARG . 30237 1 53 . LEU . 30237 1 54 . SER . 30237 1 55 . SER . 30237 1 56 . SER . 30237 1 57 . TRP . 30237 1 58 . LEU . 30237 1 59 . ASP . 30237 1 60 . VAL . 30237 1 61 . ASP . 30237 1 62 . HIS . 30237 1 63 . ILE . 30237 1 64 . GLU . 30237 1 65 . LYS . 30237 1 66 . GLU . 30237 1 67 . VAL . 30237 1 68 . ASP . 30237 1 69 . GLN . 30237 1 70 . GLY . 30237 1 71 . LYS . 30237 1 72 . SER . 30237 1 73 . GLY . 30237 1 74 . THR . 30237 1 75 . ARG . 30237 1 76 . GLU . 30237 1 77 . LEU . 30237 1 78 . LEU . 30237 1 79 . TRP . 30237 1 80 . SER . 30237 1 81 . TRP . 30237 1 82 . ALA . 30237 1 83 . GLN . 30237 1 84 . LYS . 30237 1 85 . ASN . 30237 1 86 . LYS . 30237 1 87 . THR . 30237 1 88 . ILE . 30237 1 89 . GLY . 30237 1 90 . ASP . 30237 1 91 . LEU . 30237 1 92 . LEU . 30237 1 93 . GLN . 30237 1 94 . VAL . 30237 1 95 . LEU . 30237 1 96 . GLN . 30237 1 97 . GLU . 30237 1 98 . MET . 30237 1 99 . GLY . 30237 1 100 . HIS . 30237 1 101 . ARG . 30237 1 102 . ARG . 30237 1 103 . ALA . 30237 1 104 . ILE . 30237 1 105 . HIS . 30237 1 106 . LEU . 30237 1 107 . ILE . 30237 1 108 . THR . 30237 1 109 . ASN . 30237 1 110 . TYR . 30237 1 111 . GLY . 30237 1 112 . ALA . 30237 1 113 . VAL . 30237 1 114 . LEU . 30237 1 115 . SER . 30237 1 116 . PRO . 30237 1 117 . SER . 30237 1 118 . GLU . 30237 1 119 . LYS . 30237 1 120 . SER . 30237 1 121 . TYR . 30237 1 122 . GLN . 30237 1 123 . GLU . 30237 1 124 . GLY . 30237 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 . SER 1 1 30237 1 . GLU 2 2 30237 1 . PHE 3 3 30237 1 . GLY 4 4 30237 1 . SER 5 5 30237 1 . MET 6 6 30237 1 . ALA 7 7 30237 1 . GLY 8 8 30237 1 . ASN 9 9 30237 1 . CYS 10 10 30237 1 . GLY 11 11 30237 1 . ALA 12 12 30237 1 . ARG 13 13 30237 1 . GLY 14 14 30237 1 . ALA 15 15 30237 1 . LEU 16 16 30237 1 . SER 17 17 30237 1 . ALA 18 18 30237 1 . HIS 19 19 30237 1 . THR 20 20 30237 1 . LEU 21 21 30237 1 . LEU 22 22 30237 1 . PHE 23 23 30237 1 . ASP 24 24 30237 1 . LEU 25 25 30237 1 . PRO 26 26 30237 1 . PRO 27 27 30237 1 . ALA 28 28 30237 1 . LEU 29 29 30237 1 . LEU 30 30 30237 1 . GLY 31 31 30237 1 . GLU 32 32 30237 1 . LEU 33 33 30237 1 . CYS 34 34 30237 1 . ALA 35 35 30237 1 . VAL 36 36 30237 1 . LEU 37 37 30237 1 . ASP 38 38 30237 1 . SER 39 39 30237 1 . CYS 40 40 30237 1 . ASP 41 41 30237 1 . GLY 42 42 30237 1 . ALA 43 43 30237 1 . LEU 44 44 30237 1 . GLY 45 45 30237 1 . TRP 46 46 30237 1 . ARG 47 47 30237 1 . GLY 48 48 30237 1 . LEU 49 49 30237 1 . ALA 50 50 30237 1 . GLU 51 51 30237 1 . ARG 52 52 30237 1 . LEU 53 53 30237 1 . SER 54 54 30237 1 . SER 55 55 30237 1 . SER 56 56 30237 1 . TRP 57 57 30237 1 . LEU 58 58 30237 1 . ASP 59 59 30237 1 . VAL 60 60 30237 1 . ASP 61 61 30237 1 . HIS 62 62 30237 1 . ILE 63 63 30237 1 . GLU 64 64 30237 1 . LYS 65 65 30237 1 . GLU 66 66 30237 1 . VAL 67 67 30237 1 . ASP 68 68 30237 1 . GLN 69 69 30237 1 . GLY 70 70 30237 1 . LYS 71 71 30237 1 . SER 72 72 30237 1 . GLY 73 73 30237 1 . THR 74 74 30237 1 . ARG 75 75 30237 1 . GLU 76 76 30237 1 . LEU 77 77 30237 1 . LEU 78 78 30237 1 . TRP 79 79 30237 1 . SER 80 80 30237 1 . TRP 81 81 30237 1 . ALA 82 82 30237 1 . GLN 83 83 30237 1 . LYS 84 84 30237 1 . ASN 85 85 30237 1 . LYS 86 86 30237 1 . THR 87 87 30237 1 . ILE 88 88 30237 1 . GLY 89 89 30237 1 . ASP 90 90 30237 1 . LEU 91 91 30237 1 . LEU 92 92 30237 1 . GLN 93 93 30237 1 . VAL 94 94 30237 1 . LEU 95 95 30237 1 . GLN 96 96 30237 1 . GLU 97 97 30237 1 . MET 98 98 30237 1 . GLY 99 99 30237 1 . HIS 100 100 30237 1 . ARG 101 101 30237 1 . ARG 102 102 30237 1 . ALA 103 103 30237 1 . ILE 104 104 30237 1 . HIS 105 105 30237 1 . LEU 106 106 30237 1 . ILE 107 107 30237 1 . THR 108 108 30237 1 . ASN 109 109 30237 1 . TYR 110 110 30237 1 . GLY 111 111 30237 1 . ALA 112 112 30237 1 . VAL 113 113 30237 1 . LEU 114 114 30237 1 . SER 115 115 30237 1 . PRO 116 116 30237 1 . SER 117 117 30237 1 . GLU 118 118 30237 1 . LYS 119 119 30237 1 . SER 120 120 30237 1 . TYR 121 121 30237 1 . GLN 122 122 30237 1 . GLU 123 123 30237 1 . GLY 124 124 30237 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 30237 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . IRAK3 . 30237 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 30237 _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' . 'N-terminal fusion partner MBP, separated by a Factor XA cleavage site' 562 Escherichia coli . . . plasmid . . pMAL-c2X . . . 30237 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30237 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 800 uM [U-99% 13C; U-99% 15N] IRAK-M Death Domain_R56D_Y61E, 20 mM sodium chloride, 5 mM TCEP, 10 mM TRIS, 5 mM sodium azide, 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 'IRAK-M Death Domain_R56D_Y61E' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 800 . . uM . . . . 30237 1 2 TCEP 'natural abundance' . . . . . . 5 . . mM . . . . 30237 1 3 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 30237 1 4 'sodium azide' 'natural abundance' . . . . . . 5 . . mM . . . . 30237 1 5 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 30237 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30237 _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' 0.0229 . M 30237 1 pH 6.67 . pH 30237 1 pressure 1 . atm 30237 1 temperature 298 . K 30237 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30237 _Software.ID 1 _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' . . 30237 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30237 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30237 _Software.ID 2 _Software.Type . _Software.Name PINE _Software.Version 2.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 30237 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30237 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30237 _Software.ID 3 _Software.Type . _Software.Name PONDEROSA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'NMRFAM (University of Wisconsin-Madison), WoongHee Lee' . . 30237 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30237 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30237 _Software.ID 4 _Software.Type . _Software.Name SPARKY _Software.Version 3.115 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30237 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30237 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30237 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30237 _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 Varian INOVA . 600 . . . 30237 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 30237 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30237 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30237 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30237 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30237 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30237 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30237 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30237 1 8 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30237 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30237 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30237 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30237 1 12 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30237 1 13 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30237 1 14 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30237 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 30237 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'DSS chemical shift reference' 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 external indirect 0.251449582 . . . . . 30237 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 30237 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.10132905 . . . . . 30237 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 30237 _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' . . . 30237 1 2 '2D 1H-13C HSQC' . . . 30237 1 3 '3D CBCA(CO)NH' . . . 30237 1 4 '3D C(CO)NH' . . . 30237 1 5 '3D HNCO' . . . 30237 1 6 '3D HNCA' . . . 30237 1 7 '3D HNCACB' . . . 30237 1 8 '3D HN(CO)CA' . . . 30237 1 9 '3D 1H-15N TOCSY' . . . 30237 1 10 '3D 1H-15N NOESY' . . . 30237 1 11 '3D HCCH-TOCSY' . . . 30237 1 12 '3D H(CCO)NH' . . . 30237 1 13 '3D 1H-13C NOESY aliphatic' . . . 30237 1 14 '3D 1H-13C NOESY aromatic' . . . 30237 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 SER HA H 1 4.498 0 . . . . . . A 1 SER HA . 30237 1 2 . 1 1 1 1 SER HB2 H 1 4.478 0 . . . . . . A 1 SER HB2 . 30237 1 3 . 1 1 1 1 SER HB3 H 1 3.867 0 . . . . . . A 1 SER HB3 . 30237 1 4 . 1 1 1 1 SER C C 13 174.063 0 . . . . . . A 1 SER C . 30237 1 5 . 1 1 1 1 SER CA C 13 58.222 0 . . . . . . A 1 SER CA . 30237 1 6 . 1 1 1 1 SER CB C 13 63.816 0 . . . . . . A 1 SER CB . 30237 1 7 . 1 1 2 2 GLU H H 1 8.55 0 . . . . . . A 2 GLU H . 30237 1 8 . 1 1 2 2 GLU HA H 1 4.252 0 . . . . . . A 2 GLU HA . 30237 1 9 . 1 1 2 2 GLU HB2 H 1 1.928 0 . . . . . . A 2 GLU HB2 . 30237 1 10 . 1 1 2 2 GLU HB3 H 1 1.863 0 . . . . . . A 2 GLU HB3 . 30237 1 11 . 1 1 2 2 GLU HG2 H 1 2.122 0 . . . . . . A 2 GLU HG2 . 30237 1 12 . 1 1 2 2 GLU C C 13 176.207 0 . . . . . . A 2 GLU C . 30237 1 13 . 1 1 2 2 GLU CA C 13 56.9 0 . . . . . . A 2 GLU CA . 30237 1 14 . 1 1 2 2 GLU CB C 13 30.258 0 . . . . . . A 2 GLU CB . 30237 1 15 . 1 1 2 2 GLU CG C 13 36.126 0 . . . . . . A 2 GLU CG . 30237 1 16 . 1 1 2 2 GLU N N 15 123.286 0 . . . . . . A 2 GLU N . 30237 1 17 . 1 1 3 3 PHE H H 1 8.317 0 . . . . . . A 3 PHE H . 30237 1 18 . 1 1 3 3 PHE HA H 1 4.66 0 . . . . . . A 3 PHE HA . 30237 1 19 . 1 1 3 3 PHE HB2 H 1 3.014 0 . . . . . . A 3 PHE HB2 . 30237 1 20 . 1 1 3 3 PHE HB3 H 1 3.226 0 . . . . . . A 3 PHE HB3 . 30237 1 21 . 1 1 3 3 PHE C C 13 176.453 0 . . . . . . A 3 PHE C . 30237 1 22 . 1 1 3 3 PHE CA C 13 58.065 0 . . . . . . A 3 PHE CA . 30237 1 23 . 1 1 3 3 PHE CB C 13 39.551 0 . . . . . . A 3 PHE CB . 30237 1 24 . 1 1 3 3 PHE N N 15 120.571 0 . . . . . . A 3 PHE N . 30237 1 25 . 1 1 4 4 GLY H H 1 8.373 0 . . . . . . A 4 GLY H . 30237 1 26 . 1 1 4 4 GLY HA2 H 1 3.995 0 . . . . . . A 4 GLY HA2 . 30237 1 27 . 1 1 4 4 GLY HA3 H 1 3.972 0 . . . . . . A 4 GLY HA3 . 30237 1 28 . 1 1 4 4 GLY C C 13 174.287 0 . . . . . . A 4 GLY C . 30237 1 29 . 1 1 4 4 GLY CA C 13 45.537 0 . . . . . . A 4 GLY CA . 30237 1 30 . 1 1 4 4 GLY N N 15 110.339 0 . . . . . . A 4 GLY N . 30237 1 31 . 1 1 5 5 SER H H 1 8.223 0 . . . . . . A 5 SER H . 30237 1 32 . 1 1 5 5 SER HA H 1 4.498 0 . . . . . . A 5 SER HA . 30237 1 33 . 1 1 5 5 SER HB2 H 1 3.723 0 . . . . . . A 5 SER HB2 . 30237 1 34 . 1 1 5 5 SER HB3 H 1 3.895 0 . . . . . . A 5 SER HB3 . 30237 1 35 . 1 1 5 5 SER C C 13 174.93 0 . . . . . . A 5 SER C . 30237 1 36 . 1 1 5 5 SER CA C 13 58.608 0 . . . . . . A 5 SER CA . 30237 1 37 . 1 1 5 5 SER CB C 13 63.902 0 . . . . . . A 5 SER CB . 30237 1 38 . 1 1 5 5 SER N N 15 115.508 0 . . . . . . A 5 SER N . 30237 1 39 . 1 1 6 6 MET H H 1 8.454 0 . . . . . . A 6 MET H . 30237 1 40 . 1 1 6 6 MET HA H 1 4.542 0 . . . . . . A 6 MET HA . 30237 1 41 . 1 1 6 6 MET HB2 H 1 2.179 0 . . . . . . A 6 MET HB2 . 30237 1 42 . 1 1 6 6 MET HG3 H 1 2.144 0 . . . . . . A 6 MET HG3 . 30237 1 43 . 1 1 6 6 MET C C 13 176.075 0 . . . . . . A 6 MET C . 30237 1 44 . 1 1 6 6 MET CA C 13 55.765 0 . . . . . . A 6 MET CA . 30237 1 45 . 1 1 6 6 MET CB C 13 32.631 0 . . . . . . A 6 MET CB . 30237 1 46 . 1 1 6 6 MET CE C 13 16.461 0 . . . . . . A 6 MET CE . 30237 1 47 . 1 1 6 6 MET N N 15 122.045 0 . . . . . . A 6 MET N . 30237 1 48 . 1 1 7 7 ALA H H 1 8.245 0 . . . . . . A 7 ALA H . 30237 1 49 . 1 1 7 7 ALA HA H 1 4.37 0 . . . . . . A 7 ALA HA . 30237 1 50 . 1 1 7 7 ALA HB1 H 1 1.442 0 . . . . . . A 7 ALA HB1 . 30237 1 51 . 1 1 7 7 ALA HB2 H 1 1.442 0 . . . . . . A 7 ALA HB2 . 30237 1 52 . 1 1 7 7 ALA HB3 H 1 1.442 0 . . . . . . A 7 ALA HB3 . 30237 1 53 . 1 1 7 7 ALA C C 13 178.189 0 . . . . . . A 7 ALA C . 30237 1 54 . 1 1 7 7 ALA CA C 13 52.947 0 . . . . . . A 7 ALA CA . 30237 1 55 . 1 1 7 7 ALA CB C 13 19.291 0 . . . . . . A 7 ALA CB . 30237 1 56 . 1 1 7 7 ALA N N 15 124.425 0 . . . . . . A 7 ALA N . 30237 1 57 . 1 1 8 8 GLY H H 1 8.354 0 . . . . . . A 8 GLY H . 30237 1 58 . 1 1 8 8 GLY HA2 H 1 3.996 0 . . . . . . A 8 GLY HA2 . 30237 1 59 . 1 1 8 8 GLY C C 13 174.147 0 . . . . . . A 8 GLY C . 30237 1 60 . 1 1 8 8 GLY CA C 13 45.433 0 . . . . . . A 8 GLY CA . 30237 1 61 . 1 1 8 8 GLY N N 15 107.743 0 . . . . . . A 8 GLY N . 30237 1 62 . 1 1 9 9 ASN H H 1 8.338 0 . . . . . . A 9 ASN H . 30237 1 63 . 1 1 9 9 ASN HA H 1 4.823 0 . . . . . . A 9 ASN HA . 30237 1 64 . 1 1 9 9 ASN HB2 H 1 2.9 0 . . . . . . A 9 ASN HB2 . 30237 1 65 . 1 1 9 9 ASN HB3 H 1 2.835 0 . . . . . . A 9 ASN HB3 . 30237 1 66 . 1 1 9 9 ASN HD21 H 1 7.622 0 . . . . . . A 9 ASN HD21 . 30237 1 67 . 1 1 9 9 ASN HD22 H 1 6.95 0 . . . . . . A 9 ASN HD22 . 30237 1 68 . 1 1 9 9 ASN C C 13 175.444 0 . . . . . . A 9 ASN C . 30237 1 69 . 1 1 9 9 ASN CA C 13 53.395 0 . . . . . . A 9 ASN CA . 30237 1 70 . 1 1 9 9 ASN CB C 13 38.984 0 . . . . . . A 9 ASN CB . 30237 1 71 . 1 1 9 9 ASN N N 15 118.689 0 . . . . . . A 9 ASN N . 30237 1 72 . 1 1 9 9 ASN ND2 N 15 112.757 0 . . . . . . A 9 ASN ND2 . 30237 1 73 . 1 1 10 10 CYS H H 1 8.442 0 . . . . . . A 10 CYS H . 