data_30444 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30444 _Entry.Title ; Solution structure of the Extraterminal (ET) Domain of BRD2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-03-26 _Entry.Accession_date 2018-03-26 _Entry.Last_release_date 2018-04-11 _Entry.Original_release_date 2018-04-11 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30444 stop_ loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 S. Houliston S. . . . 30444 2 A. Lemak A. . . . 30444 3 S. Picaud S. . . . 30444 4 P. Filippakopoulos P. . . . 30444 5 C. Arrowsmith C. H. . . 30444 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID TRANSCRIPTION . 30444 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30444 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 528 30444 '15N chemical shifts' 116 30444 '1H chemical shifts' 864 30444 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2019-03-01 . original BMRB . 30444 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6CUI . 30444 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30444 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the Extraterminal (ET) Domain of BRD2 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 S. Houliston S. . . . 30444 1 2 A. Lemak A. . . . 30444 1 3 S. Picaud S. . . . 30444 1 4 P. Filippakopoulos P. . . . 30444 1 5 C. Arrowsmith C. H. . . 30444 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30444 _Assembly.ID 1 _Assembly.Name 'Bromodomain-containing protein 2' _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 . . . . . . 30444 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30444 _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 ; SMKTAPPALPTGYDSEEEEE SRPMSYDEKRQLSLDINKLP GEKLGRVVHIIQAREPSLRD SNPEEIEIDFETLKPSTLRE LERYVLSCLRKKPRKPYTIK KPVGKTKEELALEKKRELEK RLQDVSGQLNST ; _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 132 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15275.450 _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 O27.1.1 na 30444 1 'Really interesting new gene 3 protein' na 30444 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 . 30444 1 2 . MET . 30444 1 3 . LYS . 30444 1 4 . THR . 30444 1 5 . ALA . 30444 1 6 . PRO . 30444 1 7 . PRO . 30444 1 8 . ALA . 30444 1 9 . LEU . 30444 1 10 . PRO . 30444 1 11 . THR . 30444 1 12 . GLY . 30444 1 13 . TYR . 30444 1 14 . ASP . 30444 1 15 . SER . 30444 1 16 . GLU . 30444 1 17 . GLU . 30444 1 18 . GLU . 30444 1 19 . GLU . 30444 1 20 . GLU . 30444 1 21 . SER . 30444 1 22 . ARG . 30444 1 23 . PRO . 30444 1 24 . MET . 30444 1 25 . SER . 30444 1 26 . TYR . 30444 1 27 . ASP . 30444 1 28 . GLU . 30444 1 29 . LYS . 30444 1 30 . ARG . 30444 1 31 . GLN . 30444 1 32 . LEU . 30444 1 33 . SER . 30444 1 34 . LEU . 30444 1 35 . ASP . 30444 1 36 . ILE . 30444 1 37 . ASN . 30444 1 38 . LYS . 30444 1 39 . LEU . 30444 1 40 . PRO . 30444 1 41 . GLY . 30444 1 42 . GLU . 30444 1 43 . LYS . 30444 1 44 . LEU . 30444 1 45 . GLY . 30444 1 46 . ARG . 30444 1 47 . VAL . 30444 1 48 . VAL . 30444 1 49 . HIS . 30444 1 50 . ILE . 30444 1 51 . ILE . 30444 1 52 . GLN . 30444 1 53 . ALA . 30444 1 54 . ARG . 30444 1 55 . GLU . 