30237 1 74 . 1 1 10 10 CYS HA H 1 4.55 0 . . . . . . A 10 CYS HA . 30237 1 75 . 1 1 10 10 CYS HB2 H 1 3.004 0 . . . . . . A 10 CYS HB2 . 30237 1 76 . 1 1 10 10 CYS C C 13 175.212 0 . . . . . . A 10 CYS C . 30237 1 77 . 1 1 10 10 CYS CA C 13 58.976 0 . . . . . . A 10 CYS CA . 30237 1 78 . 1 1 10 10 CYS CB C 13 27.998 0 . . . . . . A 10 CYS CB . 30237 1 79 . 1 1 10 10 CYS N N 15 119.116 0 . . . . . . A 10 CYS N . 30237 1 80 . 1 1 11 11 GLY H H 1 8.472 0 . . . . . . A 11 GLY H . 30237 1 81 . 1 1 11 11 GLY HA2 H 1 4.008 0 . . . . . . A 11 GLY HA2 . 30237 1 82 . 1 1 11 11 GLY HA3 H 1 3.993 0 . . . . . . A 11 GLY HA3 . 30237 1 83 . 1 1 11 11 GLY C C 13 173.856 0 . . . . . . A 11 GLY C . 30237 1 84 . 1 1 11 11 GLY CA C 13 45.378 0 . . . . . . A 11 GLY CA . 30237 1 85 . 1 1 11 11 GLY N N 15 110.744 0 . . . . . . A 11 GLY N . 30237 1 86 . 1 1 12 12 ALA H H 1 8.19 0 . . . . . . A 12 ALA H . 30237 1 87 . 1 1 12 12 ALA HA H 1 4.361 0 . . . . . . A 12 ALA HA . 30237 1 88 . 1 1 12 12 ALA HB1 H 1 1.433 0 . . . . . . A 12 ALA HB1 . 30237 1 89 . 1 1 12 12 ALA HB2 H 1 1.433 0 . . . . . . A 12 ALA HB2 . 30237 1 90 . 1 1 12 12 ALA HB3 H 1 1.433 0 . . . . . . A 12 ALA HB3 . 30237 1 91 . 1 1 12 12 ALA C C 13 177.83 0 . . . . . . A 12 ALA C . 30237 1 92 . 1 1 12 12 ALA CA C 13 52.703 0 . . . . . . A 12 ALA CA . 30237 1 93 . 1 1 12 12 ALA CB C 13 19.392 0 . . . . . . A 12 ALA CB . 30237 1 94 . 1 1 12 12 ALA N N 15 123.885 0 . . . . . . A 12 ALA N . 30237 1 95 . 1 1 13 13 ARG H H 1 8.381 0 . . . . . . A 13 ARG H . 30237 1 96 . 1 1 13 13 ARG HA H 1 4.393 0 . . . . . . A 13 ARG HA . 30237 1 97 . 1 1 13 13 ARG HB2 H 1 1.905 0 . . . . . . A 13 ARG HB2 . 30237 1 98 . 1 1 13 13 ARG HB3 H 1 1.932 0 . . . . . . A 13 ARG HB3 . 30237 1 99 . 1 1 13 13 ARG HG2 H 1 1.692 0 . . . . . . A 13 ARG HG2 . 30237 1 100 . 1 1 13 13 ARG HG3 H 1 1.641 0 . . . . . . A 13 ARG HG3 . 30237 1 101 . 1 1 13 13 ARG HD2 H 1 3.234 0 . . . . . . A 13 ARG HD2 . 30237 1 102 . 1 1 13 13 ARG HD3 H 1 3.166 0 . . . . . . A 13 ARG HD3 . 30237 1 103 . 1 1 13 13 ARG C C 13 176.719 0 . . . . . . A 13 ARG C . 30237 1 104 . 1 1 13 13 ARG CA C 13 56.315 0 . . . . . . A 13 ARG CA . 30237 1 105 . 1 1 13 13 ARG CB C 13 30.601 0 . . . . . . A 13 ARG CB . 30237 1 106 . 1 1 13 13 ARG CG C 13 27.199 0 . . . . . . A 13 ARG CG . 30237 1 107 . 1 1 13 13 ARG CD C 13 43.273 0 . . . . . . A 13 ARG CD . 30237 1 108 . 1 1 13 13 ARG N N 15 119.928 0 . . . . . . A 13 ARG N . 30237 1 109 . 1 1 14 14 GLY H H 1 8.309 0 . . . . . . A 14 GLY H . 30237 1 110 . 1 1 14 14 GLY HA2 H 1 4.019 0 . . . . . . A 14 GLY HA2 . 30237 1 111 . 1 1 14 14 GLY HA3 H 1 3.936 0 . . . . . . A 14 GLY HA3 . 30237 1 112 . 1 1 14 14 GLY C C 13 173.539 0 . . . . . . A 14 GLY C . 30237 1 113 . 1 1 14 14 GLY CA C 13 45.293 0 . . . . . . A 14 GLY CA . 30237 1 114 . 1 1 14 14 GLY N N 15 109.647 0 . . . . . . A 14 GLY N . 30237 1 115 . 1 1 15 15 ALA H H 1 8.126 0 . . . . . . A 15 ALA H . 30237 1 116 . 1 1 15 15 ALA HA H 1 4.43 0 . . . . . . A 15 ALA HA . 30237 1 117 . 1 1 15 15 ALA HB1 H 1 1.465 0 . . . . . . A 15 ALA HB1 . 30237 1 118 . 1 1 15 15 ALA HB2 H 1 1.465 0 . . . . . . A 15 ALA HB2 . 30237 1 119 . 1 1 15 15 ALA HB3 H 1 1.465 0 . . . . . . A 15 ALA HB3 . 30237 1 120 . 1 1 15 15 ALA C C 13 177.674 0 . . . . . . A 15 ALA C . 30237 1 121 . 1 1 15 15 ALA CA C 13 52.574 0 . . . . . . A 15 ALA CA . 30237 1 122 . 1 1 15 15 ALA CB C 13 19.858 0 . . . . . . A 15 ALA CB . 30237 1 123 . 1 1 15 15 ALA N N 15 122.811 0 . . . . . . A 15 ALA N . 30237 1 124 . 1 1 16 16 LEU H H 1 8.349 0 . . . . . . A 16 LEU H . 30237 1 125 . 1 1 16 16 LEU HA H 1 4.475 0 . . . . . . A 16 LEU HA . 30237 1 126 . 1 1 16 16 LEU HB2 H 1 1.515 0 . . . . . . A 16 LEU HB2 . 30237 1 127 . 1 1 16 16 LEU HG H 1 0.921 0 . . . . . . A 16 LEU HG . 30237 1 128 . 1 1 16 16 LEU HD11 H 1 0.873 0 . . . . . . A 16 LEU HD11 . 30237 1 129 . 1 1 16 16 LEU HD12 H 1 0.873 0 . . . . . . A 16 LEU HD12 . 30237 1 130 . 1 1 16 16 LEU HD13 H 1 0.873 0 . . . . . . A 16 LEU HD13 . 30237 1 131 . 1 1 16 16 LEU HD21 H 1 0.89 0 . . . . . . A 16 LEU HD21 . 30237 1 132 . 1 1 16 16 LEU HD22 H 1 0.89 0 . . . . . . A 16 LEU HD22 . 30237 1 133 . 1 1 16 16 LEU HD23 H 1 0.89 0 . . . . . . A 16 LEU HD23 . 30237 1 134 . 1 1 16 16 LEU C C 13 176.041 0 . . . . . . A 16 LEU C . 30237 1 135 . 1 1 16 16 LEU CA C 13 54.526 0 . . . . . . A 16 LEU CA . 30237 1 136 . 1 1 16 16 LEU CB C 13 42.954 0 . . . . . . A 16 LEU CB . 30237 1 137 . 1 1 16 16 LEU CG C 13 27.333 0 . . . . . . A 16 LEU CG . 30237 1 138 . 1 1 16 16 LEU CD1 C 13 25.556 0 . . . . . . A 16 LEU CD1 . 30237 1 139 . 1 1 16 16 LEU CD2 C 13 24.537 0 . . . . . . A 16 LEU CD2 . 30237 1 140 . 1 1 16 16 LEU N N 15 120.898 0 . . . . . . A 16 LEU N . 30237 1 141 . 1 1 17 17 SER H H 1 8.555 0 . . . . . . A 17 SER H . 30237 1 142 . 1 1 17 17 SER HA H 1 4.592 0 . . . . . . A 17 SER HA . 30237 1 143 . 1 1 17 17 SER HB2 H 1 3.982 0 . . . . . . A 17 SER HB2 . 30237 1 144 . 1 1 17 17 SER HB3 H 1 3.803 0 . . . . . . A 17 SER HB3 . 30237 1 145 . 1 1 17 17 SER C C 13 175.519 0 . . . . . . A 17 SER C . 30237 1 146 . 1 1 17 17 SER CA C 13 57.223 0 . . . . . . A 17 SER CA . 30237 1 147 . 1 1 17 17 SER CB C 13 65.134 0 . . . . . . A 17 SER CB . 30237 1 148 . 1 1 17 17 SER N N 15 117.472 0 . . . . . . A 17 SER N . 30237 1 149 . 1 1 18 18 ALA H H 1 8.912 0 . . . . . . A 18 ALA H . 30237 1 150 . 1 1 18 18 ALA HA H 1 3.862 0 . . . . . . A 18 ALA HA . 30237 1 151 . 1 1 18 18 ALA HB1 H 1 1.303 0 . . . . . . A 18 ALA HB1 . 30237 1 152 . 1 1 18 18 ALA HB2 H 1 1.303 0 . . . . . . A 18 ALA HB2 . 30237 1 153 . 1 1 18 18 ALA HB3 H 1 1.303 0 . . . . . . A 18 ALA HB3 . 30237 1 154 . 1 1 18 18 ALA C C 13 177.607 0 . . . . . . A 18 ALA C . 30237 1 155 . 1 1 18 18 ALA CA C 13 54.565 0 . . . . . . A 18 ALA CA . 30237 1 156 . 1 1 18 18 ALA CB C 13 18.404 0 . . . . . . A 18 ALA CB . 30237 1 157 . 1 1 18 18 ALA N N 15 125.416 0 . . . . . . A 18 ALA N . 30237 1 158 . 1 1 19 19 HIS H H 1 7.767 0 . . . . . . A 19 HIS H . 30237 1 159 . 1 1 19 19 HIS HA H 1 4.635 0 . . . . . . A 19 HIS HA . 30237 1 160 . 1 1 19 19 HIS HB2 H 1 3.045 0 . . . . . . A 19 HIS HB2 . 30237 1 161 . 1 1 19 19 HIS HB3 H 1 3.289 0 . . . . . . A 19 HIS HB3 . 30237 1 162 . 1 1 19 19 HIS HD2 H 1 7.05 0 . . . . . . A 19 HIS HD2 . 30237 1 163 . 1 1 19 19 HIS C C 13 175.098 0 . . . . . . A 19 HIS C . 30237 1 164 . 1 1 19 19 HIS CA C 13 55.618 0 . . . . . . A 19 HIS CA . 30237 1 165 . 1 1 19 19 HIS CB C 13 30.026 0 . . . . . . A 19 HIS CB . 30237 1 166 . 1 1 19 19 HIS CD2 C 13 118.369 0 . . . . . . A 19 HIS CD2 . 30237 1 167 . 1 1 19 19 HIS N N 15 111.715 0 . . . . . . A 19 HIS N . 30237 1 168 . 1 1 20 20 THR H H 1 7.62 0 . . . . . . A 20 THR H . 30237 1 169 . 1 1 20 20 THR HA H 1 4.039 0 . . . . . . A 20 THR HA . 30237 1 170 . 1 1 20 20 THR HB H 1 4.062 0 . . . . . . A 20 THR HB . 30237 1 171 . 1 1 20 20 THR HG21 H 1 1.063 0 . . . . . . A 20 THR HG21 . 30237 1 172 . 1 1 20 20 THR HG22 H 1 1.063 0 . . . . . . A 20 THR HG22 . 30237 1 173 . 1 1 20 20 THR HG23 H 1 1.063 0 . . . . . . A 20 THR HG23 . 30237 1 174 . 1 1 20 20 THR C C 13 173.83 0 . . . . . . A 20 THR C . 30237 1 175 . 1 1 20 20 THR CA C 13 64.469 0 . . . . . . A 20 THR CA . 30237 1 176 . 1 1 20 20 THR CB C 13 69.779 0 . . . . . . A 20 THR CB . 30237 1 177 . 1 1 20 20 THR CG2 C 13 21.337 0 . . . . . . A 20 THR CG2 . 30237 1 178 . 1 1 20 20 THR N N 15 119.726 0 . . . . . . A 20 THR N . 30237 1 179 . 1 1 21 21 LEU H H 1 9.193 0 . . . . . . A 21 LEU H . 30237 1 180 . 1 1 21 21 LEU HA H 1 4.34 0 . . . . . . A 21 LEU HA . 30237 1 181 . 1 1 21 21 LEU HB2 H 1 1.692 0 . . . . . . A 21 LEU HB2 . 30237 1 182 . 1 1 21 21 LEU HG H 1 1.861 0 . . . . . . A 21 LEU HG . 30237 1 183 . 1 1 21 21 LEU HD11 H 1 0.887 0 . . . . . . A 21 LEU HD11 . 30237 1 184 . 1 1 21 21 LEU HD12 H 1 0.887 0 . . . . . . A 21 LEU HD12 . 30237 1 185 . 1 1 21 21 LEU HD13 H 1 0.887 0 . . . . . . A 21 LEU HD13 . 30237 1 186 . 1 1 21 21 LEU HD21 H 1 0.817 0 . . . . . . A 21 LEU HD21 . 30237 1 187 . 1 1 21 21 LEU HD22 H 1 0.817 0 . . . . . . A 21 LEU HD22 . 30237 1 188 . 1 1 21 21 LEU HD23 H 1 0.817 0 . . . . . . A 21 LEU HD23 . 30237 1 189 . 1 1 21 21 LEU C C 13 178.854 0 . . . . . . A 21 LEU C . 30237 1 190 . 1 1 21 21 LEU CA C 13 55.679 0 . . . . . . A 21 LEU CA . 30237 1 191 . 1 1 21 21 LEU CB C 13 40.841 0 . . . . . . A 21 LEU CB . 30237 1 192 . 1 1 21 21 LEU CD1 C 13 25.548 0 . . . . . . A 21 LEU CD1 . 30237 1 193 . 1 1 21 21 LEU CD2 C 13 23.028 0 . . . . . . A 21 LEU CD2 . 30237 1 194 . 1 1 21 21 LEU N N 15 128.869 0 . . . . . . A 21 LEU N . 30237 1 195 . 1 1 22 22 LEU H H 1 8.447 0 . . . . . . A 22 LEU H . 30237 1 196 . 1 1 22 22 LEU HA H 1 4.196 0 . . . . . . A 22 LEU HA . 30237 1 197 . 1 1 22 22 LEU HB2 H 1 1.425 0 . . . . . . A 22 LEU HB2 . 30237 1 198 . 1 1 22 22 LEU HG H 1 1.443 0 . . . . . . A 22 LEU HG . 30237 1 199 . 1 1 22 22 LEU HD11 H 1 0.69 0 . . . . . . A 22 LEU HD11 . 30237 1 200 . 1 1 22 22 LEU HD12 H 1 0.69 0 . . . . . . A 22 LEU HD12 . 30237 1 201 . 1 1 22 22 LEU HD13 H 1 0.69 0 . . . . . . A 22 LEU HD13 . 30237 1 202 . 1 1 22 22 LEU HD21 H 1 0.879 0 . . . . . . A 22 LEU HD21 . 30237 1 203 . 1 1 22 22 LEU HD22 H 1 0.879 0 . . . . . . A 22 LEU HD22 . 30237 1 204 . 1 1 22 22 LEU HD23 H 1 0.879 0 . . . . . . A 22 LEU HD23 . 30237 1 205 . 1 1 22 22 LEU C C 13 178.695 0 . . . . . . A 22 LEU C . 30237 1 206 . 1 1 22 22 LEU CA C 13 58.004 0 . . . . . . A 22 LEU CA . 30237 1 207 . 1 1 22 22 LEU CB C 13 41.486 0 . . . . . . A 22 LEU CB . 30237 1 208 . 1 1 22 22 LEU CG C 13 27.188 0 . . . . . . A 22 LEU CG . 30237 1 209 . 1 1 22 22 LEU CD1 C 13 26.799 0 . . . . . . A 22 LEU CD1 . 30237 1 210 . 1 1 22 22 LEU N N 15 121.211 0 . . . . . . A 22 LEU N . 30237 1 211 . 1 1 23 23 PHE H H 1 8.037 0 . . . . . . A 23 PHE H . 30237 1 212 . 1 1 23 23 PHE HA H 1 4.393 0 . . . . . . A 23 PHE HA . 30237 1 213 . 1 1 23 23 PHE HB2 H 1 3.2 0 . . . . . . A 23 PHE HB2 . 30237 1 214 . 1 1 23 23 PHE HB3 H 1 2.864 0 . . . . . . A 23 PHE HB3 . 30237 1 215 . 1 1 23 23 PHE C C 13 176.171 0 . . . . . . A 23 PHE C . 30237 1 216 . 1 1 23 23 PHE CA C 13 59.91 0 . . . . . . A 23 PHE CA . 30237 1 217 . 1 1 23 23 PHE CB C 13 39.084 0 . . . . . . A 23 PHE CB . 30237 1 218 . 1 1 23 23 PHE N N 15 113.203 0 . . . . . . A 23 PHE N . 30237 1 219 . 1 1 24 24 ASP H H 1 7.83 0 . . . . . . A 24 ASP H . 30237 1 220 . 1 1 24 24 ASP HA H 1 4.958 0 . . . . . . A 24 ASP HA . 30237 1 221 . 1 1 24 24 ASP HB2 H 1 2.692 0 . . . . . . A 24 ASP HB2 . 30237 1 222 . 1 1 24 24 ASP HB3 H 1 3.005 0 . . . . . . A 24 ASP HB3 . 30237 1 223 . 1 1 24 24 ASP C C 13 176.167 0 . . . . . . A 24 ASP C . 30237 1 224 . 1 1 24 24 ASP CA C 13 54.201 0 . . . . . . A 24 ASP CA . 30237 1 225 . 1 1 24 24 ASP CB C 13 41.467 0 . . . . . . A 24 ASP CB . 30237 1 226 . 1 1 24 24 ASP N N 15 117.364 0 . . . . . . A 24 ASP N . 30237 1 227 . 1 1 25 25 LEU H H 1 7.344 0 . . . . . . A 25 LEU H . 30237 1 228 . 1 1 25 25 LEU HA H 1 4.203 0 . . . . . . A 25 LEU HA . 30237 1 229 . 1 1 25 25 LEU HB2 H 1 1.917 0 . . . . . . A 25 LEU HB2 . 30237 1 230 . 1 1 25 25 LEU HB3 H 1 1.335 0 . . . . . . A 25 LEU HB3 . 30237 1 231 . 1 1 25 25 LEU HG H 1 1.634 0 . . . . . . A 25 LEU HG . 30237 1 232 . 1 1 25 25 LEU HD11 H 1 0.871 0 . . . . . . A 25 LEU HD11 . 30237 1 233 . 1 1 25 25 LEU HD12 H 1 0.871 0 . . . . . . A 25 LEU HD12 . 30237 1 234 . 1 1 25 25 LEU HD13 H 1 0.871 0 . . . . . . A 25 LEU HD13 . 30237 1 235 . 1 1 25 25 LEU HD21 H 1 0.863 0 . . . . . . A 25 LEU HD21 . 30237 1 236 . 1 1 25 25 LEU HD22 H 1 0.863 0 . . . . . . A 25 LEU HD22 . 30237 1 237 . 1 1 25 25 LEU HD23 H 1 0.863 0 . . . . . . A 25 LEU HD23 . 30237 1 238 . 1 1 25 25 LEU CA C 13 53.961 0 . . . . . . A 25 LEU CA . 30237 1 239 . 1 1 25 25 LEU CB C 13 41.935 0 . . . . . . A 25 LEU CB . 30237 1 240 . 1 1 25 25 LEU CG C 13 27.093 0 . . . . . . A 25 LEU CG . 30237 1 241 . 1 1 25 25 LEU CD1 C 13 25.679 0 . . . . . . A 25 LEU CD1 . 30237 1 242 . 1 1 25 25 LEU CD2 C 13 23.58 0 . . . . . . A 25 LEU CD2 . 30237 1 243 . 1 1 25 25 LEU N N 15 121.439 0 . . . . . . A 25 LEU N . 30237 1 244 . 1 1 26 26 PRO HA H 1 4.184 0 . . . . . . A 26 PRO HA . 30237 1 245 . 1 1 26 26 PRO HB2 H 1 1.974 0 . . . . . . A 26 PRO HB2 . 30237 1 246 . 1 1 26 26 PRO HG2 H 1 1.974 0 . . . . . . A 26 PRO HG2 . 30237 1 247 . 1 1 26 26 PRO HG3 H 1 1.99 0 . . . . . . A 26 PRO HG3 . 30237 1 248 . 1 1 26 26 PRO HD2 H 1 3.631 0 . . . . . . A 26 PRO HD2 . 30237 1 249 . 1 1 26 26 PRO HD3 H 1 3.59 0 . . . . . . A 26 PRO HD3 . 30237 1 250 . 1 1 26 26 PRO CB C 13 35.471 0 . . . . . . A 26 PRO CB . 30237 1 251 . 1 1 26 26 PRO CG C 13 26.85 0 . . . . . . A 26 PRO CG . 30237 1 252 . 1 1 26 26 PRO CD C 13 50.289 0 . . . . . . A 26 PRO CD . 30237 1 253 . 1 1 27 27 PRO HA H 1 4.182 0 . . . . . . A 27 PRO HA . 30237 1 254 . 1 1 27 27 PRO HB2 H 1 2.07 0 . . . . . . A 27 PRO HB2 . 30237 1 255 . 1 1 27 27 PRO HB3 H 1 2.461 0 . . . . . . A 27 PRO HB3 . 30237 1 256 . 1 1 27 27 PRO HG2 H 1 2.229 0 . . . . . . A 27 PRO HG2 . 30237 1 257 . 1 1 27 27 PRO HG3 H 1 2.257 0 . . . . . . A 27 PRO HG3 . 30237 1 258 . 1 1 27 27 PRO HD2 H 1 4.029 0 . . . . . . A 27 PRO HD2 . 30237 1 259 . 1 1 27 27 PRO HD3 H 1 3.996 0 . . . . . . A 27 PRO HD3 . 30237 1 260 . 1 1 27 27 PRO C C 13 179.408 0 . . . . . . A 27 PRO C . 30237 1 261 . 1 1 27 27 PRO CA C 13 65.709 0 . . . . . . A 27 PRO CA . 30237 1 262 . 1 1 27 27 PRO CB C 13 32.11 0 . . . . . . A 27 PRO CB . 30237 1 263 . 1 1 27 27 PRO CG C 13 27.967 0 . . . . . . A 27 PRO CG . 30237 1 264 . 1 1 27 27 PRO CD C 13 51.153 0 . . . . . . A 27 PRO CD . 30237 1 265 . 1 1 28 28 ALA H H 1 9.012 0 . . . . . . A 28 ALA H . 30237 1 266 . 1 1 28 28 ALA HA H 1 4.257 0 . . . . . . A 28 ALA HA . 30237 1 267 . 1 1 28 28 ALA HB1 H 1 1.454 0 . . . . . . A 28 ALA HB1 . 30237 1 268 . 1 1 28 28 ALA HB2 H 1 1.454 0 . . . . . . A 28 ALA HB2 . 30237 1 269 . 1 1 28 28 ALA HB3 H 1 1.454 0 . . . . . . A 28 ALA HB3 . 30237 1 270 . 1 1 28 28 ALA C C 13 180.595 0 . . . . . . A 28 ALA C . 30237 1 271 . 1 1 28 28 ALA CA C 13 55.204 0 . . . . . . A 28 ALA CA . 30237 1 272 . 1 1 28 28 ALA CB C 13 18.568 0 . . . . . . A 28 ALA CB . 30237 1 273 . 1 1 28 28 ALA N N 15 119.756 0 . . . . . . A 28 ALA N . 30237 1 274 . 1 1 29 29 LEU H H 1 6.955 0 . . . . . . A 29 LEU H . 30237 1 275 . 1 1 29 29 LEU HA H 1 4.174 0 . . . . . . A 29 LEU HA . 30237 1 276 . 1 1 29 29 LEU HB2 H 1 0.851 0 . . . . . . A 29 LEU HB2 . 30237 1 277 . 1 1 29 29 LEU HB3 H 1 1.561 0 . . . . . . A 29 LEU HB3 . 30237 1 278 . 1 1 29 29 LEU HG H 1 0.924 0 . . . . . . A 29 LEU HG . 30237 1 279 . 1 1 29 29 LEU HD11 H 1 0.599 0 . . . . . . A 29 LEU HD11 . 30237 1 280 . 1 1 29 29 LEU HD12 H 1 0.599 0 . . . . . . A 29 LEU HD12 . 30237 1 281 . 1 1 29 29 LEU HD13 H 1 0.599 0 . . . . . . A 29 LEU HD13 . 30237 1 282 . 1 1 29 29 LEU HD21 H 1 0.794 0 . . . . . . A 29 LEU HD21 . 30237 1 283 . 1 1 29 29 LEU HD22 H 1 0.794 0 . . . . . . A 29 LEU HD22 . 30237 1 284 . 1 1 29 29 LEU HD23 H 1 0.794 0 . . . . . . A 29 LEU HD23 . 30237 1 285 . 1 1 29 29 LEU C C 13 177.943 0 . . . . . . A 29 LEU C . 30237 1 286 . 1 1 29 29 LEU CA C 13 57.065 0 . . . . . . A 29 LEU CA . 30237 1 287 . 1 1 29 29 LEU CB C 13 40.94 0 . . . . . . A 29 LEU CB . 30237 1 288 . 1 1 29 29 LEU CG C 13 21.282 0 . . . . . . A 29 LEU CG . 30237 1 289 . 1 1 29 29 LEU CD1 C 13 26.019 0 . . . . . . A 29 LEU CD1 . 30237 1 290 . 1 1 29 29 LEU CD2 C 13 22.81 0 . . . . . . A 29 LEU CD2 . 30237 1 291 . 1 1 29 29 LEU N N 15 118.693 0 . . . . . . A 29 LEU N . 30237 1 292 . 1 1 30 30 LEU H H 1 7.817 0 . . . . . . A 30 LEU H . 30237 1 293 . 1 1 30 30 LEU HA H 1 3.883 0 . . . . . . A 30 LEU HA . 30237 1 294 . 1 1 30 30 LEU HB2 H 1 1.434 0 . . . . . . A 30 LEU HB2 . 30237 1 295 . 1 1 30 30 LEU HG H 1 1.76 0 . . . . . . A 30 LEU HG . 30237 1 296 . 1 1 30 30 LEU HD11 H 1 0.759 0 . . . . . . A 30 LEU HD11 . 30237 1 297 . 1 1 30 30 LEU HD12 H 1 0.759 0 . . . . . . A 30 LEU HD12 . 30237 1 298 . 1 1 30 30 LEU HD13 H 1 0.759 0 . . . . . . A 30 LEU HD13 . 30237 1 299 . 1 1 30 30 LEU HD21 H 1 0.83 0 . . . . . . A 30 LEU HD21 . 30237 1 300 . 1 1 30 30 LEU HD22 H 1 0.83 0 . . . . . . A 30 LEU HD22 . 30237 1 301 . 1 1 30 30 LEU HD23 H 1 0.83 0 . . . . . . A 30 LEU HD23 . 30237 1 302 . 1 1 30 30 LEU C C 13 179.202 0 . . . . . . A 30 LEU C . 30237 1 303 . 1 1 30 30 LEU CA C 13 58.401 0 . . . . . . A 30 LEU CA . 30237 1 304 . 1 1 30 30 LEU CB C 13 41.544 0 . . . . . . A 30 LEU CB . 30237 1 305 . 1 1 30 30 LEU CG C 13 27.033 0 . . . . . . A 30 LEU CG . 30237 1 306 . 1 1 30 30 LEU CD1 C 13 25 0 . . . . . . A 30 LEU CD1 . 30237 1 307 . 1 1 30 30 LEU CD2 C 13 21.882 0 . . . . . . A 30 LEU CD2 . 30237 1 308 . 1 1 30 30 LEU N N 15 119.14 0 . . . . . . A 30 LEU N . 30237 1 309 . 1 1 31 31 GLY H H 1 8.501 0 . . . . . . A 31 GLY H . 30237 1 310 . 1 1 31 31 GLY HA2 H 1 4.036 0 . . . . . . A 31 GLY HA2 . 30237 1 311 . 1 1 31 31 GLY HA3 H 1 3.758 0 . . . . . . A 31 GLY HA3 . 30237 1 312 . 1 1 31 31 GLY C C 13 176.678 0 . . . . . . A 31 GLY C . 30237 1 313 . 1 1 31 31 GLY CA C 13 47.507 0 . . . . . . A 31 GLY CA . 30237 1 314 . 1 1 31 31 GLY N N 15 104.878 0 . . . . . . A 31 GLY N . 30237 1 315 . 1 1 32 32 GLU H H 1 7.774 0 . . . . . . A 32 GLU H . 30237 1 316 . 1 1 32 32 GLU HA H 1 4.23 0 . . . . . . A 32 GLU HA . 30237 1 317 . 1 1 32 32 GLU HB2 H 1 2.164 0 . . . . . . A 32 GLU HB2 . 30237 1 318 . 1 1 32 32 GLU HB3 H 1 2.2 0 . . . . . . A 32 GLU HB3 . 30237 1 319 . 1 1 32 32 GLU HG2 H 1 2.536 0 . . . . . . A 32 GLU HG2 . 30237 1 320 . 1 1 32 32 GLU HG3 H 1 2.588 0 . . . . . . A 32 GLU HG3 . 30237 1 321 . 1 1 32 32 GLU C C 13 178.616 0 . . . . . . A 32 GLU C . 30237 1 322 . 1 1 32 32 GLU CA C 13 59.518 0 . . . . . . A 32 GLU CA . 30237 1 323 . 1 1 32 32 GLU CB C 13 29.869 0 . . . . . . A 32 GLU CB . 30237 1 324 . 1 1 32 32 GLU CG C 13 36.6 0 . . . . . . A 32 GLU CG . 30237 1 325 . 1 1 32 32 GLU N N 15 123.49 0 . . . . . . A 32 GLU N . 30237 1 326 . 1 1 33 33 LEU H H 1 8.646 0 . . . . . . A 33 LEU H . 30237 1 327 . 1 1 33 33 LEU HA H 1 3.891 0 . . . . . . A 33 LEU HA . 30237 1 328 . 1 1 33 33 LEU HB2 H 1 1.445 0 . . . . . . A 33 LEU HB2 . 30237 1 329 . 1 1 33 33 LEU HB3 H 1 1.42 0 . . . . . . A 33 LEU HB3 . 30237 1 330 . 1 1 33 33 LEU HG H 1 1.261 0 . . . . . . A 33 LEU HG . 30237 1 331 . 1 1 33 33 LEU HD11 H 1 0.763 0 . . . . . . A 33 LEU HD11 . 30237 1 332 . 1 1 33 33 LEU HD12 H 1 0.763 0 . . . . . . A 33 LEU HD12 . 30237 1 333 . 1 1 33 33 LEU HD13 H 1 0.763 0 . . . . . . A 33 LEU HD13 . 30237 1 334 . 1 1 33 33 LEU HD21 H 1 0.781 0 . . . . . . A 33 LEU HD21 . 30237 1 335 . 1 1 33 33 LEU HD22 H 1 0.781 0 . . . . . . A 33 LEU HD22 . 30237 1 336 . 1 1 33 33 LEU HD23 H 1 0.781 0 . . . . . . A 33 LEU HD23 . 30237 1 337 . 1 1 33 33 LEU C C 13 178.68 0 . . . . . . A 33 LEU C . 30237 1 338 . 1 1 33 33 LEU CA C 13 58.142 0 . . . . . . A 33 LEU CA . 30237 1 339 . 1 1 33 33 LEU CB C 13 42.261 0 . . . . . . A 33 LEU CB . 30237 1 340 . 1 1 33 33 LEU CG C 13 24.499 0 . . . . . . A 33 LEU CG . 30237 1 341 . 1 1 33 33 LEU CD1 C 13 23.83 0 . . . . . . A 33 LEU CD1 . 30237 1 342 . 1 1 33 33 LEU CD2 C 13 25.167 0 . . . . . . A 33 LEU CD2 . 30237 1 343 . 1 1 33 33 LEU N N 15 120.421 0 . . . . . . A 33 LEU N . 30237 1 344 . 1 1 34 34 CYS H H 1 8.337 0 . . . . . . A 34 CYS H . 30237 1 345 . 1 1 34 34 CYS HA H 1 4.458 0 . . . . . . A 34 CYS HA . 30237 1 346 . 1 1 34 34 CYS HB2 H 1 3.146 0 . . . . . . A 34 CYS HB2 . 30237 1 347 . 1 1 34 34 CYS HB3 H 1 3.128 0 . . . . . . A 34 CYS HB3 . 30237 1 348 . 1 1 34 34 CYS C C 13 175.445 0 . . . . . . A 34 CYS C . 30237 1 349 . 1 1 34 34 CYS CA C 13 63.948 0 . . . . . . A 34 CYS CA . 30237 1 350 . 1 1 34 34 CYS CB C 13 26.483 0 . . . . . . A 34 CYS CB . 30237 1 351 . 1 1 34 34 CYS N N 15 115.598 0 . . . . . . A 34 CYS N . 30237 1 352 . 1 1 35 35 ALA H H 1 7.816 0 . . . . . . A 35 ALA H . 30237 1 353 . 1 1 35 35 ALA HA H 1 4.118 0 . . . . . . A 35 ALA HA . 30237 1 354 . 1 1 35 35 ALA HB1 H 1 1.589 0 . . . . . . A 35 ALA HB1 . 30237 1 355 . 1 1 35 35 ALA HB2 H 1 1.589 0 . . . . . . A 35 ALA HB2 . 30237 1 356 . 1 1 35 35 ALA HB3 H 1 1.589 0 . . . . . . A 35 ALA HB3 . 30237 1 357 . 1 1 35 35 ALA C C 13 181.074 0 . . . . . . A 35 ALA C . 30237 1 358 . 1 1 35 35 ALA CA C 13 55.451 0 . . . . . . A 35 ALA CA . 30237 1 359 . 1 1 35 35 ALA CB C 13 17.918 0 . . . . . . A 35 ALA CB . 30237 1 360 . 1 1 35 35 ALA N N 15 120.601 0 . . . . . . A 35 ALA N . 30237 1 361 . 1 1 36 36 VAL H H 1 8.037 0 . . . . . . A 36 VAL H . 30237 1 362 . 1 1 36 36 VAL HA H 1 3.869 0 . . . . . . A 36 VAL HA . 30237 1 363 . 1 1 36 36 VAL HB H 1 2.232 0 . . . . . . A 36 VAL HB . 30237 1 364 . 1 1 36 36 VAL HG11 H 1 1.155 0 . . . . . . A 36 VAL HG11 . 30237 1 365 . 1 1 36 36 VAL HG12 H 1 1.155 0 . . . . . . A 36 VAL HG12 . 30237 1 366 . 1 1 36 36 VAL HG13 H 1 1.155 0 . . . . . . A 36 VAL HG13 . 30237 1 367 . 1 1 36 36 VAL HG21 H 1 0.909 0 . . . . . . A 36 VAL HG21 . 30237 1 368 . 1 1 36 36 VAL HG22 H 1 0.909 0 . . . . . . A 36 VAL HG22 . 30237 1 369 . 1 1 36 36 VAL HG23 H 1 0.909 0 . . . . . . A 36 VAL HG23 . 30237 1 370 . 1 1 36 36 VAL C C 13 179.208 0 . . . . . . A 36 VAL C . 30237 1 371 . 1 1 36 36 VAL CA C 13 66.026 0 . . . . . . A 36 VAL CA . 30237 1 372 . 1 1 36 36 VAL CB C 13 31.945 0 . . . . . . A 36 VAL CB . 30237 1 373 . 1 1 36 36 VAL CG1 C 13 23.229 0 . . . . . . A 36 VAL CG1 . 30237 1 374 . 1 1 36 36 VAL CG2 C 13 21.406 0 . . . . . . A 36 VAL CG2 . 30237 1 375 . 1 1 36 36 VAL N N 15 117.445 0 . . . . . . A 36 VAL N . 30237 1 376 . 1 1 37 37 LEU H H 1 8.124 0 . . . . . . A 37 LEU H . 30237 1 377 . 1 1 37 37 LEU HA H 1 4.331 0 . . . . . . A 37 LEU HA . 30237 1 378 . 1 1 37 37 LEU HB2 H 1 1.625 0 . . . . . . A 37 LEU HB2 . 30237 1 379 . 1 1 37 37 LEU HB3 H 1 2.175 0 . . . . . . A 37 LEU HB3 . 30237 1 380 . 1 1 37 37 LEU HG H 1 1.675 0 . . . . . . A 37 LEU HG . 30237 1 381 . 1 1 37 37 LEU HD11 H 1 0.683 0 . . . . . . A 37 LEU HD11 . 30237 1 382 . 1 1 37 37 LEU HD12 H 1 0.683 0 . . . . . . A 37 LEU HD12 . 30237 1 383 . 1 1 37 37 LEU HD13 H 1 0.683 0 . . . . . . A 37 LEU HD13 . 30237 1 384 . 1 1 37 37 LEU HD21 H 1 0.653 0 . . . . . . A 37 LEU HD21 . 30237 1 385 . 1 1 37 37 LEU HD22 H 1 0.653 0 . . . . . . A 37 LEU HD22 . 30237 1 386 . 1 1 37 37 LEU HD23 H 1 0.653 0 . . . . . . A 37 LEU HD23 . 30237 1 387 . 1 1 37 37 LEU C C 13 179.642 0 . . . . . . A 37 LEU C . 30237 1 388 . 1 1 37 37 LEU CA C 13 59.697 0 . . . . . . A 37 LEU CA . 30237 1 389 . 1 1 37 37 LEU CB C 13 42.165 0 . . . . . . A 37 LEU CB . 30237 1 390 . 1 1 37 37 LEU CG C 13 27.248 0 . . . . . . A 37 LEU CG . 30237 1 391 . 1 1 37 37 LEU CD1 C 13 24.96 0 . . . . . . A 37 LEU CD1 . 30237 1 392 . 1 1 37 37 LEU N N 15 122.245 0 . . . . . . A 37 LEU N . 30237 1 393 . 1 1 38 38 ASP H H 1 9.074 0 . . . . . . A 38 ASP H . 30237 1 394 . 1 1 38 38 ASP HA H 1 5.012 0 . . . . . . A 38 ASP HA . 30237 1 395 . 1 1 38 38 ASP HB2 H 1 2.899 0 . . . . . . A 38 ASP HB2 . 30237 1 396 . 1 1 38 38 ASP HB3 H 1 2.883 0 . . . . . . A 38 ASP HB3 . 30237 1 397 . 1 1 38 38 ASP C C 13 177.931 0 . . . . . . A 38 ASP C . 30237 1 398 . 1 1 38 38 ASP CA C 13 56.929 0 . . . . . . A 38 ASP CA . 30237 1 399 . 1 1 38 38 ASP CB C 13 40.611 0 . . . . . . A 38 ASP CB . 30237 1 400 . 1 1 38 38 ASP N N 15 118.39 0 . . . . . . A 38 ASP N . 30237 1 401 . 1 1 39 39 SER H H 1 7.557 0 . . . . . . A 39 SER H . 30237 1 402 . 1 1 39 39 SER HA H 1 4.619 0 . . . . . . A 39 SER HA . 30237 1 403 . 1 1 39 39 SER HB2 H 1 4.181 0 . . . . . . A 39 SER HB2 . 30237 1 404 . 1 1 39 39 SER HB3 H 1 4.222 0 . . . . . . A 39 SER HB3 . 30237 1 405 . 1 1 39 39 SER C C 13 174.148 0 . . . . . . A 39 SER C . 30237 1 406 . 1 1 39 39 SER CA C 13 59.521 0 . . . . . . A 39 SER CA . 30237 1 407 . 1 1 39 39 SER CB C 13 64.188 0 . . . . . . A 39 SER CB . 30237 1 408 . 1 1 39 39 SER N N 15 112.508 0 . . . . . . A 39 SER N . 30237 1 409 . 1 1 40 40 CYS H H 1 7.561 0 . . . . . . A 40 CYS H . 30237 1 410 . 1 1 40 40 CYS HA H 1 4.719 0 . . . . . . A 40 CYS HA . 30237 1 411 . 1 1 40 40 CYS HB2 H 1 2.718 0 . . . . . . A 40 CYS HB2 . 30237 1 412 . 1 1 40 40 CYS HB3 H 1 3.067 0 . . . . . . A 40 CYS HB3 . 30237 1 413 . 1 1 40 40 CYS C C 13 173.241 0 . . . . . . A 40 CYS C . 30237 1 414 . 1 1 40 40 CYS CA C 13 59.015 0 . . . . . . A 40 CYS CA . 30237 1 415 . 1 1 40 40 CYS CB C 13 29.666 0 . . . . . . A 40 CYS CB . 30237 1 416 . 1 1 40 40 CYS N N 15 120.777 0 . . . . . . A 40 CYS N . 30237 1 417 . 1 1 41 41 ASP H H 1 8.596 0 . . . . . . A 41 ASP H . 30237 1 418 . 1 1 41 41 ASP HA H 1 4.837 0 . . . . . . A 41 ASP HA . 30237 1 419 . 1 1 41 41 ASP HB2 H 1 2.735 0 . . . . . . A 41 ASP HB2 . 30237 1 420 . 1 1 41 41 ASP C C 13 176.873 0 . . . . . . A 41 ASP C . 30237 1 421 . 1 1 41 41 ASP CA C 13 53.575 0 . . . . . . A 41 ASP CA . 30237 1 422 . 1 1 41 41 ASP CB C 13 42.664 0 . . . . . . A 41 ASP CB . 30237 1 423 . 1 1 41 41 ASP N N 15 122.583 0 . . . . . . A 41 ASP N . 30237 1 424 . 1 1 42 42 GLY H H 1 8.411 0 . . . . . . A 42 GLY H . 30237 1 425 . 1 1 42 42 GLY HA2 H 1 3.907 0 . . . . . . A 42 GLY HA2 . 30237 1 426 . 1 1 42 42 GLY HA3 H 1 3.829 0 . . . . . . A 42 GLY HA3 . 30237 1 427 . 1 1 42 42 GLY C C 13 175.872 0 . . . . . . A 42 GLY C . 30237 1 428 . 1 1 42 42 GLY CA C 13 46.296 0 . . . . . . A 42 GLY CA . 30237 1 429 . 1 1 42 42 GLY N N 15 108.864 0 . . . . . . A 42 GLY N . 30237 1 430 . 1 1 43 43 ALA H H 1 8.758 0 . . . . . . A 43 ALA H . 30237 1 431 . 1 1 43 43 ALA HA H 1 4.019 0 . . . . . . A 43 ALA HA . 30237 1 432 . 1 1 43 43 ALA HB1 H 1 1.456 0 . . . . . . A 43 ALA HB1 . 30237 1 433 . 1 1 43 43 ALA HB2 H 1 1.456 0 . . . . . . A 43 ALA HB2 . 30237 1 434 . 1 1 43 43 ALA HB3 H 1 1.456 0 . . . . . . A 43 ALA HB3 . 30237 1 435 . 1 1 43 43 ALA C C 13 177.604 0 . . . . . . A 43 ALA C . 30237 1 436 . 1 1 43 43 ALA CA C 13 54.237 0 . . . . . . A 43 ALA CA . 30237 1 437 . 1 1 43 43 ALA CB C 13 18.869 0 . . . . . . A 43 ALA CB . 30237 1 438 . 1 1 43 43 ALA N N 15 127.489 0 . . . . . . A 43 ALA N . 30237 1 439 . 1 1 44 44 LEU H H 1 7.666 0 . . . . . . A 44 LEU H . 30237 1 440 . 1 1 44 44 LEU HA H 1 4.47 0 . . . . . . A 44 LEU HA . 30237 1 441 . 1 1 44 44 LEU HB2 H 1 1.188 0 . . . . . . A 44 LEU HB2 . 30237 1 442 . 1 1 44 44 LEU HB3 H 1 1.417 0 . . . . . . A 44 LEU HB3 . 30237 1 443 . 1 1 44 44 LEU HG H 1 1.275 0 . . . . . . A 44 LEU HG . 30237 1 444 . 1 1 44 44 LEU HD11 H 1 0.79 0 . . . . . . A 44 LEU HD11 . 30237 1 445 . 1 1 44 44 LEU HD12 H 1 0.79 0 . . . . . . A 44 LEU HD12 . 30237 1 446 . 