30444 1 56 . PRO . 30444 1 57 . SER . 30444 1 58 . LEU . 30444 1 59 . ARG . 30444 1 60 . ASP . 30444 1 61 . SER . 30444 1 62 . ASN . 30444 1 63 . PRO . 30444 1 64 . GLU . 30444 1 65 . GLU . 30444 1 66 . ILE . 30444 1 67 . GLU . 30444 1 68 . ILE . 30444 1 69 . ASP . 30444 1 70 . PHE . 30444 1 71 . GLU . 30444 1 72 . THR . 30444 1 73 . LEU . 30444 1 74 . LYS . 30444 1 75 . PRO . 30444 1 76 . SER . 30444 1 77 . THR . 30444 1 78 . LEU . 30444 1 79 . ARG . 30444 1 80 . GLU . 30444 1 81 . LEU . 30444 1 82 . GLU . 30444 1 83 . ARG . 30444 1 84 . TYR . 30444 1 85 . VAL . 30444 1 86 . LEU . 30444 1 87 . SER . 30444 1 88 . CYS . 30444 1 89 . LEU . 30444 1 90 . ARG . 30444 1 91 . LYS . 30444 1 92 . LYS . 30444 1 93 . PRO . 30444 1 94 . ARG . 30444 1 95 . LYS . 30444 1 96 . PRO . 30444 1 97 . TYR . 30444 1 98 . THR . 30444 1 99 . ILE . 30444 1 100 . LYS . 30444 1 101 . LYS . 30444 1 102 . PRO . 30444 1 103 . VAL . 30444 1 104 . GLY . 30444 1 105 . LYS . 30444 1 106 . THR . 30444 1 107 . LYS . 30444 1 108 . GLU . 30444 1 109 . GLU . 30444 1 110 . LEU . 30444 1 111 . ALA . 30444 1 112 . LEU . 30444 1 113 . GLU . 30444 1 114 . LYS . 30444 1 115 . LYS . 30444 1 116 . ARG . 30444 1 117 . GLU . 30444 1 118 . LEU . 30444 1 119 . GLU . 30444 1 120 . LYS . 30444 1 121 . ARG . 30444 1 122 . LEU . 30444 1 123 . GLN . 30444 1 124 . ASP . 30444 1 125 . VAL . 30444 1 126 . SER . 30444 1 127 . GLY . 30444 1 128 . GLN . 30444 1 129 . LEU . 30444 1 130 . ASN . 30444 1 131 . SER . 30444 1 132 . THR . 30444 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 30444 1 . MET 2 2 30444 1 . LYS 3 3 30444 1 . THR 4 4 30444 1 . ALA 5 5 30444 1 . PRO 6 6 30444 1 . PRO 7 7 30444 1 . ALA 8 8 30444 1 . LEU 9 9 30444 1 . PRO 10 10 30444 1 . THR 11 11 30444 1 . GLY 12 12 30444 1 . TYR 13 13 30444 1 . ASP 14 14 30444 1 . SER 15 15 30444 1 . GLU 16 16 30444 1 . GLU 17 17 30444 1 . GLU 18 18 30444 1 . GLU 19 19 30444 1 . GLU 20 20 30444 1 . SER 21 21 30444 1 . ARG 22 22 30444 1 . PRO 23 23 30444 1 . MET 24 24 30444 1 . SER 25 25 30444 1 . TYR 26 26 30444 1 . ASP 27 27 30444 1 . GLU 28 28 30444 1 . LYS 29 29 30444 1 . ARG 30 30 30444 1 . GLN 31 31 30444 1 . LEU 32 32 30444 1 . SER 33 33 30444 1 . LEU 34 34 30444 1 . ASP 35 35 30444 1 . ILE 36 36 30444 1 . ASN 37 37 30444 1 . LYS 38 38 30444 1 . LEU 39 39 30444 1 . PRO 40 40 30444 1 . GLY 41 41 30444 1 . GLU 42 42 30444 1 . LYS 43 43 30444 1 . LEU 44 44 30444 1 . GLY 45 45 30444 1 . ARG 46 46 30444 1 . VAL 47 47 30444 1 . VAL 48 48 30444 1 . HIS 49 49 30444 1 . ILE 50 50 30444 1 . ILE 51 51 30444 1 . GLN 52 52 30444 1 . ALA 53 53 30444 1 . ARG 54 54 30444 1 . GLU 55 55 30444 1 . PRO 56 56 30444 1 . SER 57 57 30444 1 . LEU 58 58 30444 1 . ARG 59 59 30444 1 . ASP 60 60 30444 1 . SER 61 61 30444 1 . ASN 62 62 30444 1 . PRO 63 63 30444 1 . GLU 64 64 30444 1 . GLU 65 65 30444 1 . ILE 66 66 30444 1 . GLU 67 67 30444 1 . ILE 68 68 30444 1 . ASP 69 69 30444 1 . PHE 70 70 30444 1 . GLU 71 71 30444 1 . THR 72 72 30444 1 . LEU 73 73 30444 1 . LYS 74 74 30444 1 . PRO 75 75 30444 1 . SER 76 76 30444 1 . THR 77 77 30444 1 . LEU 78 78 30444 1 . ARG 79 79 30444 1 . GLU 80 80 30444 1 . LEU 81 81 30444 1 . GLU 82 82 30444 1 . ARG 83 83 30444 1 . TYR 84 84 30444 1 . VAL 85 85 30444 1 . LEU 86 86 30444 1 . SER 87 87 30444 1 . CYS 88 88 30444 1 . LEU 89 89 30444 1 . ARG 90 90 30444 1 . LYS 91 91 30444 1 . LYS 92 92 30444 1 . PRO 93 93 30444 1 . ARG 94 94 30444 1 . LYS 95 95 30444 1 . PRO 96 96 30444 1 . TYR 97 97 30444 1 . THR 98 98 30444 1 . ILE 99 99 30444 1 . LYS 100 100 30444 1 . LYS 101 101 30444 1 . PRO 102 102 30444 1 . VAL 103 103 30444 1 . GLY 104 104 30444 1 . LYS 105 105 30444 1 . THR 106 106 30444 1 . LYS 107 107 30444 1 . GLU 108 108 30444 1 . GLU 109 109 30444 1 . LEU 110 110 30444 1 . ALA 111 111 30444 1 . LEU 112 112 30444 1 . GLU 113 113 30444 1 . LYS 114 114 30444 1 . LYS 115 115 30444 1 . ARG 116 116 30444 1 . GLU 117 117 30444 1 . LEU 118 118 30444 1 . GLU 119 119 30444 1 . LYS 120 120 30444 1 . ARG 121 121 30444 1 . LEU 122 122 30444 1 . GLN 123 123 30444 1 . ASP 124 124 30444 1 . VAL 125 125 30444 1 . SER 126 126 30444 1 . GLY 127 127 30444 1 . GLN 128 128 30444 1 . LEU 129 129 30444 1 . ASN 130 130 30444 1 . SER 131 131 30444 1 . THR 132 132 30444 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 30444 _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 . . . . . . . . . . . 'BRD2, KIAA9001, RING3' . 30444 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 30444 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 30444 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30444 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '250 uM [U-13C; U-15N] BRD2-ET, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BRD2-ET '[U-13C; U-15N]' . . 1 $entity_1 . . 250 . . uM . . . . 30444 1 2 NaCl 'natural abundance' . . . . . . 500 . . mM . . . . 30444 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 30444 _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' 500 . mM 30444 1 pH 7.5 . pH 30444 1 pressure 1 . atm 30444 1 temperature 298 . K 30444 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30444 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 30444 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30444 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30444 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30444 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30444 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30444 _Software.ID 3 _Software.Type . _Software.Name ABACUS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lemak and Arrowsmith' . . 30444 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30444 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30444 _Software.ID 4 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30444 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 30444 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 30444 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30444 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _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 30444 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceII . 800 . . . 30444 1 2 NMR_spectrometer_2 Bruker AvanceIII . 600 . . . 