1 1 44 44 LEU HD13 H 1 0.79 0 . . . . . . A 44 LEU HD13 . 30237 1 447 . 1 1 44 44 LEU HD21 H 1 0.855 0 . . . . . . A 44 LEU HD21 . 30237 1 448 . 1 1 44 44 LEU HD22 H 1 0.855 0 . . . . . . A 44 LEU HD22 . 30237 1 449 . 1 1 44 44 LEU HD23 H 1 0.855 0 . . . . . . A 44 LEU HD23 . 30237 1 450 . 1 1 44 44 LEU C C 13 176.16 0 . . . . . . A 44 LEU C . 30237 1 451 . 1 1 44 44 LEU CA C 13 54.282 0 . . . . . . A 44 LEU CA . 30237 1 452 . 1 1 44 44 LEU CB C 13 42.176 0 . . . . . . A 44 LEU CB . 30237 1 453 . 1 1 44 44 LEU CG C 13 27.033 0 . . . . . . A 44 LEU CG . 30237 1 454 . 1 1 44 44 LEU CD1 C 13 25.289 0 . . . . . . A 44 LEU CD1 . 30237 1 455 . 1 1 44 44 LEU CD2 C 13 23.717 0 . . . . . . A 44 LEU CD2 . 30237 1 456 . 1 1 44 44 LEU N N 15 114.866 0 . . . . . . A 44 LEU N . 30237 1 457 . 1 1 45 45 GLY H H 1 7.336 0 . . . . . . A 45 GLY H . 30237 1 458 . 1 1 45 45 GLY HA2 H 1 3.907 0 . . . . . . A 45 GLY HA2 . 30237 1 459 . 1 1 45 45 GLY C C 13 175.55 0 . . . . . . A 45 GLY C . 30237 1 460 . 1 1 45 45 GLY CA C 13 44.472 0 . . . . . . A 45 GLY CA . 30237 1 461 . 1 1 45 45 GLY N N 15 106.178 0 . . . . . . A 45 GLY N . 30237 1 462 . 1 1 46 46 TRP H H 1 8.359 0 . . . . . . A 46 TRP H . 30237 1 463 . 1 1 46 46 TRP HA H 1 4.137 0 . . . . . . A 46 TRP HA . 30237 1 464 . 1 1 46 46 TRP HB2 H 1 3.238 0 . . . . . . A 46 TRP HB2 . 30237 1 465 . 1 1 46 46 TRP HB3 H 1 3.519 0 . . . . . . A 46 TRP HB3 . 30237 1 466 . 1 1 46 46 TRP HD1 H 1 7.696 0 . . . . . . A 46 TRP HD1 . 30237 1 467 . 1 1 46 46 TRP HE1 H 1 10.288 0 . . . . . . A 46 TRP HE1 . 30237 1 468 . 1 1 46 46 TRP C C 13 177.747 0 . . . . . . A 46 TRP C . 30237 1 469 . 1 1 46 46 TRP CA C 13 60.353 0 . . . . . . A 46 TRP CA . 30237 1 470 . 1 1 46 46 TRP CB C 13 27.761 0 . . . . . . A 46 TRP CB . 30237 1 471 . 1 1 46 46 TRP CD1 C 13 126.77 0 . . . . . . A 46 TRP CD1 . 30237 1 472 . 1 1 46 46 TRP N N 15 120.247 0 . . . . . . A 46 TRP N . 30237 1 473 . 1 1 46 46 TRP NE1 N 15 129.17 0 . . . . . . A 46 TRP NE1 . 30237 1 474 . 1 1 47 47 ARG H H 1 7.789 0 . . . . . . A 47 ARG H . 30237 1 475 . 1 1 47 47 ARG HA H 1 3.352 0 . . . . . . A 47 ARG HA . 30237 1 476 . 1 1 47 47 ARG HB2 H 1 0.9 0 . . . . . . A 47 ARG HB2 . 30237 1 477 . 1 1 47 47 ARG HB3 H 1 1.251 0 . . . . . . A 47 ARG HB3 . 30237 1 478 . 1 1 47 47 ARG HG2 H 1 1.277 0 . . . . . . A 47 ARG HG2 . 30237 1 479 . 1 1 47 47 ARG HG3 H 1 0.289 0 . . . . . . A 47 ARG HG3 . 30237 1 480 . 1 1 47 47 ARG HD2 H 1 2.697 0 . . . . . . A 47 ARG HD2 . 30237 1 481 . 1 1 47 47 ARG HD3 H 1 2.686 0 . . . . . . A 47 ARG HD3 . 30237 1 482 . 1 1 47 47 ARG C C 13 179.512 0 . . . . . . A 47 ARG C . 30237 1 483 . 1 1 47 47 ARG CA C 13 60.074 0 . . . . . . A 47 ARG CA . 30237 1 484 . 1 1 47 47 ARG CB C 13 28.833 0 . . . . . . A 47 ARG CB . 30237 1 485 . 1 1 47 47 ARG CG C 13 27.241 0 . . . . . . A 47 ARG CG . 30237 1 486 . 1 1 47 47 ARG CD C 13 42.759 0 . . . . . . A 47 ARG CD . 30237 1 487 . 1 1 47 47 ARG N N 15 122.026 0 . . . . . . A 47 ARG N . 30237 1 488 . 1 1 48 48 GLY H H 1 7.317 0 . . . . . . A 48 GLY H . 30237 1 489 . 1 1 48 48 GLY HA2 H 1 3.813 0 . . . . . . A 48 GLY HA2 . 30237 1 490 . 1 1 48 48 GLY C C 13 176.796 0 . . . . . . A 48 GLY C . 30237 1 491 . 1 1 48 48 GLY CA C 13 46.406 0 . . . . . . A 48 GLY CA . 30237 1 492 . 1 1 48 48 GLY N N 15 107.996 0 . . . . . . A 48 GLY N . 30237 1 493 . 1 1 49 49 LEU H H 1 7.807 0 . . . . . . A 49 LEU H . 30237 1 494 . 1 1 49 49 LEU HA H 1 4.1 0 . . . . . . A 49 LEU HA . 30237 1 495 . 1 1 49 49 LEU HB2 H 1 1.357 0 . . . . . . A 49 LEU HB2 . 30237 1 496 . 1 1 49 49 LEU HB3 H 1 1.341 0 . . . . . . A 49 LEU HB3 . 30237 1 497 . 1 1 49 49 LEU HG H 1 1.422 0 . . . . . . A 49 LEU HG . 30237 1 498 . 1 1 49 49 LEU HD11 H 1 0.776 0 . . . . . . A 49 LEU HD11 . 30237 1 499 . 1 1 49 49 LEU HD12 H 1 0.776 0 . . . . . . A 49 LEU HD12 . 30237 1 500 . 1 1 49 49 LEU HD13 H 1 0.776 0 . . . . . . A 49 LEU HD13 . 30237 1 501 . 1 1 49 49 LEU HD21 H 1 0.756 0 . . . . . . A 49 LEU HD21 . 30237 1 502 . 1 1 49 49 LEU HD22 H 1 0.756 0 . . . . . . A 49 LEU HD22 . 30237 1 503 . 1 1 49 49 LEU HD23 H 1 0.756 0 . . . . . . A 49 LEU HD23 . 30237 1 504 . 1 1 49 49 LEU C C 13 178.094 0 . . . . . . A 49 LEU C . 30237 1 505 . 1 1 49 49 LEU CA C 13 57.959 0 . . . . . . A 49 LEU CA . 30237 1 506 . 1 1 49 49 LEU CB C 13 41.703 0 . . . . . . A 49 LEU CB . 30237 1 507 . 1 1 49 49 LEU CG C 13 27.085 0 . . . . . . A 49 LEU CG . 30237 1 508 . 1 1 49 49 LEU CD1 C 13 24.31 0 . . . . . . A 49 LEU CD1 . 30237 1 509 . 1 1 49 49 LEU CD2 C 13 25.802 0 . . . . . . A 49 LEU CD2 . 30237 1 510 . 1 1 49 49 LEU N N 15 123.579 0 . . . . . . A 49 LEU N . 30237 1 511 . 1 1 50 50 ALA H H 1 8.776 0 . . . . . . A 50 ALA H . 30237 1 512 . 1 1 50 50 ALA HA H 1 3.854 0 . . . . . . A 50 ALA HA . 30237 1 513 . 1 1 50 50 ALA HB1 H 1 1.587 0 . . . . . . A 50 ALA HB1 . 30237 1 514 . 1 1 50 50 ALA HB2 H 1 1.587 0 . . . . . . A 50 ALA HB2 . 30237 1 515 . 1 1 50 50 ALA HB3 H 1 1.587 0 . . . . . . A 50 ALA HB3 . 30237 1 516 . 1 1 50 50 ALA C C 13 179.875 0 . . . . . . A 50 ALA C . 30237 1 517 . 1 1 50 50 ALA CA C 13 55.455 0 . . . . . . A 50 ALA CA . 30237 1 518 . 1 1 50 50 ALA CB C 13 18.076 0 . . . . . . A 50 ALA CB . 30237 1 519 . 1 1 50 50 ALA N N 15 120.323 0 . . . . . . A 50 ALA N . 30237 1 520 . 1 1 51 51 GLU H H 1 7.595 0 . . . . . . A 51 GLU H . 30237 1 521 . 1 1 51 51 GLU HA H 1 4.148 0 . . . . . . A 51 GLU HA . 30237 1 522 . 1 1 51 51 GLU HB2 H 1 2.09 0 . . . . . . A 51 GLU HB2 . 30237 1 523 . 1 1 51 51 GLU HB3 H 1 2.149 0 . . . . . . A 51 GLU HB3 . 30237 1 524 . 1 1 51 51 GLU HG2 H 1 2.112 0 . . . . . . A 51 GLU HG2 . 30237 1 525 . 1 1 51 51 GLU HG3 H 1 2.435 0 . . . . . . A 51 GLU HG3 . 30237 1 526 . 1 1 51 51 GLU C C 13 179.146 0 . . . . . . A 51 GLU C . 30237 1 527 . 1 1 51 51 GLU CA C 13 59.078 0 . . . . . . A 51 GLU CA . 30237 1 528 . 1 1 51 51 GLU CB C 13 29.69 0 . . . . . . A 51 GLU CB . 30237 1 529 . 1 1 51 51 GLU CG C 13 36.159 0 . . . . . . A 51 GLU CG . 30237 1 530 . 1 1 51 51 GLU N N 15 116.425 0 . . . . . . A 51 GLU N . 30237 1 531 . 1 1 52 52 ARG H H 1 7.546 0 . . . . . . A 52 ARG H . 30237 1 532 . 1 1 52 52 ARG HA H 1 4.231 0 . . . . . . A 52 ARG HA . 30237 1 533 . 1 1 52 52 ARG HB3 H 1 1.923 0 . . . . . . A 52 ARG HB3 . 30237 1 534 . 1 1 52 52 ARG HG2 H 1 1.865 0 . . . . . . A 52 ARG HG2 . 30237 1 535 . 1 1 52 52 ARG HG3 H 1 1.852 0 . . . . . . A 52 ARG HG3 . 30237 1 536 . 1 1 52 52 ARG HD2 H 1 3.241 0 . . . . . . A 52 ARG HD2 . 30237 1 537 . 1 1 52 52 ARG C C 13 177.824 0 . . . . . . A 52 ARG C . 30237 1 538 . 1 1 52 52 ARG CA C 13 57.35 0 . . . . . . A 52 ARG CA . 30237 1 539 . 1 1 52 52 ARG CB C 13 30.275 0 . . . . . . A 52 ARG CB . 30237 1 540 . 1 1 52 52 ARG CG C 13 27.565 0 . . . . . . A 52 ARG CG . 30237 1 541 . 1 1 52 52 ARG CD C 13 43.349 0 . . . . . . A 52 ARG CD . 30237 1 542 . 1 1 52 52 ARG N N 15 117.86 0 . . . . . . A 52 ARG N . 30237 1 543 . 1 1 53 53 LEU H H 1 7.829 0 . . . . . . A 53 LEU H . 30237 1 544 . 1 1 53 53 LEU HA H 1 4.105 0 . . . . . . A 53 LEU HA . 30237 1 545 . 1 1 53 53 LEU HB2 H 1 1.392 0 . . . . . . A 53 LEU HB2 . 30237 1 546 . 1 1 53 53 LEU HB3 H 1 1.155 0 . . . . . . A 53 LEU HB3 . 30237 1 547 . 1 1 53 53 LEU HG H 1 1.221 0 . . . . . . A 53 LEU HG . 30237 1 548 . 1 1 53 53 LEU HD11 H 1 -0.185 0 . . . . . . A 53 LEU HD11 . 30237 1 549 . 1 1 53 53 LEU HD12 H 1 -0.185 0 . . . . . . A 53 LEU HD12 . 30237 1 550 . 1 1 53 53 LEU HD13 H 1 -0.185 0 . . . . . . A 53 LEU HD13 . 30237 1 551 . 1 1 53 53 LEU HD21 H 1 -0.099 0 . . . . . . A 53 LEU HD21 . 30237 1 552 . 1 1 53 53 LEU HD22 H 1 -0.099 0 . . . . . . A 53 LEU HD22 . 30237 1 553 . 1 1 53 53 LEU HD23 H 1 -0.099 0 . . . . . . A 53 LEU HD23 . 30237 1 554 . 1 1 53 53 LEU C C 13 177.026 0 . . . . . . A 53 LEU C . 30237 1 555 . 1 1 53 53 LEU CA C 13 55.284 0 . . . . . . A 53 LEU CA . 30237 1 556 . 1 1 53 53 LEU CB C 13 41.231 0 . . . . . . A 53 LEU CB . 30237 1 557 . 1 1 53 53 LEU CG C 13 25.662 0 . . . . . . A 53 LEU CG . 30237 1 558 . 1 1 53 53 LEU CD1 C 13 21.573 0 . . . . . . A 53 LEU CD1 . 30237 1 559 . 1 1 53 53 LEU CD2 C 13 23.613 0 . . . . . . A 53 LEU CD2 . 30237 1 560 . 1 1 53 53 LEU N N 15 118.635 0 . . . . . . A 53 LEU N . 30237 1 561 . 1 1 54 54 SER H H 1 7.667 0 . . . . . . A 54 SER H . 30237 1 562 . 1 1 54 54 SER HB2 H 1 3.771 0 . . . . . . A 54 SER HB2 . 30237 1 563 . 1 1 54 54 SER CB C 13 62.568 0 . . . . . . A 54 SER CB . 30237 1 564 . 1 1 54 54 SER N N 15 113.43 0 . . . . . . A 54 SER N . 30237 1 565 . 1 1 55 55 SER HA H 1 4.233 0 . . . . . . A 55 SER HA . 30237 1 566 . 1 1 55 55 SER HB2 H 1 4 0 . . . . . . A 55 SER HB2 . 30237 1 567 . 1 1 55 55 SER HB3 H 1 4.044 0 . . . . . . A 55 SER HB3 . 30237 1 568 . 1 1 55 55 SER C C 13 174.824 0 . . . . . . A 55 SER C . 30237 1 569 . 1 1 55 55 SER CA C 13 59.319 0 . . . . . . A 55 SER CA . 30237 1 570 . 1 1 55 55 SER CB C 13 62.945 0 . . . . . . A 55 SER CB . 30237 1 571 . 1 1 56 56 SER H H 1 8.255 0 . . . . . . A 56 SER H . 30237 1 572 . 1 1 56 56 SER C C 13 174.646 0 . . . . . . A 56 SER C . 30237 1 573 . 1 1 56 56 SER CA C 13 58.509 0 . . . . . . A 56 SER CA . 30237 1 574 . 1 1 56 56 SER CB C 13 63.879 0 . . . . . . A 56 SER CB . 30237 1 575 . 1 1 56 56 SER N N 15 116.932 0 . . . . . . A 56 SER N . 30237 1 576 . 1 1 57 57 TRP H H 1 8.384 0 . . . . . . A 57 TRP H . 30237 1 577 . 1 1 57 57 TRP HA H 1 4.659 0 . . . . . . A 57 TRP HA . 30237 1 578 . 1 1 57 57 TRP HB2 H 1 3.316 0 . . . . . . A 57 TRP HB2 . 30237 1 579 . 1 1 57 57 TRP HB3 H 1 3.5 0 . . . . . . A 57 TRP HB3 . 30237 1 580 . 1 1 57 57 TRP HD1 H 1 7.382 0 . . . . . . A 57 TRP HD1 . 30237 1 581 . 1 1 57 57 TRP HE1 H 1 10.28 0 . . . . . . A 57 TRP HE1 . 30237 1 582 . 1 1 57 57 TRP HH2 H 1 7.114 0 . . . . . . A 57 TRP HH2 . 30237 1 583 . 1 1 57 57 TRP CA C 13 56.769 0 . . . . . . A 57 TRP CA . 30237 1 584 . 1 1 57 57 TRP CD1 C 13 126.262 0 . . . . . . A 57 TRP CD1 . 30237 1 585 . 1 1 57 57 TRP CH2 C 13 123.396 0 . . . . . . A 57 TRP CH2 . 30237 1 586 . 1 1 57 57 TRP N N 15 123.289 0 . . . . . . A 57 TRP N . 30237 1 587 . 1 1 57 57 TRP NE1 N 15 129.696 0 . . . . . . A 57 TRP NE1 . 30237 1 588 . 1 1 58 58 LEU H H 1 8.333 0 . . . . . . A 58 LEU H . 30237 1 589 . 1 1 58 58 LEU HA H 1 4.434 0 . . . . . . A 58 LEU HA . 30237 1 590 . 1 1 58 58 LEU HB2 H 1 1.613 0 . . . . . . A 58 LEU HB2 . 30237 1 591 . 1 1 58 58 LEU HD11 H 1 0.864 0 . . . . . . A 58 LEU HD11 . 30237 1 592 . 1 1 58 58 LEU HD12 H 1 0.864 0 . . . . . . A 58 LEU HD12 . 30237 1 593 . 1 1 58 58 LEU HD13 H 1 0.864 0 . . . . . . A 58 LEU HD13 . 30237 1 594 . 1 1 58 58 LEU HD21 H 1 0.932 0 . . . . . . A 58 LEU HD21 . 30237 1 595 . 1 1 58 58 LEU HD22 H 1 0.932 0 . . . . . . A 58 LEU HD22 . 30237 1 596 . 1 1 58 58 LEU HD23 H 1 0.932 0 . . . . . . A 58 LEU HD23 . 30237 1 597 . 1 1 58 58 LEU C C 13 176.106 0 . . . . . . A 58 LEU C . 30237 1 598 . 1 1 58 58 LEU CA C 13 54.869 0 . . . . . . A 58 LEU CA . 30237 1 599 . 1 1 58 58 LEU CB C 13 42.595 0 . . . . . . A 58 LEU CB . 30237 1 600 . 1 1 58 58 LEU CD1 C 13 23.62 0 . . . . . . A 58 LEU CD1 . 30237 1 601 . 1 1 58 58 LEU CD2 C 13 23.497 0 . . . . . . A 58 LEU CD2 . 30237 1 602 . 1 1 58 58 LEU N N 15 125.954 0 . . . . . . A 58 LEU N . 30237 1 603 . 1 1 59 59 ASP H H 1 8.01 0 . . . . . . A 59 ASP H . 30237 1 604 . 1 1 59 59 ASP HA H 1 4.533 0 . . . . . . A 59 ASP HA . 30237 1 605 . 1 1 59 59 ASP HB2 H 1 2.762 0 . . . . . . A 59 ASP HB2 . 30237 1 606 . 1 1 59 59 ASP C C 13 177.419 0 . . . . . . A 59 ASP C . 30237 1 607 . 1 1 59 59 ASP CA C 13 58.068 0 . . . . . . A 59 ASP CA . 30237 1 608 . 1 1 59 59 ASP CB C 13 42.371 0 . . . . . . A 59 ASP CB . 30237 1 609 . 1 1 59 59 ASP N N 15 116.655 0 . . . . . . A 59 ASP N . 30237 1 610 . 1 1 60 60 VAL H H 1 8.157 0 . . . . . . A 60 VAL H . 30237 1 611 . 1 1 60 60 VAL HA H 1 3.807 0 . . . . . . A 60 VAL HA . 30237 1 612 . 1 1 60 60 VAL HB H 1 2.23 0 . . . . . . A 60 VAL HB . 30237 1 613 . 1 1 60 60 VAL HG11 H 1 1.064 0 . . . . . . A 60 VAL HG11 . 30237 1 614 . 1 1 60 60 VAL HG12 H 1 1.064 0 . . . . . . A 60 VAL HG12 . 30237 1 615 . 1 1 60 60 VAL HG13 H 1 1.064 0 . . . . . . A 60 VAL HG13 . 30237 1 616 . 1 1 60 60 VAL C C 13 177.198 0 . . . . . . A 60 VAL C . 30237 1 617 . 1 1 60 60 VAL CA C 13 66.14 0 . . . . . . A 60 VAL CA . 30237 1 618 . 1 1 60 60 VAL CB C 13 31.839 0 . . . . . . A 60 VAL CB . 30237 1 619 . 1 1 60 60 VAL CG1 C 13 22.313 0 . . . . . . A 60 VAL CG1 . 30237 1 620 . 1 1 60 60 VAL CG2 C 13 21.454 0 . . . . . . A 60 VAL CG2 . 30237 1 621 . 1 1 60 60 VAL N N 15 121.552 0 . . . . . . A 60 VAL N . 30237 1 622 . 1 1 61 61 ASP H H 1 8.283 0 . . . . . . A 61 ASP H . 30237 1 623 . 1 1 61 61 ASP HA H 1 4.445 0 . . . . . . A 61 ASP HA . 30237 1 624 . 1 1 61 61 ASP HB2 H 1 2.659 0 . . . . . . A 61 ASP HB2 . 30237 1 625 . 1 1 61 61 ASP C C 13 178.123 0 . . . . . . A 61 ASP C . 30237 1 626 . 1 1 61 61 ASP CA C 13 57.505 0 . . . . . . A 61 ASP CA . 30237 1 627 . 1 1 61 61 ASP CB C 13 41.334 0 . . . . . . A 61 ASP CB . 30237 1 628 . 1 1 61 61 ASP N N 15 120.8 0 . . . . . . A 61 ASP N . 30237 1 629 . 1 1 62 62 HIS H H 1 7.948 0 . . . . . . A 62 HIS H . 30237 1 630 . 1 1 62 62 HIS HA H 1 4.378 0 . . . . . . A 62 HIS HA . 30237 1 631 . 1 1 62 62 HIS HB2 H 1 3.371 0 . . . . . . A 62 HIS HB2 . 30237 1 632 . 1 1 62 62 HIS HD2 H 1 7.139 0 . . . . . . A 62 HIS HD2 . 30237 1 633 . 1 1 62 62 HIS C C 13 176.981 0 . . . . . . A 62 HIS C . 30237 1 634 . 1 1 62 62 HIS CA C 13 59 0 . . . . . . A 62 HIS CA . 30237 1 635 . 1 1 62 62 HIS CB C 13 29.247 0 . . . . . . A 62 HIS CB . 30237 1 636 . 1 1 62 62 HIS CD2 C 13 118.421 0 . . . . . . A 62 HIS CD2 . 30237 1 637 . 1 1 62 62 HIS N N 15 117.36 0 . . . . . . A 62 HIS N . 30237 1 638 . 1 1 63 63 ILE H H 1 7.863 0 . . . . . . A 63 ILE H . 30237 1 639 . 1 1 63 63 ILE HA H 1 3.368 0 . . . . . . A 63 ILE HA . 30237 1 640 . 1 1 63 63 ILE HB H 1 1.917 0 . . . . . . A 63 ILE HB . 30237 1 641 . 1 1 63 63 ILE HG12 H 1 1.75 0 . . . . . . A 63 ILE HG12 . 30237 1 642 . 1 1 63 63 ILE HG13 H 1 1.069 0 . . . . . . A 63 ILE HG13 . 30237 1 643 . 1 1 63 63 ILE HG21 H 1 0.224 0 . . . . . . A 63 ILE HG21 . 30237 1 644 . 1 1 63 63 ILE HG22 H 1 0.224 0 . . . . . . A 63 ILE HG22 . 30237 1 645 . 1 1 63 63 ILE HG23 H 1 0.224 0 . . . . . . A 63 ILE HG23 . 30237 1 646 . 1 1 63 63 ILE HD11 H 1 0.818 0 . . . . . . A 63 ILE HD11 . 30237 1 647 . 1 1 63 63 ILE HD12 H 1 0.818 0 . . . . . . A 63 ILE HD12 . 30237 1 648 . 1 1 63 63 ILE HD13 H 1 0.818 0 . . . . . . A 63 ILE HD13 . 30237 1 649 . 1 1 63 63 ILE C C 13 177.618 0 . . . . . . A 63 ILE C . 30237 1 650 . 1 1 63 63 ILE CA C 13 64.831 0 . . . . . . A 63 ILE CA . 30237 1 651 . 1 1 63 63 ILE CB C 13 37.206 0 . . . . . . A 63 ILE CB . 30237 1 652 . 1 1 63 63 ILE CG1 C 13 27.224 0 . . . . . . A 63 ILE CG1 . 30237 1 653 . 1 1 63 63 ILE CG2 C 13 18.207 0 . . . . . . A 63 ILE CG2 . 30237 1 654 . 1 1 63 63 ILE CD1 C 13 12.661 0 . . . . . . A 63 ILE CD1 . 30237 1 655 . 1 1 63 63 ILE N N 15 119.704 0 . . . . . . A 63 ILE N . 30237 1 656 . 1 1 64 64 GLU H H 1 8.673 0 . . . . . . A 64 GLU H . 30237 1 657 . 1 1 64 64 GLU HA H 1 4.061 0 . . . . . . A 64 GLU HA . 30237 1 658 . 1 1 64 64 GLU HB2 H 1 2.16 0 . . . . . . A 64 GLU HB2 . 30237 1 659 . 1 1 64 64 GLU HG2 H 1 2.312 0 . . . . . . A 64 GLU HG2 . 30237 1 660 . 1 1 64 64 GLU C C 13 178.802 0 . . . . . . A 64 GLU C . 30237 1 661 . 1 1 64 64 GLU CA C 13 59.845 0 . . . . . . A 64 GLU CA . 30237 1 662 . 1 1 64 64 GLU CB C 13 29.583 0 . . . . . . A 64 GLU CB . 30237 1 663 . 1 1 64 64 GLU CG C 13 36.466 0 . . . . . . A 64 GLU CG . 30237 1 664 . 1 1 64 64 GLU N N 15 120.039 0 . . . . . . A 64 GLU N . 30237 1 665 . 1 1 65 65 LYS H H 1 7.694 0 . . . . . . A 65 LYS H . 30237 1 666 . 1 1 65 65 LYS HA H 1 4.17 0 . . . . . . A 65 LYS HA . 30237 1 667 . 1 1 65 65 LYS HB2 H 1 1.933 0 . . . . . . A 65 LYS HB2 . 30237 1 668 . 1 1 65 65 LYS HG2 H 1 1.433 0 . . . . . . A 65 LYS HG2 . 30237 1 669 . 1 1 65 65 LYS HD2 H 1 1.696 0 . . . . . . A 65 LYS HD2 . 30237 1 670 . 1 1 65 65 LYS HD3 H 1 1.724 0 . . . . . . A 65 LYS HD3 . 30237 1 671 . 1 1 65 65 LYS HE3 H 1 3.025 0 . . . . . . A 65 LYS HE3 . 30237 1 672 . 1 1 65 65 LYS C C 13 179.39 0 . . . . . . A 65 LYS C . 30237 1 673 . 1 1 65 65 LYS CA C 13 58.954 0 . . . . . . A 65 LYS CA . 30237 1 674 . 1 1 65 65 LYS CB C 13 32.236 0 . . . . . . A 65 LYS CB . 30237 1 675 . 1 1 65 65 LYS CG C 13 24.761 0 . . . . . . A 65 LYS CG . 30237 1 676 . 1 1 65 65 LYS CD C 13 28.923 0 . . . . . . A 65 LYS CD . 30237 1 677 . 1 1 65 65 LYS CE C 13 42.314 0 . . . . . . A 65 LYS CE . 30237 1 678 . 1 1 65 65 LYS N N 15 118.489 0 . . . . . . A 65 LYS N . 30237 1 679 . 1 1 66 66 GLU H H 1 7.721 0 . . . . . . A 66 GLU H . 30237 1 680 . 1 1 66 66 GLU HA H 1 4.212 0 . . . . . . A 66 GLU HA . 30237 1 681 . 1 1 66 66 GLU HB2 H 1 1.98 0 . . . . . . A 66 GLU HB2 . 30237 1 682 . 1 1 66 66 GLU HG2 H 1 2.185 0 . . . . . . A 66 GLU HG2 . 30237 1 683 . 1 1 66 66 GLU HG3 H 1 2.138 0 . . . . . . A 66 GLU HG3 . 30237 1 684 . 1 1 66 66 GLU C C 13 179.423 0 . . . . . . A 66 GLU C . 30237 1 685 . 1 1 66 66 GLU CA C 13 59.252 0 . . . . . . A 66 GLU CA . 30237 1 686 . 1 1 66 66 GLU CB C 13 28.419 0 . . . . . . A 66 GLU CB . 30237 1 687 . 1 1 66 66 GLU CG C 13 36.092 0 . . . . . . A 66 GLU CG . 30237 1 688 . 1 1 66 66 GLU N N 15 119.905 0 . . . . . . A 66 GLU N . 30237 1 689 . 1 1 67 67 VAL H H 1 8.5 0 . . . . . . A 67 VAL H . 30237 1 690 . 1 1 67 67 VAL HA H 1 4.148 0 . . . . . . A 67 VAL HA . 30237 1 691 . 1 1 67 67 VAL HB H 1 2.071 0 . . . . . . A 67 VAL HB . 30237 1 692 . 1 1 67 67 VAL HG11 H 1 1.051 0 . . . . . . A 67 VAL HG11 . 30237 1 693 . 1 1 67 67 VAL HG12 H 1 1.051 0 . . . . . . A 67 VAL HG12 . 30237 1 694 . 1 1 67 67 VAL HG13 H 1 1.051 0 . . . . . . A 67 VAL HG13 . 30237 1 695 . 1 1 67 67 VAL HG21 H 1 0.924 0 . . . . . . A 67 VAL HG21 . 30237 1 696 . 1 1 67 67 VAL HG22 H 1 0.924 0 . . . . . . A 67 VAL HG22 . 30237 1 697 . 1 1 67 67 VAL HG23 H 1 0.924 0 . . . . . . A 67 VAL HG23 . 30237 1 698 . 1 1 67 67 VAL C C 13 180.817 0 . . . . . . A 67 VAL C . 30237 1 699 . 1 1 67 67 VAL CA C 13 65.176 0 . . . . . . A 67 VAL CA . 30237 1 700 . 1 1 67 67 VAL CG1 C 13 21.263 0 . . . . . . A 67 VAL CG1 . 30237 1 701 . 1 1 67 67 VAL CG2 C 13 21.144 0 . . . . . . A 67 VAL CG2 . 30237 1 702 . 1 1 67 67 VAL N N 15 123.269 0 . . . . . . A 67 VAL N . 30237 1 703 . 1 1 68 68 ASP H H 1 8.244 0 . . . . . . A 68 ASP H . 30237 1 704 . 1 1 68 68 ASP HA H 1 4.575 0 . . . . . . A 68 ASP HA . 30237 1 705 . 1 1 68 68 ASP HB2 H 1 2.877 0 . . . . . . A 68 ASP HB2 . 30237 1 706 . 1 1 68 68 ASP HB3 H 1 2.806 0 . . . . . . A 68 ASP HB3 . 30237 1 707 . 1 1 68 68 ASP C C 13 177.468 0 . . . . . . A 68 ASP C . 30237 1 708 . 1 1 68 68 ASP CA C 13 56.91 0 . . . . . . A 68 ASP CA . 30237 1 709 . 1 1 68 68 ASP CB C 13 40.997 0 . . . . . . A 68 ASP CB . 30237 1 710 . 1 1 68 68 ASP N N 15 122.538 0 . . . . . . A 68 ASP N . 30237 1 711 . 1 1 69 69 GLN H H 1 7.496 0 . . . . . . A 69 GLN H . 30237 1 712 . 1 1 69 69 GLN HA H 1 4.435 0 . . . . . . A 69 GLN HA . 30237 1 713 . 1 1 69 69 GLN HB2 H 1 2.123 0 . . . . . . A 69 GLN HB2 . 30237 1 714 . 1 1 69 69 GLN HG2 H 1 2.467 0 . . . . . . A 69 GLN HG2 . 30237 1 715 . 1 1 69 69 GLN HE21 H 1 7.362 0 . . . . . . A 69 GLN HE21 . 30237 1 716 . 1 1 69 69 GLN HE22 H 1 6.831 0 . . . . . . A 69 GLN HE22 . 30237 1 717 . 1 1 69 69 GLN C C 13 176.277 0 . . . . . . A 69 GLN C . 30237 1 718 . 1 1 69 69 GLN CA C 13 55.581 0 . . . . . . A 69 GLN CA . 30237 1 719 . 1 1 69 69 GLN CB C 13 29.187 0 . . . . . . A 69 GLN CB . 30237 1 720 . 1 1 69 69 GLN CG C 13 34.089 0 . . . . . . A 69 GLN CG . 30237 1 721 . 1 1 69 69 GLN N N 15 116.239 0 . . . . . . A 69 GLN N . 30237 1 722 . 1 1 69 69 GLN NE2 N 15 112.318 0 . . . . . . A 69 GLN NE2 . 30237 1 723 . 1 1 70 70 GLY H H 1 8.19 0 . . . . . . A 70 GLY H . 30237 1 724 . 1 1 70 70 GLY HA2 H 1 4.295 0 . . . . . . A 70 GLY HA2 . 30237 1 725 . 1 1 70 70 GLY HA3 H 1 4.004 0 . . . . . . A 70 GLY HA3 . 30237 1 726 . 1 1 70 70 GLY C C 13 174.801 0 . . . . . . A 70 GLY C . 30237 1 727 . 1 1 70 70 GLY CA C 13 45.413 0 . . . . . . A 70 GLY CA . 30237 1 728 . 1 1 70 70 GLY N N 15 107.957 0 . . . . . . A 70 GLY N . 30237 1 729 . 1 1 71 71 LYS H H 1 7.712 0 . . . . . . A 71 LYS H . 30237 1 730 . 1 1 71 71 LYS HA H 1 4.346 0 . . . . . . A 71 LYS HA . 30237 1 731 . 1 1 71 71 LYS HB2 H 1 1.33 0 . . . . . . A 71 LYS HB2 . 30237 1 732 . 1 1 71 71 LYS HB3 H 1 1.316 0 . . . . . . A 71 LYS HB3 . 30237 1 733 . 1 1 71 71 LYS HG2 H 1 1.323 0 . . . . . . A 71 LYS HG2 . 30237 1 734 . 1 1 71 71 LYS HG3 H 1 1.396 0 . . . . . . A 71 LYS HG3 . 30237 1 735 . 1 1 71 71 LYS HD2 H 1 1.601 0 . . . . . . A 71 LYS HD2 . 30237 1 736 . 1 1 71 71 LYS HE2 H 1 2.895 0 . . . . . . A 71 LYS HE2 . 30237 1 737 . 1 1 71 71 LYS HE3 H 1 2.918 0 . . . . . . A 71 LYS HE3 . 30237 1 738 . 1 1 71 71 LYS C C 13 175.686 0 . . . . . . A 71 LYS C . 30237 1 739 . 1 1 71 71 LYS CA C 13 55.583 0 . . . . . . A 71 LYS CA . 30237 1 740 . 1 1 71 71 LYS CB C 13 32.971 0 . . . . . . A 71 LYS CB . 30237 1 741 . 1 1 71 71 LYS CG C 13 25.51 0 . . . . . . A 71 LYS CG . 30237 1 742 . 1 1 71 71 LYS CD C 13 28.729 0 . . . . . . A 71 LYS CD . 30237 1 743 . 1 1 71 71 LYS CE C 13 42.342 0 . . . . . . A 71 LYS CE . 30237 1 744 . 1 1 71 71 LYS N N 15 120.133 0 . . . . . . A 71 LYS N . 30237 1 745 . 1 1 72 72 SER H H 1 8.221 0 . . . . . . A 72 SER H . 30237 1 746 . 1 1 72 72 SER HA H 1 3.76 0 . . . . . . A 72 SER HA . 30237 1 747 . 1 1 72 72 SER HB2 H 1 3.722 0 . . . . . . A 72 SER HB2 . 30237 1 748 . 1 1 72 72 SER CA C 13 62.68 0 . . . . . . A 72 SER CA . 30237 1 749 . 1 1 72 72 SER CB C 13 64.993 0 . . . . . . A 72 SER CB . 30237 1 750 . 1 1 72 72 SER N N 15 113.83 0 . . . . . . A 72 SER N . 30237 1 751 . 1 1 73 73 GLY H H 1 7.968 0 . . . . . . A 73 GLY H . 30237 1 752 . 1 1 73 73 GLY HA2 H 1 2.93 0 . . . . . . A 73 GLY HA2 . 30237 1 753 . 1 1 73 73 GLY HA3 H 1 2.285 0 . . . . . . A 73 GLY HA3 . 30237 1 754 . 1 1 73 73 GLY C C 13 174.837 0 . . . . . . A 73 GLY C . 30237 1 755 . 1 1 73 73 GLY CA C 13 46.418 0 . . . . . . A 73 GLY CA . 30237 1 756 . 1 1 73 73 GLY N N 15 118.299 0 . . . . . . A 73 GLY N . 30237 1 757 . 1 1 74 74 THR H H 1 8.953 0 . . . . . . A 74 THR H . 30237 1 758 . 1 1 74 74 THR HA H 1 3.701 0 . . . . . . A 74 THR HA . 30237 1 759 . 1 1 74 74 THR HB H 1 3.905 0 . . . . . . A 74 THR HB . 30237 1 760 . 1 1 74 74 THR HG21 H 1 1.159 0 . . . . . . A 74 THR HG21 . 30237 1 761 . 1 1 74 74 THR HG22 H 1 1.159 0 . . . . . . A 74 THR HG22 . 30237 1 762 . 1 1 74 74 THR HG23 H 1 1.159 0 . . . . . . A 74 THR HG23 . 30237 1 763 . 1 1 74 74 THR C C 13 176.234 0 . . . . . . A 74 THR C . 30237 1 764 . 1 1 74 74 THR CA C 13 68.466 0 . . . . . . A 74 THR CA . 30237 1 765 . 1 1 74 74 THR CB C 13 67.793 0 . . . . . . A 74 THR CB . 30237 1 766 . 1 1 74 74 THR CG2 C 13 23.163 0 . . . . . . A 74 THR CG2 . 30237 1 767 . 1 1 74 74 THR N N 15 118.494 0 . . . . . . A 74 THR N . 30237 1 768 . 1 1 75 75 ARG H H 1 8.602 0 . . . . . . A 75 ARG H . 30237 1 769 . 1 1 75 75 ARG HA H 1 3.719 0 . . . . . . A 75 ARG HA . 30237 1 770 . 1 1 75 75 ARG HB2 H 1 1.59 0 . . . . . . A 75 ARG HB2 . 30237 1 771 . 1 1 75 75 ARG HG2 H 1 1.57 0 . . . . . . A 75 ARG HG2 . 30237 1 772 . 1 1 75 75 ARG HD3 H 1 3.185 0 . . . . . . A 75 ARG HD3 . 30237 1 773 . 1 1 75 75 ARG C C 13 178.795 0 . . . . . . A 75 ARG C . 30237 1 774 . 1 1 75 75 ARG CA C 13 60.795 0 . . . . . . A 75 ARG CA . 30237 1 775 . 1 1 75 75 ARG CB C 13 29.948 0 . . . . . . A 75 ARG CB . 30237 1 776 . 1 1 75 75 ARG CG C 13 28.095 0 . . . . . . A 75 ARG CG . 30237 1 777 . 1 1 75 75 ARG CD C 13 43.159 0 . . . . . . A 75 ARG CD . 30237 1 778 . 1 1 75 75 ARG N N 15 123.055 0 . . . . . . A 75 ARG N . 30237 1 779 . 1 1 76 76 GLU H H 1 7.745 0 . . . . . . A 76 GLU H . 30237 1 780 . 1 1 76 76 GLU HA H 1 4.162 0 . . . . . . A 76 GLU HA . 30237 1 781 . 1 1 76 76 GLU HB2 H 1 1.94 0 . . . . . . A 76 GLU HB2 . 30237 1 782 . 1 1 76 76 GLU HB3 H 1 1.887 0 . . . . . . A 76 GLU HB3 . 30237 1 783 . 1 1 76 76 GLU HG2 H 1 2.138 0 . . . . . . A 76 GLU HG2 . 30237 1 784 . 1 1 76 76 GLU HG3 H 1 2.106 0 . . . . . . A 76 GLU HG3 . 30237 1 785 . 1 1 76 76 GLU C C 13 179.686 0 . . . . . . A 76 GLU C . 30237 1 786 . 1 1 76 76 GLU CA C 13 58.772 0 . . . . . . A 76 GLU CA . 30237 1 787 . 1 1 76 76 GLU CB C 13 30.278 0 . . . . . . A 76 GLU CB . 30237 1 788 . 1 1 76 76 GLU CG C 13 36.056 0 . . . . . . A 76 GLU CG . 30237 1 789 . 1 1 76 76 GLU N N 15 116.557 0 . . . . . . A 76 GLU N . 30237 1 790 . 1 1 77 77 LEU H H 1 8.325 0 . . . . . . A 77 LEU H . 30237 1 791 . 1 1 77 77 LEU HA H 1 3.86 0 . . . . . . A 77 LEU HA . 30237 1 792 . 1 1 77 77 LEU HB2 H 1 1.352 0 . . . . . . A 77 LEU HB2 . 30237 1 793 . 1 1 77 77 LEU HG H 1 1.26 0 . . . . . . A 77 LEU HG . 30237 1 794 . 1 1 77 77 LEU HD11 H 1 0.928 0 . . . . . . A 77 LEU HD11 . 30237 1 795 . 1 1 77 77 LEU HD12 H 1 0.928 0 . . . . . . A 77 LEU HD12 . 30237 1 796 . 1 1 77 77 LEU HD13 H 1 0.928 0 . . . . . . A 77 LEU HD13 . 30237 1 797 . 1 1 77 77 LEU HD21 H 1 0.867 0 . . . . . . A 77 LEU HD21 . 30237 1 798 . 1 1 77 77 LEU HD22 H 1 0.867 0 . . . . . . A 77 LEU HD22 . 30237 1 799 . 1 1 77 77 LEU HD23 H 1 0.867 0 . . . . . . A 77 LEU HD23 . 30237 1 800 . 1 1 77 77 LEU C C 13 179.044 0 . . . . . . A 77 LEU C . 30237 1 801 . 1 1 77 77 LEU CA C 13 58.438 0 . . . . . . A 77 LEU CA . 30237 1 802 . 1 1 77 77 LEU CB C 13 42.664 0 . . . . . . A 77 LEU CB . 30237 1 803 . 1 1 77 77 LEU CG C 13 26.695 0 . . . . . . A 77 LEU CG . 30237 1 804 . 1 1 77 77 LEU CD1 C 13 24.972 0 . . . . . . A 77 LEU CD1 . 30237 1 805 . 1 1 77 77 LEU CD2 C 13 23.621 0 . . . . . . A 77 LEU CD2 . 30237 1 806 . 1 1 77 77 LEU N N 15 121.837 0 . . . . . . A 77 LEU N . 30237 1 807 . 1 1 78 78 LEU H H 1 9.036 0 . . . . . . A 78 LEU H . 30237 1 808 . 1 1 78 78 LEU HA H 1 4.188 0 . . . . . . A 78 LEU HA . 30237 1 809 . 1 1 78 78 LEU HB2 H 1 2.09 0 . . . . . . A 78 LEU HB2 . 30237 1 810 . 1 1 78 78 LEU HB3 H 1 1.449 0 . . . . . . A 78 LEU HB3 . 30237 1 811 . 1 1 78 78 LEU HG H 1 0.725 0 . . . . . . A 78 LEU HG . 30237 1 812 . 1 1 78 78 LEU HD11 H 1 0.825 0 . . . . . . A 78 LEU HD11 . 30237 1 813 . 1 1 78 78 LEU HD12 H 1 0.825 0 . . . . . . A 78 LEU HD12 . 30237 1 814 . 1 1 78 78 LEU HD13 H 1 0.825 0 . . . . . . A 78 LEU HD13 . 30237 1 815 . 1 1 78 78 LEU HD21 H 1 0.823 0 . . . . . . A 78 LEU HD21 . 30237 1 816 . 1 1 78 78 LEU HD22 H 1 0.823 0 . . . . . . A 78 LEU HD22 . 30237 1 817 . 