30444 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 30444 _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 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30444 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30444 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30444 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30444 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30444 1 6 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30444 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30444 1 8 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30444 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30444 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 30444 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.251 . . . . . 30444 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 30444 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101 . . . . . 30444 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 30444 _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 '3D 1H-15N NOESY' . . . 30444 1 2 '3D 1H-13C NOESY' . . . 30444 1 3 '3D CBCA(CO)NH' . . . 30444 1 4 '3D HNCO' . . . 30444 1 5 '3D HBHA(CO)NH' . . . 30444 1 6 '2D 1H-13C HSQC aliphatic' . . . 30444 1 7 '2D 1H-15N HSQC' . . . 30444 1 8 '3D HNCA' . . . 30444 1 9 '3D HCCH-TOCSY' . . . 30444 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 3 3 LYS HA H 1 4.383 0.04 . 1 . . . . A 3 LYS HA . 30444 1 2 . 1 1 3 3 LYS HB2 H 1 1.774 0.04 . 2 . . . . A 3 LYS HB2 . 30444 1 3 . 1 1 3 3 LYS HB3 H 1 1.774 0.04 . 2 . . . . A 3 LYS HB3 . 30444 1 4 . 1 1 3 3 LYS HG2 H 1 1.422 0.04 . 2 . . . . A 3 LYS HG2 . 30444 1 5 . 1 1 3 3 LYS HG3 H 1 1.422 0.04 . 2 . . . . A 3 LYS HG3 . 30444 1 6 . 1 1 3 3 LYS HD2 H 1 1.688 0.04 . 2 . . . . A 3 LYS HD2 . 30444 1 7 . 1 1 3 3 LYS HD3 H 1 1.688 0.04 . 2 . . . . A 3 LYS HD3 . 30444 1 8 . 1 1 3 3 LYS HE2 H 1 3.007 0.04 . 2 . . . . A 3 LYS HE2 . 30444 1 9 . 1 1 3 3 LYS HE3 H 1 3.007 0.04 . 2 . . . . A 3 LYS HE3 . 30444 1 10 . 1 1 3 3 LYS CA C 13 56.628 0.40 . 1 . . . . A 3 LYS CA . 30444 1 11 . 1 1 3 3 LYS CB C 13 33.059 0.40 . 1 . . . . A 3 LYS CB . 30444 1 12 . 1 1 3 3 LYS CG C 13 24.836 0.40 . 1 . . . . A 3 LYS CG . 30444 1 13 . 1 1 3 3 LYS CD C 13 29.262 0.40 . 1 . . . . A 3 LYS CD . 30444 1 14 . 1 1 3 3 LYS CE C 13 42.271 0.40 . 1 . . . . A 3 LYS CE . 30444 1 15 . 1 1 4 4 THR H H 1 8.076 0.04 . 1 . . . . A 4 THR H . 30444 1 16 . 1 1 4 4 THR HA H 1 4.303 0.04 . 1 . . . . A 4 THR HA . 30444 1 17 . 1 1 4 4 THR HB H 1 4.164 0.04 . 1 . . . . A 4 THR HB . 30444 1 18 . 1 1 4 4 THR HG21 H 1 1.199 0.04 . 1 . . . . A 4 THR HG21 . 30444 1 19 . 1 1 4 4 THR HG22 H 1 1.199 0.04 . 1 . . . . A 4 THR HG22 . 30444 1 20 . 1 1 4 4 THR HG23 H 1 1.199 0.04 . 1 . . . . A 4 THR HG23 . 30444 1 21 . 1 1 4 4 THR C C 13 173.811 0.40 . 1 . . . . A 4 THR C . 30444 1 22 . 1 1 4 4 THR CA C 13 61.615 0.40 . 1 . . . . A 4 THR CA . 30444 1 23 . 1 1 4 4 THR CB C 13 70.026 0.40 . 1 . . . . A 4 THR CB . 30444 1 24 . 1 1 4 4 THR CG2 C 13 21.766 0.40 . 1 . . . . A 4 THR CG2 . 30444 1 25 . 1 1 4 4 THR N N 15 115.592 0.40 . 1 . . . . A 4 THR N . 30444 1 26 . 1 1 5 5 ALA H H 1 8.266 0.04 . 1 . . . . A 5 ALA H . 