1 1 78 78 LEU HD23 H 1 0.823 0 . . . . . . A 78 LEU HD23 . 30237 1 818 . 1 1 78 78 LEU C C 13 179.211 0 . . . . . . A 78 LEU C . 30237 1 819 . 1 1 78 78 LEU CA C 13 58.218 0 . . . . . . A 78 LEU CA . 30237 1 820 . 1 1 78 78 LEU CB C 13 41.205 0 . . . . . . A 78 LEU CB . 30237 1 821 . 1 1 78 78 LEU CG C 13 26.022 0 . . . . . . A 78 LEU CG . 30237 1 822 . 1 1 78 78 LEU CD1 C 13 26.12 0 . . . . . . A 78 LEU CD1 . 30237 1 823 . 1 1 78 78 LEU CD2 C 13 23.088 0 . . . . . . A 78 LEU CD2 . 30237 1 824 . 1 1 78 78 LEU N N 15 117.754 0 . . . . . . A 78 LEU N . 30237 1 825 . 1 1 79 79 TRP H H 1 8.836 0 . . . . . . A 79 TRP H . 30237 1 826 . 1 1 79 79 TRP HA H 1 4.401 0 . . . . . . A 79 TRP HA . 30237 1 827 . 1 1 79 79 TRP HB2 H 1 3.394 0 . . . . . . A 79 TRP HB2 . 30237 1 828 . 1 1 79 79 TRP HB3 H 1 3.366 0 . . . . . . A 79 TRP HB3 . 30237 1 829 . 1 1 79 79 TRP HD1 H 1 7.254 0 . . . . . . A 79 TRP HD1 . 30237 1 830 . 1 1 79 79 TRP HE1 H 1 10.064 0 . . . . . . A 79 TRP HE1 . 30237 1 831 . 1 1 79 79 TRP HZ2 H 1 7.495 0 . . . . . . A 79 TRP HZ2 . 30237 1 832 . 1 1 79 79 TRP C C 13 178.498 0 . . . . . . A 79 TRP C . 30237 1 833 . 1 1 79 79 TRP CA C 13 60.357 0 . . . . . . A 79 TRP CA . 30237 1 834 . 1 1 79 79 TRP CB C 13 29.227 0 . . . . . . A 79 TRP CB . 30237 1 835 . 1 1 79 79 TRP CD1 C 13 125.912 0 . . . . . . A 79 TRP CD1 . 30237 1 836 . 1 1 79 79 TRP CZ2 C 13 113.653 0 . . . . . . A 79 TRP CZ2 . 30237 1 837 . 1 1 79 79 TRP N N 15 121.082 0 . . . . . . A 79 TRP N . 30237 1 838 . 1 1 79 79 TRP NE1 N 15 128.583 0 . . . . . . A 79 TRP NE1 . 30237 1 839 . 1 1 80 80 SER H H 1 7.978 0 . . . . . . A 80 SER H . 30237 1 840 . 1 1 80 80 SER HA H 1 4.453 0 . . . . . . A 80 SER HA . 30237 1 841 . 1 1 80 80 SER HB2 H 1 3.871 0 . . . . . . A 80 SER HB2 . 30237 1 842 . 1 1 80 80 SER C C 13 179.497 0 . . . . . . A 80 SER C . 30237 1 843 . 1 1 80 80 SER CA C 13 58.312 0 . . . . . . A 80 SER CA . 30237 1 844 . 1 1 80 80 SER CB C 13 63.844 0 . . . . . . A 80 SER CB . 30237 1 845 . 1 1 80 80 SER N N 15 113.85 0 . . . . . . A 80 SER N . 30237 1 846 . 1 1 81 81 TRP H H 1 8.513 0 . . . . . . A 81 TRP H . 30237 1 847 . 1 1 81 81 TRP HA H 1 4.501 0 . . . . . . A 81 TRP HA . 30237 1 848 . 1 1 81 81 TRP HB2 H 1 3.274 0 . . . . . . A 81 TRP HB2 . 30237 1 849 . 1 1 81 81 TRP HD1 H 1 7.296 0 . . . . . . A 81 TRP HD1 . 30237 1 850 . 1 1 81 81 TRP HE1 H 1 10.479 0 . . . . . . A 81 TRP HE1 . 30237 1 851 . 1 1 81 81 TRP C C 13 178.273 0 . . . . . . A 81 TRP C . 30237 1 852 . 1 1 81 81 TRP CA C 13 60.309 0 . . . . . . A 81 TRP CA . 30237 1 853 . 1 1 81 81 TRP CB C 13 29.122 0 . . . . . . A 81 TRP CB . 30237 1 854 . 1 1 81 81 TRP CD1 C 13 124.798 0 . . . . . . A 81 TRP CD1 . 30237 1 855 . 1 1 81 81 TRP N N 15 123.31 0 . . . . . . A 81 TRP N . 30237 1 856 . 1 1 81 81 TRP NE1 N 15 130.023 0 . . . . . . A 81 TRP NE1 . 30237 1 857 . 1 1 82 82 ALA H H 1 8.877 0 . . . . . . A 82 ALA H . 30237 1 858 . 1 1 82 82 ALA HA H 1 3.617 0 . . . . . . A 82 ALA HA . 30237 1 859 . 1 1 82 82 ALA HB1 H 1 1.149 0 . . . . . . A 82 ALA HB1 . 30237 1 860 . 1 1 82 82 ALA HB2 H 1 1.149 0 . . . . . . A 82 ALA HB2 . 30237 1 861 . 1 1 82 82 ALA HB3 H 1 1.149 0 . . . . . . A 82 ALA HB3 . 30237 1 862 . 1 1 82 82 ALA C C 13 179.407 0 . . . . . . A 82 ALA C . 30237 1 863 . 1 1 82 82 ALA CA C 13 54.4 0 . . . . . . A 82 ALA CA . 30237 1 864 . 1 1 82 82 ALA CB C 13 18.484 0 . . . . . . A 82 ALA CB . 30237 1 865 . 1 1 82 82 ALA N N 15 119.008 0 . . . . . . A 82 ALA N . 30237 1 866 . 1 1 83 83 GLN H H 1 7.372 0 . . . . . . A 83 GLN H . 30237 1 867 . 1 1 83 83 GLN HA H 1 3.801 0 . . . . . . A 83 GLN HA . 30237 1 868 . 1 1 83 83 GLN HB2 H 1 2.153 0 . . . . . . A 83 GLN HB2 . 30237 1 869 . 1 1 83 83 GLN HB3 H 1 1.975 0 . . . . . . A 83 GLN HB3 . 30237 1 870 . 1 1 83 83 GLN HG2 H 1 2.231 0 . . . . . . A 83 GLN HG2 . 30237 1 871 . 1 1 83 83 GLN HG3 H 1 2.206 0 . . . . . . A 83 GLN HG3 . 30237 1 872 . 1 1 83 83 GLN HE21 H 1 6.597 0 . . . . . . A 83 GLN HE21 . 30237 1 873 . 1 1 83 83 GLN HE22 H 1 6.228 0 . . . . . . A 83 GLN HE22 . 30237 1 874 . 1 1 83 83 GLN C C 13 176.322 0 . . . . . . A 83 GLN C . 30237 1 875 . 1 1 83 83 GLN CA C 13 57.265 0 . . . . . . A 83 GLN CA . 30237 1 876 . 1 1 83 83 GLN CB C 13 28.382 0 . . . . . . A 83 GLN CB . 30237 1 877 . 1 1 83 83 GLN CG C 13 33.543 0 . . . . . . A 83 GLN CG . 30237 1 878 . 1 1 83 83 GLN N N 15 114.025 0 . . . . . . A 83 GLN N . 30237 1 879 . 1 1 83 83 GLN NE2 N 15 111.914 0 . . . . . . A 83 GLN NE2 . 30237 1 880 . 1 1 84 84 LYS H H 1 7.427 0 . . . . . . A 84 LYS H . 30237 1 881 . 1 1 84 84 LYS HA H 1 4.436 0 . . . . . . A 84 LYS HA . 30237 1 882 . 1 1 84 84 LYS HB2 H 1 2.01 0 . . . . . . A 84 LYS HB2 . 30237 1 883 . 1 1 84 84 LYS HB3 H 1 1.981 0 . . . . . . A 84 LYS HB3 . 30237 1 884 . 1 1 84 84 LYS HG2 H 1 1.268 0 . . . . . . A 84 LYS HG2 . 30237 1 885 . 1 1 84 84 LYS HG3 H 1 1.22 0 . . . . . . A 84 LYS HG3 . 30237 1 886 . 1 1 84 84 LYS HD2 H 1 1.549 0 . . . . . . A 84 LYS HD2 . 30237 1 887 . 1 1 84 84 LYS HD3 H 1 1.527 0 . . . . . . A 84 LYS HD3 . 30237 1 888 . 1 1 84 84 LYS HE2 H 1 3.025 0 . . . . . . A 84 LYS HE2 . 30237 1 889 . 1 1 84 84 LYS C C 13 175.04 0 . . . . . . A 84 LYS C . 30237 1 890 . 1 1 84 84 LYS CA C 13 55.029 0 . . . . . . A 84 LYS CA . 30237 1 891 . 1 1 84 84 LYS CB C 13 30.684 0 . . . . . . A 84 LYS CB . 30237 1 892 . 1 1 84 84 LYS CG C 13 24.767 0 . . . . . . A 84 LYS CG . 30237 1 893 . 1 1 84 84 LYS CD C 13 28.563 0 . . . . . . A 84 LYS CD . 30237 1 894 . 1 1 84 84 LYS CE C 13 42.36 0 . . . . . . A 84 LYS CE . 30237 1 895 . 1 1 84 84 LYS N N 15 118.159 0 . . . . . . A 84 LYS N . 30237 1 896 . 1 1 85 85 ASN H H 1 8.099 0 . . . . . . A 85 ASN H . 30237 1 897 . 1 1 85 85 ASN HA H 1 4.403 0 . . . . . . A 85 ASN HA . 30237 1 898 . 1 1 85 85 ASN HB2 H 1 2.908 0 . . . . . . A 85 ASN HB2 . 30237 1 899 . 1 1 85 85 ASN HB3 H 1 2.896 0 . . . . . . A 85 ASN HB3 . 30237 1 900 . 1 1 85 85 ASN HD21 H 1 7.46 0 . . . . . . A 85 ASN HD21 . 30237 1 901 . 1 1 85 85 ASN HD22 H 1 6.79 0 . . . . . . A 85 ASN HD22 . 30237 1 902 . 1 1 85 85 ASN C C 13 173.913 0 . . . . . . A 85 ASN C . 30237 1 903 . 1 1 85 85 ASN CA C 13 54.511 0 . . . . . . A 85 ASN CA . 30237 1 904 . 1 1 85 85 ASN CB C 13 37.052 0 . . . . . . A 85 ASN CB . 30237 1 905 . 1 1 85 85 ASN N N 15 114.245 0 . . . . . . A 85 ASN N . 30237 1 906 . 1 1 85 85 ASN ND2 N 15 112.337 0 . . . . . . A 85 ASN ND2 . 30237 1 907 . 1 1 86 86 LYS H H 1 6.425 0 . . . . . . A 86 LYS H . 30237 1 908 . 1 1 86 86 LYS HA H 1 4.2 0 . . . . . . A 86 LYS HA . 30237 1 909 . 1 1 86 86 LYS HB3 H 1 1.811 0 . . . . . . A 86 LYS HB3 . 30237 1 910 . 1 1 86 86 LYS HG2 H 1 1.433 0 . . . . . . A 86 LYS HG2 . 30237 1 911 . 1 1 86 86 LYS HD2 H 1 1.698 0 . . . . . . A 86 LYS HD2 . 30237 1 912 . 1 1 86 86 LYS HD3 H 1 1.709 0 . . . . . . A 86 LYS HD3 . 30237 1 913 . 1 1 86 86 LYS HE3 H 1 3.022 0 . . . . . . A 86 LYS HE3 . 30237 1 914 . 1 1 86 86 LYS C C 13 177.302 0 . . . . . . A 86 LYS C . 30237 1 915 . 1 1 86 86 LYS CA C 13 53.913 0 . . . . . . A 86 LYS CA . 30237 1 916 . 1 1 86 86 LYS CB C 13 32.641 0 . . . . . . A 86 LYS CB . 30237 1 917 . 1 1 86 86 LYS CG C 13 24.744 0 . . . . . . A 86 LYS CG . 30237 1 918 . 1 1 86 86 LYS CD C 13 29.089 0 . . . . . . A 86 LYS CD . 30237 1 919 . 1 1 86 86 LYS CE C 13 42.234 0 . . . . . . A 86 LYS CE . 30237 1 920 . 1 1 86 86 LYS N N 15 114.316 0 . . . . . . A 86 LYS N . 30237 1 921 . 1 1 87 87 THR H H 1 9.48 0 . . . . . . A 87 THR H . 30237 1 922 . 1 1 87 87 THR HA H 1 5.006 0 . . . . . . A 87 THR HA . 30237 1 923 . 1 1 87 87 THR HB H 1 4.711 0 . . . . . . A 87 THR HB . 30237 1 924 . 1 1 87 87 THR HG21 H 1 1.176 0 . . . . . . A 87 THR HG21 . 30237 1 925 . 1 1 87 87 THR HG22 H 1 1.176 0 . . . . . . A 87 THR HG22 . 30237 1 926 . 1 1 87 87 THR HG23 H 1 1.176 0 . . . . . . A 87 THR HG23 . 30237 1 927 . 1 1 87 87 THR C C 13 176.337 0 . . . . . . A 87 THR C . 30237 1 928 . 1 1 87 87 THR CA C 13 60.356 0 . . . . . . A 87 THR CA . 30237 1 929 . 1 1 87 87 THR CB C 13 73.517 0 . . . . . . A 87 THR CB . 30237 1 930 . 1 1 87 87 THR CG2 C 13 22.006 0 . . . . . . A 87 THR CG2 . 30237 1 931 . 1 1 87 87 THR N N 15 112.697 0 . . . . . . A 87 THR N . 30237 1 932 . 1 1 88 88 ILE H H 1 8.913 0 . . . . . . A 88 ILE H . 30237 1 933 . 1 1 88 88 ILE HA H 1 3.927 0 . . . . . . A 88 ILE HA . 30237 1 934 . 1 1 88 88 ILE HB H 1 1.971 0 . . . . . . A 88 ILE HB . 30237 1 935 . 1 1 88 88 ILE HG12 H 1 1.532 0 . . . . . . A 88 ILE HG12 . 30237 1 936 . 1 1 88 88 ILE HG13 H 1 1.119 0 . . . . . . A 88 ILE HG13 . 30237 1 937 . 1 1 88 88 ILE HG21 H 1 0.904 0 . . . . . . A 88 ILE HG21 . 30237 1 938 . 1 1 88 88 ILE HG22 H 1 0.904 0 . . . . . . A 88 ILE HG22 . 30237 1 939 . 1 1 88 88 ILE HG23 H 1 0.904 0 . . . . . . A 88 ILE HG23 . 30237 1 940 . 1 1 88 88 ILE HD11 H 1 0.944 0 . . . . . . A 88 ILE HD11 . 30237 1 941 . 1 1 88 88 ILE HD12 H 1 0.944 0 . . . . . . A 88 ILE HD12 . 30237 1 942 . 1 1 88 88 ILE HD13 H 1 0.944 0 . . . . . . A 88 ILE HD13 . 30237 1 943 . 1 1 88 88 ILE C C 13 177.217 0 . . . . . . A 88 ILE C . 30237 1 944 . 1 1 88 88 ILE CA C 13 63.424 0 . . . . . . A 88 ILE CA . 30237 1 945 . 1 1 88 88 ILE CB C 13 37.423 0 . . . . . . A 88 ILE CB . 30237 1 946 . 1 1 88 88 ILE CG1 C 13 29.307 0 . . . . . . A 88 ILE CG1 . 30237 1 947 . 1 1 88 88 ILE CG2 C 13 18.72 0 . . . . . . A 88 ILE CG2 . 30237 1 948 . 1 1 88 88 ILE CD1 C 13 13.346 0 . . . . . . A 88 ILE CD1 . 30237 1 949 . 1 1 88 88 ILE N N 15 118.87 0 . . . . . . A 88 ILE N . 30237 1 950 . 1 1 89 89 GLY H H 1 9.012 0 . . . . . . A 89 GLY H . 30237 1 951 . 1 1 89 89 GLY HA2 H 1 4.043 0 . . . . . . A 89 GLY HA2 . 30237 1 952 . 1 1 89 89 GLY HA3 H 1 3.795 0 . . . . . . A 89 GLY HA3 . 30237 1 953 . 1 1 89 89 GLY C C 13 176.348 0 . . . . . . A 89 GLY C . 30237 1 954 . 1 1 89 89 GLY CA C 13 47.341 0 . . . . . . A 89 GLY CA . 30237 1 955 . 1 1 89 89 GLY N N 15 110.864 0 . . . . . . A 89 GLY N . 30237 1 956 . 1 1 90 90 ASP H H 1 7.945 0 . . . . . . A 90 ASP H . 30237 1 957 . 1 1 90 90 ASP C C 13 179.101 0 . . . . . . A 90 ASP C . 30237 1 958 . 1 1 90 90 ASP CA C 13 57.931 0 . . . . . . A 90 ASP CA . 30237 1 959 . 1 1 90 90 ASP CB C 13 41.348 0 . . . . . . A 90 ASP CB . 30237 1 960 . 1 1 90 90 ASP N N 15 122.75 0 . . . . . . A 90 ASP N . 30237 1 961 . 1 1 91 91 LEU H H 1 7.98 0 . . . . . . A 91 LEU H . 30237 1 962 . 1 1 91 91 LEU HA H 1 4.426 0 . . . . . . A 91 LEU HA . 30237 1 963 . 1 1 91 91 LEU HB2 H 1 2.332 0 . . . . . . A 91 LEU HB2 . 30237 1 964 . 1 1 91 91 LEU HB3 H 1 1.519 0 . . . . . . A 91 LEU HB3 . 30237 1 965 . 1 1 91 91 LEU HG H 1 1.624 0 . . . . . . A 91 LEU HG . 30237 1 966 . 1 1 91 91 LEU HD11 H 1 0.908 0 . . . . . . A 91 LEU HD11 . 30237 1 967 . 1 1 91 91 LEU HD12 H 1 0.908 0 . . . . . . A 91 LEU HD12 . 30237 1 968 . 1 1 91 91 LEU HD13 H 1 0.908 0 . . . . . . A 91 LEU HD13 . 30237 1 969 . 1 1 91 91 LEU HD21 H 1 0.88 0 . . . . . . A 91 LEU HD21 . 30237 1 970 . 1 1 91 91 LEU HD22 H 1 0.88 0 . . . . . . A 91 LEU HD22 . 30237 1 971 . 1 1 91 91 LEU HD23 H 1 0.88 0 . . . . . . A 91 LEU HD23 . 30237 1 972 . 1 1 91 91 LEU C C 13 178.009 0 . . . . . . A 91 LEU C . 30237 1 973 . 1 1 91 91 LEU CA C 13 57.758 0 . . . . . . A 91 LEU CA . 30237 1 974 . 1 1 91 91 LEU CB C 13 42.034 0 . . . . . . A 91 LEU CB . 30237 1 975 . 1 1 91 91 LEU CG C 13 27.011 0 . . . . . . A 91 LEU CG . 30237 1 976 . 1 1 91 91 LEU CD1 C 13 22.797 0 . . . . . . A 91 LEU CD1 . 30237 1 977 . 1 1 91 91 LEU CD2 C 13 26.584 0 . . . . . . A 91 LEU CD2 . 30237 1 978 . 1 1 91 91 LEU N N 15 120.929 0 . . . . . . A 91 LEU N . 30237 1 979 . 1 1 92 92 LEU H H 1 9.27 0 . . . . . . A 92 LEU H . 30237 1 980 . 1 1 92 92 LEU HA H 1 3.902 0 . . . . . . A 92 LEU HA . 30237 1 981 . 1 1 92 92 LEU HB2 H 1 1.975 0 . . . . . . A 92 LEU HB2 . 30237 1 982 . 1 1 92 92 LEU HG H 1 1.629 0 . . . . . . A 92 LEU HG . 30237 1 983 . 1 1 92 92 LEU HD11 H 1 0.865 0 . . . . . . A 92 LEU HD11 . 30237 1 984 . 1 1 92 92 LEU HD12 H 1 0.865 0 . . . . . . A 92 LEU HD12 . 30237 1 985 . 1 1 92 92 LEU HD13 H 1 0.865 0 . . . . . . A 92 LEU HD13 . 30237 1 986 . 1 1 92 92 LEU HD21 H 1 0.882 0 . . . . . . A 92 LEU HD21 . 30237 1 987 . 1 1 92 92 LEU HD22 H 1 0.882 0 . . . . . . A 92 LEU HD22 . 30237 1 988 . 1 1 92 92 LEU HD23 H 1 0.882 0 . . . . . . A 92 LEU HD23 . 30237 1 989 . 1 1 92 92 LEU C C 13 178.459 0 . . . . . . A 92 LEU C . 30237 1 990 . 1 1 92 92 LEU CA C 13 58.576 0 . . . . . . A 92 LEU CA . 30237 1 991 . 1 1 92 92 LEU CB C 13 41.88 0 . . . . . . A 92 LEU CB . 30237 1 992 . 1 1 92 92 LEU CG C 13 27.097 0 . . . . . . A 92 LEU CG . 30237 1 993 . 1 1 92 92 LEU CD2 C 13 25.067 0 . . . . . . A 92 LEU CD2 . 30237 1 994 . 1 1 92 92 LEU N N 15 120.209 0 . . . . . . A 92 LEU N . 30237 1 995 . 1 1 93 93 GLN H H 1 7.802 0 . . . . . . A 93 GLN H . 30237 1 996 . 1 1 93 93 GLN HA H 1 4.117 0 . . . . . . A 93 GLN HA . 30237 1 997 . 1 1 93 93 GLN HB2 H 1 2.341 0 . . . . . . A 93 GLN HB2 . 30237 1 998 . 1 1 93 93 GLN HG3 H 1 2.541 0 . . . . . . A 93 GLN HG3 . 30237 1 999 . 1 1 93 93 GLN HE21 H 1 7.722 0 . . . . . . A 93 GLN HE21 . 30237 1 1000 . 1 1 93 93 GLN HE22 H 1 6.882 0 . . . . . . A 93 GLN HE22 . 30237 1 1001 . 1 1 93 93 GLN C C 13 178.55 0 . . . . . . A 93 GLN C . 30237 1 1002 . 1 1 93 93 GLN CA C 13 59.611 0 . . . . . . A 93 GLN CA . 