30444 1 27 . 1 1 5 5 ALA HA H 1 4.611 0.04 . 1 . . . . A 5 ALA HA . 30444 1 28 . 1 1 5 5 ALA HB1 H 1 1.346 0.04 . 1 . . . . A 5 ALA HB1 . 30444 1 29 . 1 1 5 5 ALA HB2 H 1 1.346 0.04 . 1 . . . . A 5 ALA HB2 . 30444 1 30 . 1 1 5 5 ALA HB3 H 1 1.346 0.04 . 1 . . . . A 5 ALA HB3 . 30444 1 31 . 1 1 5 5 ALA CA C 13 50.551 0.40 . 1 . . . . A 5 ALA CA . 30444 1 32 . 1 1 5 5 ALA CB C 13 18.351 0.40 . 1 . . . . A 5 ALA CB . 30444 1 33 . 1 1 5 5 ALA N N 15 128.019 0.40 . 1 . . . . A 5 ALA N . 30444 1 34 . 1 1 6 6 PRO HA H 1 4.684 0.04 . 1 . . . . A 6 PRO HA . 30444 1 35 . 1 1 6 6 PRO HB2 H 1 1.894 0.04 . 2 . . . . A 6 PRO HB2 . 30444 1 36 . 1 1 6 6 PRO HB3 H 1 2.342 0.04 . 2 . . . . A 6 PRO HB3 . 30444 1 37 . 1 1 6 6 PRO HG2 H 1 2.032 0.04 . 2 . . . . A 6 PRO HG2 . 30444 1 38 . 1 1 6 6 PRO HG3 H 1 2.032 0.04 . 2 . . . . A 6 PRO HG3 . 30444 1 39 . 1 1 6 6 PRO HD2 H 1 3.617 0.04 . 2 . . . . A 6 PRO HD2 . 30444 1 40 . 1 1 6 6 PRO HD3 H 1 3.819 0.04 . 2 . . . . A 6 PRO HD3 . 30444 1 41 . 1 1 6 6 PRO CA C 13 61.447 0.40 . 1 . . . . A 6 PRO CA . 30444 1 42 . 1 1 6 6 PRO CB C 13 30.839 0.40 . 1 . . . . A 6 PRO CB . 30444 1 43 . 1 1 6 6 PRO CG C 13 27.465 0.40 . 1 . . . . A 6 PRO CG . 30444 1 44 . 1 1 6 6 PRO CD C 13 50.593 0.40 . 1 . . . . A 6 PRO CD . 30444 1 45 . 1 1 7 7 PRO HA H 1 4.384 0.04 . 1 . . . . A 7 PRO HA . 30444 1 46 . 1 1 7 7 PRO HB2 H 1 1.870 0.04 . 2 . . . . A 7 PRO HB2 . 30444 1 47 . 1 1 7 7 PRO HB3 H 1 2.275 0.04 . 2 . . . . A 7 PRO HB3 . 30444 1 48 . 1 1 7 7 PRO HG2 H 1 2.010 0.04 . 2 . . . . A 7 PRO HG2 . 30444 1 49 . 1 1 7 7 PRO HG3 H 1 2.010 0.04 . 2 . . . . A 7 PRO HG3 . 30444 1 50 . 1 1 7 7 PRO HD2 H 1 3.627 0.04 . 2 . . . . A 7 PRO HD2 . 30444 1 51 . 1 1 7 7 PRO HD3 H 1 3.791 0.04 . 2 . . . . A 7 PRO HD3 . 30444 1 52 . 1 1 7 7 PRO C C 13 176.494 0.40 . 1 . . . . A 7 PRO C . 30444 1 53 . 1 1 7 7 PRO CA C 13 62.933 0.40 . 1 . . . . A 7 PRO CA . 30444 1 54 . 1 1 7 7 PRO CB C 13 32.124 0.40 . 1 . . . . A 7 PRO CB . 30444 1 55 . 1 1 7 7 PRO CG C 13 27.391 0.40 . 1 . . . . A 7 PRO CG . 30444 1 56 . 1 1 7 7 PRO CD C 13 50.654 0.40 . 1 . . . . A 7 PRO CD . 30444 1 57 . 1 1 8 8 ALA H H 1 8.261 0.04 . 1 . . . . A 8 ALA H . 30444 1 58 . 1 1 8 8 ALA HA H 1 4.292 0.04 . 1 . . . . A 8 ALA HA . 30444 1 59 . 1 1 8 8 ALA HB1 H 1 1.343 0.04 . 1 . . . . A 8 ALA HB1 . 30444 1 60 . 1 1 8 8 ALA HB2 H 1 1.343 0.04 . 1 . . . . A 8 ALA HB2 . 30444 1 61 . 1 1 8 8 ALA HB3 H 1 1.343 0.04 . 1 . . . . A 8 ALA HB3 . 30444 1 62 . 1 1 8 8 ALA C C 13 177.455 0.40 . 1 . . . . A 8 ALA C . 30444 1 63 . 1 1 8 8 ALA CA C 13 52.151 0.40 . 1 . . . . A 8 ALA CA . 30444 1 64 . 1 1 8 8 ALA CB C 13 19.351 0.40 . 1 . . . . A 8 ALA CB . 30444 1 65 . 1 1 8 8 ALA N N 15 124.187 0.40 . 1 . . . . A 8 ALA N . 30444 1 66 . 1 1 9 9 LEU H H 1 8.141 0.04 . 1 . . . . A 9 LEU H . 30444 1 67 . 1 1 9 9 LEU HA H 1 4.591 0.04 . 1 . . . . A 9 LEU HA . 30444 1 68 . 1 1 9 9 LEU HB2 H 1 1.479 0.04 . 2 . . . . A 9 LEU HB2 . 30444 1 69 . 1 1 9 9 LEU HB3 H 1 1.549 0.04 . 2 . . . . A 9 LEU HB3 . 30444 1 70 . 1 1 9 9 LEU HG H 1 1.647 0.04 . 1 . . . . A 9 LEU HG . 30444 1 71 . 1 1 9 9 LEU HD11 H 1 0.885 0.04 . 2 . . . . A 9 LEU HD11 . 