30237 1 1003 . 1 1 93 93 GLN CB C 13 28.386 0 . . . . . . A 93 GLN CB . 30237 1 1004 . 1 1 93 93 GLN CG C 13 33.698 0 . . . . . . A 93 GLN CG . 30237 1 1005 . 1 1 93 93 GLN N N 15 117.328 0 . . . . . . A 93 GLN N . 30237 1 1006 . 1 1 93 93 GLN NE2 N 15 112.655 0 . . . . . . A 93 GLN NE2 . 30237 1 1007 . 1 1 94 94 VAL H H 1 7.368 0 . . . . . . A 94 VAL H . 30237 1 1008 . 1 1 94 94 VAL HA H 1 3.894 0 . . . . . . A 94 VAL HA . 30237 1 1009 . 1 1 94 94 VAL HB H 1 2.237 0 . . . . . . A 94 VAL HB . 30237 1 1010 . 1 1 94 94 VAL HG11 H 1 0.915 0 . . . . . . A 94 VAL HG11 . 30237 1 1011 . 1 1 94 94 VAL HG12 H 1 0.915 0 . . . . . . A 94 VAL HG12 . 30237 1 1012 . 1 1 94 94 VAL HG13 H 1 0.915 0 . . . . . . A 94 VAL HG13 . 30237 1 1013 . 1 1 94 94 VAL HG21 H 1 0.888 0 . . . . . . A 94 VAL HG21 . 30237 1 1014 . 1 1 94 94 VAL HG22 H 1 0.888 0 . . . . . . A 94 VAL HG22 . 30237 1 1015 . 1 1 94 94 VAL HG23 H 1 0.888 0 . . . . . . A 94 VAL HG23 . 30237 1 1016 . 1 1 94 94 VAL C C 13 178.298 0 . . . . . . A 94 VAL C . 30237 1 1017 . 1 1 94 94 VAL CA C 13 66.016 0 . . . . . . A 94 VAL CA . 30237 1 1018 . 1 1 94 94 VAL CB C 13 31.842 0 . . . . . . A 94 VAL CB . 30237 1 1019 . 1 1 94 94 VAL CG1 C 13 21.421 0 . . . . . . A 94 VAL CG1 . 30237 1 1020 . 1 1 94 94 VAL CG2 C 13 21.909 0 . . . . . . A 94 VAL CG2 . 30237 1 1021 . 1 1 94 94 VAL N N 15 119.238 0 . . . . . . A 94 VAL N . 30237 1 1022 . 1 1 95 95 LEU H H 1 8.586 0 . . . . . . A 95 LEU H . 30237 1 1023 . 1 1 95 95 LEU HA H 1 4.194 0 . . . . . . A 95 LEU HA . 30237 1 1024 . 1 1 95 95 LEU HB2 H 1 1.411 0 . . . . . . A 95 LEU HB2 . 30237 1 1025 . 1 1 95 95 LEU HB3 H 1 1.433 0 . . . . . . A 95 LEU HB3 . 30237 1 1026 . 1 1 95 95 LEU HG H 1 0.695 0 . . . . . . A 95 LEU HG . 30237 1 1027 . 1 1 95 95 LEU HD11 H 1 0.783 0 . . . . . . A 95 LEU HD11 . 30237 1 1028 . 1 1 95 95 LEU HD12 H 1 0.783 0 . . . . . . A 95 LEU HD12 . 30237 1 1029 . 1 1 95 95 LEU HD13 H 1 0.783 0 . . . . . . A 95 LEU HD13 . 30237 1 1030 . 1 1 95 95 LEU HD21 H 1 0.823 0 . . . . . . A 95 LEU HD21 . 30237 1 1031 . 1 1 95 95 LEU HD22 H 1 0.823 0 . . . . . . A 95 LEU HD22 . 30237 1 1032 . 1 1 95 95 LEU HD23 H 1 0.823 0 . . . . . . A 95 LEU HD23 . 30237 1 1033 . 1 1 95 95 LEU C C 13 179.965 0 . . . . . . A 95 LEU C . 30237 1 1034 . 1 1 95 95 LEU CA C 13 58.054 0 . . . . . . A 95 LEU CA . 30237 1 1035 . 1 1 95 95 LEU CB C 13 41.852 0 . . . . . . A 95 LEU CB . 30237 1 1036 . 1 1 95 95 LEU CG C 13 26.848 0 . . . . . . A 95 LEU CG . 30237 1 1037 . 1 1 95 95 LEU CD1 C 13 24.313 0 . . . . . . A 95 LEU CD1 . 30237 1 1038 . 1 1 95 95 LEU CD2 C 13 22.008 0 . . . . . . A 95 LEU CD2 . 30237 1 1039 . 1 1 95 95 LEU N N 15 119.169 0 . . . . . . A 95 LEU N . 30237 1 1040 . 1 1 96 96 GLN H H 1 8.74 0 . . . . . . A 96 GLN H . 30237 1 1041 . 1 1 96 96 GLN HA H 1 4.06 0 . . . . . . A 96 GLN HA . 30237 1 1042 . 1 1 96 96 GLN HB2 H 1 2.239 0 . . . . . . A 96 GLN HB2 . 30237 1 1043 . 1 1 96 96 GLN HB3 H 1 2.095 0 . . . . . . A 96 GLN HB3 . 30237 1 1044 . 1 1 96 96 GLN HG2 H 1 2.45 0 . . . . . . A 96 GLN HG2 . 30237 1 1045 . 1 1 96 96 GLN HE21 H 1 7.3 0 . . . . . . A 96 GLN HE21 . 30237 1 1046 . 1 1 96 96 GLN HE22 H 1 6.808 0 . . . . . . A 96 GLN HE22 . 30237 1 1047 . 1 1 96 96 GLN C C 13 179.859 0 . . . . . . A 96 GLN C . 30237 1 1048 . 1 1 96 96 GLN CA C 13 59.29 0 . . . . . . A 96 GLN CA . 30237 1 1049 . 1 1 96 96 GLN CB C 13 28.036 0 . . . . . . A 96 GLN CB . 30237 1 1050 . 1 1 96 96 GLN CG C 13 33.927 0 . . . . . . A 96 GLN CG . 30237 1 1051 . 1 1 96 96 GLN N N 15 120.045 0 . . . . . . A 96 GLN N . 30237 1 1052 . 1 1 96 96 GLN NE2 N 15 110.187 0 . . . . . . A 96 GLN NE2 . 30237 1 1053 . 1 1 97 97 GLU H H 1 7.959 0 . . . . . . A 97 GLU H . 30237 1 1054 . 1 1 97 97 GLU HA H 1 4.227 0 . . . . . . A 97 GLU HA . 30237 1 1055 . 1 1 97 97 GLU HB3 H 1 1.714 0 . . . . . . A 97 GLU HB3 . 30237 1 1056 . 1 1 97 97 GLU HG3 H 1 2.372 0 . . . . . . A 97 GLU HG3 . 30237 1 1057 . 1 1 97 97 GLU C C 13 178.872 0 . . . . . . A 97 GLU C . 30237 1 1058 . 1 1 97 97 GLU CA C 13 59.552 0 . . . . . . A 97 GLU CA . 30237 1 1059 . 1 1 97 97 GLU CB C 13 29.26 0 . . . . . . A 97 GLU CB . 30237 1 1060 . 1 1 97 97 GLU CG C 13 36.608 0 . . . . . . A 97 GLU CG . 30237 1 1061 . 1 1 97 97 GLU N N 15 122.427 0 . . . . . . A 97 GLU N . 30237 1 1062 . 1 1 98 98 MET H H 1 7.999 0 . . . . . . A 98 MET H . 30237 1 1063 . 1 1 98 98 MET HA H 1 4.106 0 . . . . . . A 98 MET HA . 30237 1 1064 . 1 1 98 98 MET HB2 H 1 2.589 0 . . . . . . A 98 MET HB2 . 30237 1 1065 . 1 1 98 98 MET HB3 H 1 2.209 0 . . . . . . A 98 MET HB3 . 30237 1 1066 . 1 1 98 98 MET HG2 H 1 2.625 0 . . . . . . A 98 MET HG2 . 30237 1 1067 . 1 1 98 98 MET C C 13 176.062 0 . . . . . . A 98 MET C . 30237 1 1068 . 1 1 98 98 MET CA C 13 57.182 0 . . . . . . A 98 MET CA . 30237 1 1069 . 1 1 98 98 MET CB C 13 35.773 0 . . . . . . A 98 MET CB . 30237 1 1070 . 1 1 98 98 MET N N 15 115.146 0 . . . . . . A 98 MET N . 30237 1 1071 . 1 1 99 99 GLY H H 1 7.828 0 . . . . . . A 99 GLY H . 30237 1 1072 . 1 1 99 99 GLY HA2 H 1 3.937 0 . . . . . . A 99 GLY HA2 . 30237 1 1073 . 1 1 99 99 GLY HA3 H 1 4.009 0 . . . . . . A 99 GLY HA3 . 30237 1 1074 . 1 1 99 99 GLY C C 13 175.751 0 . . . . . . A 99 GLY C . 30237 1 1075 . 1 1 99 99 GLY CA C 13 45.798 0 . . . . . . A 99 GLY CA . 30237 1 1076 . 1 1 99 99 GLY N N 15 107.337 0 . . . . . . A 99 GLY N . 30237 1 1077 . 1 1 100 100 HIS H H 1 8.126 0 . . . . . . A 100 HIS H . 30237 1 1078 . 1 1 100 100 HIS HA H 1 4.59 0 . . . . . . A 100 HIS HA . 30237 1 1079 . 1 1 100 100 HIS HB2 H 1 3.697 0 . . . . . . A 100 HIS HB2 . 30237 1 1080 . 1 1 100 100 HIS HB3 H 1 2.608 0 . . . . . . A 100 HIS HB3 . 30237 1 1081 . 1 1 100 100 HIS C C 13 174.881 0 . . . . . . A 100 HIS C . 30237 1 1082 . 1 1 100 100 HIS CA C 13 55.876 0 . . . . . . A 100 HIS CA . 30237 1 1083 . 1 1 100 100 HIS CB C 13 30.107 0 . . . . . . A 100 HIS CB . 30237 1 1084 . 1 1 100 100 HIS N N 15 121.824 0 . . . . . . A 100 HIS N . 30237 1 1085 . 1 1 101 101 ARG H H 1 8.032 0 . . . . . . A 101 ARG H . 30237 1 1086 . 1 1 101 101 ARG HA H 1 3.927 0 . . . . . . A 101 ARG HA . 30237 1 1087 . 1 1 101 101 ARG HB2 H 1 1.915 0 . . . . . . A 101 ARG HB2 . 30237 1 1088 . 1 1 101 101 ARG HG2 H 1 1.691 0 . . . . . . A 101 ARG HG2 . 30237 1 1089 . 1 1 101 101 ARG HG3 H 1 1.76 0 . . . . . . A 101 ARG HG3 . 30237 1 1090 . 1 1 101 101 ARG HD2 H 1 3.253 0 . . . . . . A 101 ARG HD2 . 30237 1 1091 . 1 1 101 101 ARG C C 13 178.483 0 . . . . . . A 101 ARG C . 30237 1 1092 . 1 1 101 101 ARG CA C 13 59.981 0 . . . . . . A 101 ARG CA . 30237 1 1093 . 1 1 101 101 ARG CB C 13 30.239 0 . . . . . . A 101 ARG CB . 30237 1 1094 . 1 1 101 101 ARG CG C 13 27.261 0 . . . . . . A 101 ARG CG . 30237 1 1095 . 1 1 101 101 ARG CD C 13 43.094 0 . . . . . . A 101 ARG CD . 30237 1 1096 . 1 1 101 101 ARG N N 15 123.981 0 . . . . . . A 101 ARG N . 30237 1 1097 . 1 1 102 102 ARG H H 1 9.054 0 . . . . . . A 102 ARG H . 30237 1 1098 . 1 1 102 102 ARG HA H 1 4.205 0 . . . . . . A 102 ARG HA . 30237 1 1099 . 1 1 102 102 ARG HB2 H 1 2.001 0 . . . . . . A 102 ARG HB2 . 30237 1 1100 . 1 1 102 102 ARG HB3 H 1 1.925 0 . . . . . . A 102 ARG HB3 . 30237 1 1101 . 1 1 102 102 ARG HG2 H 1 1.869 0 . . . . . . A 102 ARG HG2 . 30237 1 1102 . 1 1 102 102 ARG HG3 H 1 1.84 0 . . . . . . A 102 ARG HG3 . 30237 1 1103 . 1 1 102 102 ARG HD2 H 1 3.25 0 . . . . . . A 102 ARG HD2 . 30237 1 1104 . 1 1 102 102 ARG HD3 H 1 3.349 0 . . . . . . A 102 ARG HD3 . 30237 1 1105 . 1 1 102 102 ARG C C 13 178.9 0 . . . . . . A 102 ARG C . 30237 1 1106 . 1 1 102 102 ARG CA C 13 59.63 0 . . . . . . A 102 ARG CA . 30237 1 1107 . 1 1 102 102 ARG CB C 13 30.459 0 . . . . . . A 102 ARG CB . 30237 1 1108 . 1 1 102 102 ARG CG C 13 27.695 0 . . . . . . A 102 ARG CG . 30237 1 1109 . 1 1 102 102 ARG CD C 13 43.645 0 . . . . . . A 102 ARG CD . 30237 1 1110 . 1 1 102 102 ARG N N 15 119.316 0 . . . . . . A 102 ARG N . 30237 1 1111 . 1 1 103 103 ALA H H 1 8.509 0 . . . . . . A 103 ALA H . 30237 1 1112 . 1 1 103 103 ALA HA H 1 3.979 0 . . . . . . A 103 ALA HA . 30237 1 1113 . 1 1 103 103 ALA HB1 H 1 0.98 0 . . . . . . A 103 ALA HB1 . 30237 1 1114 . 1 1 103 103 ALA HB2 H 1 0.98 0 . . . . . . A 103 ALA HB2 . 30237 1 1115 . 1 1 103 103 ALA HB3 H 1 0.98 0 . . . . . . A 103 ALA HB3 . 30237 1 1116 . 1 1 103 103 ALA C C 13 178.379 0 . . . . . . A 103 ALA C . 30237 1 1117 . 1 1 103 103 ALA CA C 13 55.251 0 . . . . . . A 103 ALA CA . 30237 1 1118 . 1 1 103 103 ALA CB C 13 18.927 0 . . . . . . A 103 ALA CB . 30237 1 1119 . 1 1 103 103 ALA N N 15 121.747 0 . . . . . . A 103 ALA N . 30237 1 1120 . 1 1 104 104 ILE H H 1 8.073 0 . . . . . . A 104 ILE H . 30237 1 1121 . 1 1 104 104 ILE HA H 1 3.445 0 . . . . . . A 104 ILE HA . 30237 1 1122 . 1 1 104 104 ILE HB H 1 1.836 0 . . . . . . A 104 ILE HB . 30237 1 1123 . 1 1 104 104 ILE HG12 H 1 0.865 0 . . . . . . A 104 ILE HG12 . 30237 1 1124 . 1 1 104 104 ILE HG21 H 1 0.935 0 . . . . . . A 104 ILE HG21 . 30237 1 1125 . 1 1 104 104 ILE HG22 H 1 0.935 0 . . . . . . A 104 ILE HG22 . 30237 1 1126 . 1 1 104 104 ILE HG23 H 1 0.935 0 . . . . . . A 104 ILE HG23 . 30237 1 1127 . 1 1 104 104 ILE HD11 H 1 0.735 0 . . . . . . A 104 ILE HD11 . 30237 1 1128 . 1 1 104 104 ILE HD12 H 1 0.735 0 . . . . . . A 104 ILE HD12 . 30237 1 1129 . 1 1 104 104 ILE HD13 H 1 0.735 0 . . . . . . A 104 ILE HD13 . 30237 1 1130 . 1 1 104 104 ILE C C 13 178.544 0 . . . . . . A 104 ILE C . 30237 1 1131 . 1 1 104 104 ILE CA C 13 65.891 0 . . . . . . A 104 ILE CA . 30237 1 1132 . 1 1 104 104 ILE CB C 13 38.903 0 . . . . . . A 104 ILE CB . 30237 1 1133 . 1 1 104 104 ILE CG1 C 13 30.397 0 . . . . . . A 104 ILE CG1 . 30237 1 1134 . 1 1 104 104 ILE CG2 C 13 17.311 0 . . . . . . A 104 ILE CG2 . 30237 1 1135 . 1 1 104 104 ILE CD1 C 13 13.558 0 . . . . . . A 104 ILE CD1 . 30237 1 1136 . 1 1 104 104 ILE N N 15 116.469 0 . . . . . . A 104 ILE N . 30237 1 1137 . 1 1 105 105 HIS H H 1 8.391 0 . . . . . . A 105 HIS H . 30237 1 1138 . 1 1 105 105 HIS HA H 1 4.262 0 . . . . . . A 105 HIS HA . 30237 1 1139 . 1 1 105 105 HIS HB2 H 1 3.251 0 . . . . . . A 105 HIS HB2 . 30237 1 1140 . 1 1 105 105 HIS HB3 H 1 3.263 0 . . . . . . A 105 HIS HB3 . 30237 1 1141 . 1 1 105 105 HIS HD2 H 1 7.003 0 . . . . . . A 105 HIS HD2 . 30237 1 1142 . 1 1 105 105 HIS C C 13 177.104 0 . . . . . . A 105 HIS C . 30237 1 1143 . 1 1 105 105 HIS CA C 13 59.782 0 . . . . . . A 105 HIS CA . 30237 1 1144 . 1 1 105 105 HIS CB C 13 30.385 0 . . . . . . A 105 HIS CB . 30237 1 1145 . 1 1 105 105 HIS CD2 C 13 118.637 0 . . . . . . A 105 HIS CD2 . 30237 1 1146 . 1 1 105 105 HIS N N 15 120.544 0 . . . . . . A 105 HIS N . 30237 1 1147 . 1 1 106 106 LEU H H 1 7.658 0 . . . . . . A 106 LEU H . 30237 1 1148 . 1 1 106 106 LEU HA H 1 4.136 0 . . . . . . A 106 LEU HA . 30237 1 1149 . 1 1 106 106 LEU HB2 H 1 1.784 0 . . . . . . A 106 LEU HB2 . 30237 1 1150 . 1 1 106 106 LEU HB3 H 1 1.926 0 . . . . . . A 106 LEU HB3 . 30237 1 1151 . 1 1 106 106 LEU HG H 1 0.899 0 . . . . . . A 106 LEU HG . 30237 1 1152 . 1 1 106 106 LEU HD11 H 1 0.948 0 . . . . . . A 106 LEU HD11 . 30237 1 1153 . 1 1 106 106 LEU HD12 H 1 0.948 0 . . . . . . A 106 LEU HD12 . 30237 1 1154 . 1 1 106 106 LEU HD13 H 1 0.948 0 . . . . . . A 106 LEU HD13 . 30237 1 1155 . 1 1 106 106 LEU HD21 H 1 0.928 0 . . . . . . A 106 LEU HD21 . 30237 1 1156 . 1 1 106 106 LEU HD22 H 1 0.928 0 . . . . . . A 106 LEU HD22 . 30237 1 1157 . 1 1 106 106 LEU HD23 H 1 0.928 0 . . . . . . A 106 LEU HD23 . 30237 1 1158 . 1 1 106 106 LEU C C 13 178.61 0 . . . . . . A 106 LEU C . 30237 1 1159 . 1 1 106 106 LEU CA C 13 58.047 0 . . . . . . A 106 LEU CA . 30237 1 1160 . 1 1 106 106 LEU CB C 13 42.248 0 . . . . . . A 106 LEU CB . 30237 1 1161 . 1 1 106 106 LEU CG C 13 22.816 0 . . . . . . A 106 LEU CG . 30237 1 1162 . 1 1 106 106 LEU CD1 C 13 24.876 0 . . . . . . A 106 LEU CD1 . 30237 1 1163 . 1 1 106 106 LEU N N 15 118.144 0 . . . . . . A 106 LEU N . 30237 1 1164 . 1 1 107 107 ILE H H 1 7.489 0 . . . . . . A 107 ILE H . 30237 1 1165 . 1 1 107 107 ILE HA H 1 3.72 0 . . . . . . A 107 ILE HA . 30237 1 1166 . 1 1 107 107 ILE HB H 1 1.958 0 . . . . . . A 107 ILE HB . 30237 1 1167 . 1 1 107 107 ILE HG12 H 1 0.918 0 . . . . . . A 107 ILE HG12 . 30237 1 1168 . 1 1 107 107 ILE HG13 H 1 1.885 0 . . . . . . A 107 ILE HG13 . 30237 1 1169 . 1 1 107 107 ILE HG21 H 1 0.863 0 . . . . . . A 107 ILE HG21 . 30237 1 1170 . 1 1 107 107 ILE HG22 H 1 0.863 0 . . . . . . A 107 ILE HG22 . 30237 1 1171 . 1 1 107 107 ILE HG23 H 1 0.863 0 . . . . . . A 107 ILE HG23 . 30237 1 1172 . 1 1 107 107 ILE HD11 H 1 0.749 0 . . . . . . A 107 ILE HD11 . 30237 1 1173 . 1 1 107 107 ILE HD12 H 1 0.749 0 . . . . . . A 107 ILE HD12 . 30237 1 1174 . 1 1 107 107 ILE HD13 H 1 0.749 0 . . . . . . A 107 ILE HD13 . 30237 1 1175 . 1 1 107 107 ILE C C 13 178.091 0 . . . . . . A 107 ILE C . 30237 1 1176 . 1 1 107 107 ILE CA C 13 64.893 0 . . . . . . A 107 ILE CA . 30237 1 1177 . 1 1 107 107 ILE CB C 13 38.629 0 . . . . . . A 107 ILE CB . 30237 1 1178 . 1 1 107 107 ILE CG1 C 13 29.418 0 . . . . . . A 107 ILE CG1 . 30237 1 1179 . 1 1 107 107 ILE CG2 C 13 18.085 0 . . . . . . A 107 ILE CG2 . 30237 1 1180 . 1 1 107 107 ILE CD1 C 13 13.673 0 . . . . . . A 107 ILE CD1 . 30237 1 1181 . 1 1 107 107 ILE N N 15 115.644 0 . . . . . . A 107 ILE N . 30237 1 1182 . 1 1 108 108 THR H H 1 8.596 0 . . . . . . A 108 THR H . 30237 1 1183 . 1 1 108 108 THR HA H 1 4.122 0 . . . . . . A 108 THR HA . 30237 1 1184 . 1 1 108 108 THR HB H 1 4.32 0 . . . . . . A 108 THR HB . 30237 1 1185 . 1 1 108 108 THR HG21 H 1 1.279 0 . . . . . . A 108 THR HG21 . 30237 1 1186 . 1 1 108 108 THR HG22 H 1 1.279 0 . . . . . . A 108 THR HG22 . 30237 1 1187 . 1 1 108 108 THR HG23 H 1 1.279 0 . . . . . . A 108 THR HG23 . 30237 1 1188 . 1 1 108 108 THR C C 13 176.575 0 . . . . . . A 108 THR C . 30237 1 1189 . 1 1 108 108 THR CA C 13 65.102 0 . . . . . . A 108 THR CA . 30237 1 1190 . 1 1 108 108 THR CB C 13 69.258 0 . . . . . . A 108 THR CB . 30237 1 1191 . 1 1 108 108 THR CG2 C 13 21.811 0 . . . . . . A 108 THR CG2 . 30237 1 1192 . 1 1 108 108 THR N N 15 110.725 0 . . . . . . A 108 THR N . 30237 1 1193 . 1 1 109 109 ASN H H 1 7.95 0 . . . . . . A 109 ASN H . 30237 1 1194 . 1 1 109 109 ASN HA H 1 4.965 0 . . . . . . A 109 ASN HA . 30237 1 1195 . 1 1 109 109 ASN HB3 H 1 2.693 0 . . . . . . A 109 ASN HB3 . 30237 1 1196 . 1 1 109 109 ASN HD21 H 1 7.328 0 . . . . . . A 109 ASN HD21 . 30237 1 1197 . 1 1 109 109 ASN HD22 H 1 6.691 0 . . . . . . A 109 ASN HD22 . 30237 1 1198 . 1 1 109 109 ASN C C 13 175.428 0 . . . . . . A 109 ASN C . 30237 1 1199 . 1 1 109 109 ASN CA C 13 54.046 0 . . . . . . A 109 ASN CA . 30237 1 1200 . 1 1 109 109 ASN CB C 13 38.89 0 . . . . . . A 109 ASN CB . 30237 1 1201 . 1 1 109 109 ASN N N 15 118.457 0 . . . . . . A 109 ASN N . 30237 1 1202 . 1 1 109 109 ASN ND2 N 15 113.087 0 . . . . . . A 109 ASN ND2 . 30237 1 1203 . 1 1 110 110 TYR H H 1 7.506 0 . . . . . . A 110 TYR H . 30237 1 1204 . 1 1 110 110 TYR HA H 1 4.298 0 . . . . . . A 110 TYR HA . 30237 1 1205 . 1 1 110 110 TYR HB2 H 1 3.028 0 . . . . . . A 110 TYR HB2 . 30237 1 1206 . 1 1 110 110 TYR HB3 H 1 3.358 0 . . . . . . A 110 TYR HB3 . 30237 1 1207 . 1 1 110 110 TYR HD1 H 1 7.204 0 . . . . . . A 110 TYR HD1 . 30237 1 1208 . 1 1 110 110 TYR HE1 H 1 6.87 0 . . . . . . A 110 TYR HE1 . 30237 1 1209 . 1 1 110 110 TYR C C 13 176.626 0 . . . . . . A 110 TYR C . 30237 1 1210 . 1 1 110 110 TYR CA C 13 60.647 0 . . . . . . A 110 TYR CA . 30237 1 1211 . 1 1 110 110 TYR CB C 13 38.605 0 . . . . . . A 110 TYR CB . 30237 1 1212 . 1 1 110 110 TYR CD1 C 13 132.549 0 . . . . . . A 110 TYR CD1 . 30237 1 1213 . 1 1 110 110 TYR CE1 C 13 116.716 0 . . . . . . A 110 TYR CE1 . 30237 1 1214 . 1 1 110 110 TYR N N 15 121.078 0 . . . . . . A 110 TYR N . 30237 1 1215 . 1 1 111 111 GLY H H 1 8.155 0 . . . . . . A 111 GLY H . 30237 1 1216 . 1 1 111 111 GLY HA2 H 1 3.963 0 . . . . . . A 111 GLY HA2 . 30237 1 1217 . 1 1 111 111 GLY HA3 H 1 3.614 0 . . . . . . A 111 GLY HA3 . 30237 1 1218 . 1 1 111 111 GLY C C 13 173.531 0 . . . . . . A 111 GLY C . 30237 1 1219 . 1 1 111 111 GLY CA C 13 45.367 0 . . . . . . A 111 GLY CA . 30237 1 1220 . 1 1 111 111 GLY N N 15 111.694 0 . . . . . . A 111 GLY N . 30237 1 1221 . 1 1 112 112 ALA H H 1 7.579 0 . . . . . . A 112 ALA H . 30237 1 1222 . 1 1 112 112 ALA HA H 1 4.361 0 . . . . . . A 112 ALA HA . 30237 1 1223 . 1 1 112 112 ALA HB1 H 1 1.315 0 . . . . . . A 112 ALA HB1 . 30237 1 1224 . 1 1 112 112 ALA HB2 H 1 1.315 0 . . . . . . A 112 ALA HB2 . 30237 1 1225 . 1 1 112 112 ALA HB3 H 1 1.315 0 . . . . . . A 112 ALA HB3 . 30237 1 1226 . 1 1 112 112 ALA C C 13 177.071 0 . . . . . . A 112 ALA C . 30237 1 1227 . 1 1 112 112 ALA CA C 13 52.507 0 . . . . . . A 112 ALA CA . 30237 1 1228 . 1 1 112 112 ALA CB C 13 19.397 0 . . . . . . A 112 ALA CB . 30237 1 1229 . 1 1 112 112 ALA N N 15 122.892 0 . . . . . . A 112 ALA N . 30237 1 1230 . 1 1 113 113 VAL H H 1 8.069 0 . . . . . . A 113 VAL H . 30237 1 1231 . 1 1 113 113 VAL HA H 1 4.151 0 . . . . . . A 113 VAL HA . 30237 1 1232 . 1 1 113 113 VAL HB H 1 2.069 0 . . . . . . A 113 VAL HB . 30237 1 1233 . 1 1 113 113 VAL HG11 H 1 0.93 0 . . . . . . A 113 VAL HG11 . 30237 1 1234 . 1 1 113 113 VAL HG12 H 1 0.93 0 . . . . . . A 113 VAL HG12 . 30237 1 1235 . 1 1 113 113 VAL HG13 H 1 0.93 0 . . . . . . A 113 VAL HG13 . 30237 1 1236 . 1 1 113 113 VAL HG21 H 1 0.938 0 . . . . . . A 113 VAL HG21 . 30237 1 1237 . 1 1 113 113 VAL HG22 H 1 0.938 0 . . . . . . A 113 VAL HG22 . 30237 1 1238 . 1 1 113 113 VAL HG23 H 1 0.938 0 . . . . . . A 113 VAL HG23 . 30237 1 1239 . 1 1 113 113 VAL C C 13 175.86 0 . . . . . . A 113 VAL C . 30237 1 1240 . 1 1 113 113 VAL CA C 13 62.007 0 . . . . . . A 113 VAL CA . 30237 1 1241 . 1 1 113 113 VAL CB C 13 32.955 0 . . . . . . A 113 VAL CB . 30237 1 1242 . 1 1 113 113 VAL CG1 C 13 21.297 0 . . . . . . A 113 VAL CG1 . 30237 1 1243 . 1 1 113 113 VAL CG2 C 13 20.617 0 . . . . . . A 113 VAL CG2 . 30237 1 1244 . 1 1 113 113 VAL N N 15 118.843 0 . . . . . . A 113 VAL N . 30237 1 1245 . 1 1 114 114 LEU H H 1 8.318 0 . . . . . . A 114 LEU H . 30237 1 1246 . 1 1 114 114 LEU HA H 1 4.427 0 . . . . . . A 114 LEU HA . 30237 1 1247 . 1 1 114 114 LEU HB2 H 1 1.619 0 . . . . . . A 114 LEU HB2 . 30237 1 1248 . 1 1 114 114 LEU HB3 H 1 1.63 0 . . . . . . A 114 LEU HB3 . 30237 1 1249 . 1 1 114 114 LEU HD11 H 1 0.901 0 . . . . . . A 114 LEU HD11 . 30237 1 1250 . 1 1 114 114 LEU HD12 H 1 0.901 0 . . . . . . A 114 LEU HD12 . 30237 1 1251 . 1 1 114 114 LEU HD13 H 1 0.901 0 . . . . . . A 114 LEU HD13 . 30237 1 1252 . 1 1 114 114 LEU HD21 H 1 0.866 0 . . . . . . A 114 LEU HD21 . 30237 1 1253 . 1 1 114 114 LEU HD22 H 1 0.866 0 . . . . . . A 114 LEU HD22 . 30237 1 1254 . 1 1 114 114 LEU HD23 H 1 0.866 0 . . . . . . A 114 LEU HD23 . 30237 1 1255 . 1 1 114 114 LEU C C 13 176.891 0 . . . . . . A 114 LEU C . 30237 1 1256 . 1 1 114 114 LEU CA C 13 54.869 0 . . . . . . A 114 LEU CA . 30237 1 1257 . 1 1 114 114 LEU CB C 13 42.649 0 . . . . . . A 114 LEU CB . 30237 1 1258 . 1 1 114 114 LEU CG C 13 27.191 0 . . . . . . A 114 LEU CG . 30237 1 1259 . 1 1 114 114 LEU CD1 C 13 23.578 0 . . . . . . A 114 LEU CD1 . 30237 1 1260 . 1 1 114 114 LEU N N 15 125.705 0 . . . . . . A 114 LEU N . 30237 1 1261 . 1 1 115 115 SER H H 1 8.419 0 . . . . . . A 115 SER H . 30237 1 1262 . 1 1 115 115 SER HA H 1 4.38 0 . . . . . . A 115 SER HA . 30237 1 1263 . 1 1 115 115 SER HB2 H 1 3.907 0 . . . . . . A 115 SER HB2 . 30237 1 1264 . 1 1 115 115 SER CA C 13 56.351 0 . . . . . . A 115 SER CA . 30237 1 1265 . 1 1 115 115 SER CB C 13 63.489 0 . . . . . . A 115 SER CB . 30237 1 1266 . 1 1 115 115 SER N N 15 118.315 0 . . . . . . A 115 SER N . 30237 1 1267 . 1 1 116 116 PRO HA H 1 4.458 0 . . . . . . A 116 PRO HA . 30237 1 1268 . 1 1 116 116 PRO HB2 H 1 2.353 0 . . . . . . A 116 PRO HB2 . 30237 1 1269 . 1 1 116 116 PRO HB3 H 1 2.016 0 . . . . . . A 116 PRO HB3 . 30237 1 1270 . 1 1 116 116 PRO HG2 H 1 2.092 0 . . . . . . A 116 PRO HG2 . 30237 1 1271 . 1 1 116 116 PRO HG3 H 1 2.066 0 . . . . . . A 116 PRO HG3 . 30237 1 1272 . 1 1 116 116 PRO HD2 H 1 3.852 0 . . . . . . A 116 PRO HD2 . 30237 1 1273 . 1 1 116 116 PRO HD3 H 1 3.81 0 . . . . . . A 116 PRO HD3 . 30237 1 1274 . 1 1 116 116 PRO C C 13 177.255 0 . . . . . . A 116 PRO C . 30237 1 1275 . 1 1 116 116 PRO CA C 13 63.779 0 . . . . . . A 116 PRO CA . 30237 1 1276 . 1 1 116 116 PRO CB C 13 32.082 0 . . . . . . A 116 PRO CB . 30237 1 1277 . 1 1 116 116 PRO CG C 13 27.432 0 . . . . . . A 116 PRO CG . 30237 1 1278 . 1 1 116 116 PRO CD C 13 50.763 0 . . . . . . A 116 PRO CD . 30237 1 1279 . 1 1 117 117 SER H H 1 8.32 0 . . . . . . A 117 SER H . 30237 1 1280 . 1 1 117 117 SER HA H 1 4.45 0 . . . . . . A 117 SER HA . 30237 1 1281 . 1 1 117 117 SER HB3 H 1 3.92 0 . . . . . . A 117 SER HB3 . 30237 1 1282 . 1 1 117 117 SER C C 13 174.852 0 . . . . . . A 117 SER C . 30237 1 1283 . 1 1 117 117 SER CA C 13 58.746 0 . . . . . . A 117 SER CA . 30237 1 1284 . 1 1 117 117 SER CB C 13 63.695 0 . . . . . . A 117 SER CB . 30237 1 1285 . 1 1 117 117 SER N N 15 115.034 0 . . . . . . A 117 SER N . 30237 1 1286 . 1 1 118 118 GLU H H 1 8.333 0 . . . . . . A 118 GLU H . 30237 1 1287 . 1 1 118 118 GLU HA H 1 4.333 0 . . . . . . A 118 GLU HA . 30237 1 1288 . 1 1 118 118 GLU HB2 H 1 2.091 0 . . . . . . A 118 GLU HB2 . 30237 1 1289 . 1 1 118 118 GLU HB3 H 1 2.126 0 . . . . . . A 118 GLU HB3 . 30237 1 1290 . 1 1 118 118 GLU HG2 H 1 2.441 0 . . . . . . A 118 GLU HG2 . 30237 1 1291 . 1 1 118 118 GLU C C 13 176.556 0 . . . . . . A 118 GLU C . 30237 1 1292 . 1 1 118 118 GLU CA C 13 56.833 0 . . . . . . A 118 GLU CA . 30237 1 1293 . 1 1 118 118 GLU CB C 13 30.043 0 . . . . . . A 118 GLU CB . 30237 1 1294 . 1 1 118 118 GLU CG C 13 36.35 0 . . . . . . A 118 GLU CG . 30237 1 1295 . 1 1 118 118 GLU N N 15 122.807 0 . . . . . . A 118 GLU N . 30237 1 1296 . 1 1 119 119 LYS H H 1 8.264 0 . . . . . . A 119 LYS H . 30237 1 1297 . 1 1 119 119 LYS HA H 1 4.332 0 . . . . . . A 119 LYS HA . 30237 1 1298 . 1 1 119 119 LYS HB2 H 1 1.75 0 . . . . . . A 119 LYS HB2 . 30237 1 1299 . 1 1 119 119 LYS HB3 H 1 1.798 0 . . . . . . A 119 LYS HB3 . 30237 1 1300 . 1 1 119 119 LYS HG2 H 1 1.428 0 . . . . . . A 119 LYS HG2 . 30237 1 1301 . 1 1 119 119 LYS HG3 H 1 1.438 0 . . . . . . A 119 LYS HG3 . 30237 1 1302 . 1 1 119 119 LYS HD3 H 1 1.695 0 . . . . . . A 119 LYS HD3 . 30237 1 1303 . 1 1 119 119 LYS HE2 H 1 3.008 0 . . . . . . A 119 LYS HE2 . 30237 1 1304 . 1 1 119 119 LYS C C 13 176.556 0 . . . . . . A 119 LYS C . 30237 1 1305 . 1 1 119 119 LYS CA C 13 56.529 0 . . . . . . A 119 LYS CA . 30237 1 1306 . 1 1 119 119 LYS CB C 13 33.09 0 . . . . . . A 119 LYS CB . 30237 1 1307 . 1 1 119 119 LYS CG C 13 24.779 0 . . . . . . A 119 LYS CG . 30237 1 1308 . 1 1 119 119 LYS CD C 13 29.146 0 . . . . . . A 119 LYS CD . 30237 1 1309 . 1 1 119 119 LYS CE C 13 42.234 0 . . . . . . A 119 LYS CE . 30237 1 1310 . 1 1 119 119 LYS N N 15 121.727 0 . . . . . . A 119 LYS N . 30237 1 1311 . 1 1 120 120 SER H H 1 8.272 0 . . . . . . A 120 SER H . 30237 1 1312 . 1 1 120 120 SER HA H 1 4.452 0 . . . . . . A 120 SER HA . 30237 1 1313 . 1 1 120 120 SER HB3 H 1 3.87 0 . . . . . . A 120 SER HB3 . 30237 1 1314 . 1 1 120 120 SER C C 13 175.496 0 . . . . . . A 120 SER C . 30237 1 1315 . 1 1 120 120 SER CA C 13 58.541 0 . . . . . . A 120 SER CA . 30237 1 1316 . 1 1 120 120 SER CB C 13 63.802 0 . . . . . . A 120 SER CB . 30237 1 1317 . 1 1 120 120 SER N N 15 116.615 0 . . . . . . A 120 SER N . 30237 1 1318 . 1 1 121 121 TYR H H 1 8.168 0 . . . . . . A 121 TYR H . 30237 1 1319 . 1 1 121 121 TYR HA H 1 4.59 0 . . . . . . A 121 TYR HA . 30237 1 1320 . 1 1 121 121 TYR HB2 H 1 3.045 0 . . . . . . A 121 TYR HB2 . 30237 1 1321 . 1 1 121 121 TYR HB3 H 1 3.374 0 . . . . . . A 121 TYR HB3 . 30237 1 1322 . 1 1 121 121 TYR HD1 H 1 7.134 0 . . . . . . A 121 TYR HD1 . 30237 1 1323 . 1 1 121 121 TYR HE1 H 1 6.852 0 . . . . . . A 121 TYR HE1 . 30237 1 1324 . 1 1 121 121 TYR CA C 13 58.2 0 . . . . . . A 121 TYR CA . 30237 1 1325 . 1 1 121 121 TYR CB C 13 38.679 0 . . . . . . A 121 TYR CB . 30237 1 1326 . 1 1 121 121 TYR CD1 C 13 132.212 0 . . . . . . A 121 TYR CD1 . 30237 1 1327 . 1 1 121 121 TYR CE1 C 13 117.132 0 . . . . . . A 121 TYR CE1 . 30237 1 1328 . 1 1 121 121 TYR N N 15 122.018 0 . . . . . . A 121 TYR N . 30237 1 1329 . 1 1 122 122 GLN H H 1 8.164 0 . . . . . . A 122 GLN H . 30237 1 1330 . 1 1 122 122 GLN HA H 1 4.339 0 . . . . . . A 122 GLN HA . 30237 1 1331 . 1 1 122 122 GLN HB2 H 1 1.962 0 . . . . . . A 122 GLN HB2 . 30237 1 1332 . 1 1 122 122 GLN HB3 H 1 1.972 0 . . . . . . A 122 GLN HB3 . 30237 1 1333 . 1 1 122 122 GLN HG2 H 1 2.315 0 . . . . . . A 122 GLN HG2 . 30237 1 1334 . 1 1 122 122 GLN HE21 H 1 7.54 0 . . . . . . A 122 GLN HE21 . 30237 1 1335 . 1 1 122 122 GLN HE22 H 1 6.853 0 . . . . . . A 122 GLN HE22 . 30237 1 1336 . 1 1 122 122 GLN C C 13 175.369 0 . . . . . . A 122 GLN C . 30237 1 1337 . 1 1 122 122 GLN CA C 13 55.727 0 . . . . . . A 122 GLN CA . 30237 1 1338 . 1 1 122 122 GLN CB C 13 28.484 0 . . . . . . A 122 GLN CB . 30237 1 1339 . 1 1 122 122 GLN CG C 13 33.745 0 . . . . . . A 122 GLN CG . 30237 1 1340 . 1 1 122 122 GLN N N 15 121.998 0 . . . . . . A 122 GLN N . 30237 1 1341 . 1 1 122 122 GLN NE2 N 15 112.384 0 . . . . . . A 122 GLN NE2 . 30237 1 1342 . 1 1 123 123 GLU H H 1 8.323 0 . . . . . . A 123 GLU H . 30237 1 1343 . 1 1 123 123 GLU HA H 1 4.323 0 . . . . . . A 123 GLU HA . 30237 1 1344 . 1 1 123 123 GLU HB2 H 1 1.993 0 . . . . . . A 123 GLU HB2 . 30237 1 1345 . 1 1 123 123 GLU HB3 H 1 2.125 0 . . . . . . A 123 GLU HB3 . 30237 1 1346 . 1 1 123 123 GLU HG2 H 1 2.439 0 . . . . . . A 123 GLU HG2 . 30237 1 1347 . 1 1 123 123 GLU HG3 H 1 2.314 0 . . . . . . A 123 GLU HG3 . 30237 1 1348 . 1 1 123 123 GLU C C 13 175.859 0 . . . . . . A 123 GLU C . 30237 1 1349 . 1 1 123 123 GLU CA C 13 56.665 0 . . . . . . A 123 GLU CA . 30237 1 1350 . 1 1 123 123 GLU CB C 13 30.548 0 . . . . . . A 123 GLU CB . 30237 1 1351 . 1 1 123 123 GLU CG C 13 36.373 0 . . . . . . A 123 GLU CG . 30237 1 1352 . 1 1 123 123 GLU N N 15 122.561 0 . . . . . . A 123 GLU N . 30237 1 1353 . 1 1 124 124 GLY H H 1 8.036 0 . . . . . . A 124 GLY H . 30237 1 1354 . 1 1 124 124 GLY HA2 H 1 3.818 0 . . . . . . A 124 GLY HA2 . 30237 1 1355 . 1 1 124 124 GLY CA C 13 46.209 0 . . . . . . A 124 GLY CA . 30237 1 1356 . 1 1 124 124 GLY N N 15 116.281 0 . . . . . . A 124 GLY N . 30237 1 stop_ save_