30444 1 72 . 1 1 9 9 LEU HD12 H 1 0.885 0.04 . 2 . . . . A 9 LEU HD12 . 30444 1 73 . 1 1 9 9 LEU HD13 H 1 0.885 0.04 . 2 . . . . A 9 LEU HD13 . 30444 1 74 . 1 1 9 9 LEU HD21 H 1 0.859 0.04 . 2 . . . . A 9 LEU HD21 . 30444 1 75 . 1 1 9 9 LEU HD22 H 1 0.859 0.04 . 2 . . . . A 9 LEU HD22 . 30444 1 76 . 1 1 9 9 LEU HD23 H 1 0.859 0.04 . 2 . . . . A 9 LEU HD23 . 30444 1 77 . 1 1 9 9 LEU CA C 13 52.872 0.40 . 1 . . . . A 9 LEU CA . 30444 1 78 . 1 1 9 9 LEU CB C 13 41.926 0.40 . 1 . . . . A 9 LEU CB . 30444 1 79 . 1 1 9 9 LEU CG C 13 27.057 0.40 . 1 . . . . A 9 LEU CG . 30444 1 80 . 1 1 9 9 LEU CD1 C 13 25.128 0.40 . 2 . . . . A 9 LEU CD1 . 30444 1 81 . 1 1 9 9 LEU CD2 C 13 23.552 0.40 . 2 . . . . A 9 LEU CD2 . 30444 1 82 . 1 1 9 9 LEU N N 15 122.756 0.40 . 1 . . . . A 9 LEU N . 30444 1 83 . 1 1 10 10 PRO HA H 1 4.486 0.04 . 1 . . . . A 10 PRO HA . 30444 1 84 . 1 1 10 10 PRO HB2 H 1 1.905 0.04 . 2 . . . . A 10 PRO HB2 . 30444 1 85 . 1 1 10 10 PRO HB3 H 1 2.275 0.04 . 2 . . . . A 10 PRO HB3 . 30444 1 86 . 1 1 10 10 PRO HG2 H 1 1.972 0.04 . 2 . . . . A 10 PRO HG2 . 30444 1 87 . 1 1 10 10 PRO HG3 H 1 1.972 0.04 . 2 . . . . A 10 PRO HG3 . 30444 1 88 . 1 1 10 10 PRO HD2 H 1 3.621 0.04 . 2 . . . . A 10 PRO HD2 . 30444 1 89 . 1 1 10 10 PRO HD3 H 1 3.811 0.04 . 2 . . . . A 10 PRO HD3 . 30444 1 90 . 1 1 10 10 PRO C C 13 177.165 0.40 . 1 . . . . A 10 PRO C . 30444 1 91 . 1 1 10 10 PRO CA C 13 63.136 0.40 . 1 . . . . A 10 PRO CA . 30444 1 92 . 1 1 10 10 PRO CB C 13 32.202 0.40 . 1 . . . . A 10 PRO CB . 30444 1 93 . 1 1 10 10 PRO CG C 13 27.488 0.40 . 1 . . . . A 10 PRO CG . 30444 1 94 . 1 1 10 10 PRO CD C 13 50.883 0.40 . 1 . . . . A 10 PRO CD . 30444 1 95 . 1 1 11 11 THR H H 1 8.209 0.04 . 1 . . . . A 11 THR H . 30444 1 96 . 1 1 11 11 THR HA H 1 4.234 0.04 . 1 . . . . A 11 THR HA . 30444 1 97 . 1 1 11 11 THR HB H 1 4.234 0.04 . 1 . . . . A 11 THR HB . 30444 1 98 . 1 1 11 11 THR C C 13 175.326 0.40 . 1 . . . . A 11 THR C . 30444 1 99 . 1 1 11 11 THR CA C 13 62.190 0.40 . 1 . . . . A 11 THR CA . 30444 1 100 . 1 1 11 11 THR CB C 13 69.930 0.40 . 1 . . . . A 11 THR CB . 30444 1 101 . 1 1 11 11 THR N N 15 113.984 0.40 . 1 . . . . A 11 THR N . 30444 1 102 . 1 1 12 12 GLY H H 1 8.371 0.04 . 1 . . . . A 12 GLY H . 30444 1 103 . 1 1 12 12 GLY HA2 H 1 3.949 0.04 . 2 . . . . A 12 GLY HA2 . 30444 1 104 . 1 1 12 12 GLY HA3 H 1 3.949 0.04 . 2 . . . . A 12 GLY HA3 . 30444 1 105 . 1 1 12 12 GLY C C 13 173.951 0.40 . 1 . . . . A 12 GLY C . 30444 1 106 . 1 1 12 12 GLY CA C 13 45.341 0.40 . 1 . . . . A 12 GLY CA . 30444 1 107 . 1 1 12 12 GLY N N 15 110.980 0.40 . 1 . . . . A 12 GLY N . 30444 1 108 . 1 1 13 13 TYR H H 1 8.003 0.04 . 1 . . . . A 13 TYR H . 30444 1 109 . 1 1 13 13 TYR HA H 1 4.557 0.04 . 1 . . . . A 13 TYR HA . 30444 1 110 . 1 1 13 13 TYR HB2 H 1 2.925 0.04 . 2 . . . . A 13 TYR HB2 . 30444 1 111 . 1 1 13 13 TYR HB3 H 1 3.054 0.04 . 2 . . . . A 13 TYR HB3 . 30444 1 112 . 1 1 13 13 TYR HD1 H 1 7.072 0.04 . 3 . . . . A 13 TYR HD1 . 30444 1 113 . 1 1 13 13 TYR HD2 H 1 7.072 0.04 . 3 . . . . A 13 TYR HD2 . 30444 1 114 . 1 1 13 13 TYR HE1 H 1 6.799 0.04 . 3 . . . . A 13 TYR HE1 . 30444 1 115 . 1 1 13 13 TYR HE2 H 1 6.799 0.04 . 3 . . . . A 13 TYR HE2 . 30444 1 116 . 1 1 13 13 TYR C C 13 175.505 0.40 . 1 . . . . A 13 TYR C . 30444 1 117 . 1 1 13 13 TYR CA C 13 58.009 0.40 . 1 . . . . A 13 TYR CA . 30444 1 118 . 1 1 13 13 TYR CB C 13 38.931 0.40 . 1 . . . . A 13 TYR CB . 30444 1 119 . 1 1 13 13 TYR CD1 C 13 133.299 0.40 . 3 . . . . A 13 TYR CD1 . 30444 1 120 . 1 1 13 13 TYR CE1 C 13 118.300 0.40 . 3 . . . . A 13 TYR CE1 . 30444 1 121 . 1 1 13 13 TYR N N 15 119.990 0.40 . 1 . . . . A 13 TYR N . 30444 1 122 . 1 1 14 14 ASP H H 1 8.354 0.04 . 1 . . . . A 14 ASP H . 30444 1 123 . 1 1 14 14 ASP HA H 1 4.604 0.04 . 1 . . . . A 14 ASP HA . 30444 1 124 . 1 1 14 14 ASP HB2 H 1 2.572 0.04 . 2 . . . . A 14 ASP HB2 . 30444 1 125 . 1 1 14 14 ASP HB3 H 1 2.673 0.04 . 2 . . . . A 14 ASP HB3 . 30444 1 126 . 1 1 14 14 ASP C C 13 176.072 0.40 . 1 . . . . A 14 ASP C . 30444 1 127 . 1 1 14 14 ASP CA C 13 54.194 0.40 . 1 . . . . A 14 ASP CA . 30444 1 128 . 1 1 14 14 ASP CB C 13 41.460 0.40 . 1 . . . . A 14 ASP CB . 30444 1 129 . 1 1 14 14 ASP N N 15 122.333 0.40 . 1 . . . . A 14 ASP N . 30444 1 130 . 1 1 15 15 SER H H 1 8.140 0.04 . 1 . . . . A 15 SER H . 30444 1 131 . 1 1 15 15 SER HA H 1 4.398 0.04 . 1 . . . . A 15 SER HA . 30444 1 132 . 1 1 15 15 SER HB2 H 1 3.837 0.04 . 2 . . . . A 15 SER HB2 . 30444 1 133 . 1 1 15 15 SER HB3 H 1 3.919 0.04 . 2 . . . . A 15 SER HB3 . 30444 1 134 . 1 1 15 15 SER C C 13 174.809 0.40 . 1 . . . . A 15 SER C . 30444 1 135 . 1 1 15 15 SER CA C 13 58.667 0.40 . 1 . . . . A 15 SER CA . 30444 1 136 . 1 1 15 15 SER CB C 13 64.048 0.40 . 1 . . . . A 15 SER CB . 30444 1 137 . 1 1 15 15 SER N N 15 116.244 0.40 . 1 . . . . A 15 SER N . 30444 1 138 . 1 1 16 16 GLU H H 1 8.476 0.04 . 1 . . . . A 16 GLU H . 30444 1 139 . 1 1 16 16 GLU HA H 1 4.265 0.04 . 1 . . . . A 16 GLU HA . 30444 1 140 . 1 1 16 16 GLU HB2 H 1 1.953 0.04 . 2 . . . . A 16 GLU HB2 . 30444 1 141 . 1 1 16 16 GLU HB3 H 1 2.046 0.04 . 2 . . . . A 16 GLU HB3 . 30444 1 142 . 1 1 16 16 GLU HG2 H 1 2.251 0.04 . 2 . . . . A 16 GLU HG2 . 30444 1 143 . 1 1 16 16 GLU HG3 H 1 2.278 0.04 . 2 . . . . A 16 GLU HG3 . 30444 1 144 . 1 1 16 16 GLU C C 13 176.767 0.40 . 1 . . . . A 16 GLU C . 30444 1 145 . 1 1 16 16 GLU CA C 13 56.879 0.40 . 1 . . . . A 16 GLU CA . 30444 1 146 . 1 1 16 16 GLU CB C 13 30.169 0.40 . 1 . . . . A 16 GLU CB . 30444 1 147 . 1 1 16 16 GLU CG C 13 36.334 0.40 . 1 . . . . A 16 GLU CG . 30444 1 148 . 1 1 16 16 GLU N N 15 122.645 0.40 . 1 . . . . A 16 GLU N . 30444 1 149 . 1 1 17 17 GLU H H 1 8.284 0.04 . 1 . . . . A 17 GLU H . 30444 1 150 . 1 1 17 17 GLU HA H 1 4.248 0.04 . 1 . . . . A 17 GLU HA . 30444 1 151 . 1 1 17 17 GLU HB2 H 1 1.912 0.04 . 2 . . . . A 17 GLU HB2 . 30444 1 152 . 1 1 17 17 GLU HB3 H 1 2.022 0.04 . 2 . . . . A 17 GLU HB3 . 30444 1 153 . 1 1 17 17 GLU HG2 H 1 2.252 0.04 . 2 . . . . A 17 GLU HG2 . 30444 1 154 . 1 1 17 17 GLU HG3 H 1 2.252 0.04 . 2 . . . . A 17 GLU HG3 . 30444 1 155 . 1 1 17 17 GLU C C 13 176.780 0.40 . 1 . . . . A 17 GLU C . 30444 1 156 . 1 1 17 17 GLU CA C 13 56.718 0.40 . 1 . . . . A 17 GLU CA . 30444 1 157 . 1 1 17 17 GLU CB C 13 30.367 0.40 . 1 . . . . A 17 GLU CB . 30444 1 158 . 1 1 17 17 GLU CG C 13 36.504 0.40 . 1 . . . . A 17 GLU CG . 30444 1 159 . 1 1 17 17 GLU N N 15 121.131 0.40 . 1 . . . . A 17 GLU N . 30444 1 160 . 1 1 18 18 GLU H H 1 8.353 0.04 . 1 . . . . A 18 GLU H . 30444 1 161 . 1 1 18 18 GLU HA H 1 4.251 0.04 . 1 . . . . A 18 GLU HA . 30444 1 162 . 1 1 18 18 GLU HB2 H 1 1.943 0.04 . 2 . . . . A 18 GLU HB2 . 30444 1 163 . 1 1 18 18 GLU HB3 H 1 2.011 0.04 . 2 . . . . A 18 GLU HB3 . 30444 1 164 . 1 1 18 18 GLU HG2 H 1 2.235 0.04 . 2 . . . . A 18 GLU HG2 . 30444 1 165 . 1 1 18 18 GLU HG3 H 1 2.235 0.04 . 2 . . . . A 18 GLU HG3 . 30444 1 166 . 1 1 18 18 GLU C C 13 176.858 0.40 . 1 . . . . A 18 GLU C . 30444 1 167 . 1 1 18 18 GLU CA C 13 56.879 0.40 . 1 . . . . A 18 GLU CA . 30444 1 168 . 1 1 18 18 GLU CB C 13 30.320 0.40 . 1 . . . . A 18 GLU CB . 30444 1 169 . 1 1 18 18 GLU CG C 13 36.351 0.40 . 1 . . . . A 18 GLU CG . 30444 1 170 . 1 1 18 18 GLU N N 15 121.927 0.40 . 1 . . . . A 18 GLU N . 30444 1 171 . 1 1 19 19 GLU H H 1 8.397 0.04 . 1 . . . . A 19 GLU H . 30444 1 172 . 1 1 19 19 GLU HA H 1 4.200 0.04 . 1 . . . . A 19 GLU HA . 30444 1 173 . 1 1 19 19 GLU HB2 H 1 1.987 0.04 . 2 . . . . A 19 GLU HB2 . 30444 1 174 . 1 1 19 19 GLU HB3 H 1 1.987 0.04 . 2 . . . . A 19 GLU HB3 . 30444 1 175 . 1 1 19 19 GLU C C 13 176.944 0.40 . 1 . . . . A 19 GLU C . 30444 1 176 . 1 1 19 19 GLU CA C 13 56.890 0.40 . 1 . . . . A 19 GLU CA . 30444 1 177 . 1 1 19 19 GLU CB C 13 30.413 0.40 . 1 . . . . A 19 GLU CB . 30444 1 178 . 1 1 19 19 GLU N N 15 121.943 0.40 . 1 . . . . A 19 GLU N . 30444 1 179 . 1 1 20 20 GLU H H 1 8.415 0.04 . 1 . . . . A 20 GLU H . 30444 1 180 . 1 1 20 20 GLU HA H 1 4.252 0.04 . 1 . . . . A 20 GLU HA . 30444 1 181 . 1 1 20 20 GLU HB2 H 1 1.965 0.04 . 2 . . . . A 20 GLU HB2 . 30444 1 182 . 1 1 20 20 GLU HB3 H 1 2.037 0.04 . 2 . . . . A 20 GLU HB3 . 30444 1 183 . 1 1 20 20 GLU HG2 H 1 2.276 0.04 . 2 . . . . A 20 GLU HG2 . 30444 1 184 . 1 1 20 20 GLU HG3 H 1 2.276 0.04 . 2 . . . . A 20 GLU HG3 . 30444 1 185 . 1 1 20 20 GLU C C 13 176.512 0.40 . 1 . . . . A 20 GLU C . 30444 1 186 . 1 1 20 20 GLU CA C 13 56.897 0.40 . 1 . . . . A 20 GLU CA . 30444 1 187 . 1 1 20 20 GLU CB C 13 30.126 0.40 . 1 . . . . A 20 GLU CB . 30444 1 188 . 1 1 20 20 GLU CG C 13 36.452 0.40 . 1 . . . . A 20 GLU CG . 30444 1 189 . 1 1 20 20 GLU N N 15 121.442 0.40 . 1 . . . . A 20 GLU N . 30444 1 190 . 1 1 21 21 SER H H 1 8.203 0.04 . 1 . . . . A 21 SER H . 30444 1 191 . 1 1 21 21 SER HA H 1 4.418 0.04 . 1 . . . . A 21 SER HA . 30444 1 192 . 1 1 21 21 SER HB2 H 1 3.702 0.04 . 2 . . . . A 21 SER HB2 . 30444 1 193 . 1 1 21 21 SER HB3 H 1 3.763 0.04 . 2 . . . . A 21 SER HB3 . 30444 1 194 . 1 1 21 21 SER C C 13 173.657 0.40 . 1 . . . . A 21 SER C . 30444 1 195 . 1 1 21 21 SER CA C 13 58.163 0.40 . 1 . . . . A 21 SER CA . 30444 1 196 . 1 1 21 21 SER CB C 13 63.969 0.40 . 1 . . . . A 21 SER CB . 30444 1 197 . 1 1 21 21 SER N N 15 116.671 0.40 . 1 . . . . A 21 SER N . 30444 1 198 . 1 1 22 22 ARG H H 1 8.283 0.04 . 1 . . . . A 22 ARG H . 30444 1 199 . 1 1 22 22 ARG N N 15 124.613 0.40 . 1 . . . . A 22 ARG N . 30444 1 200 . 1 1 23 23 PRO HA H 1 4.329 0.04 . 1 . . . . A 23 PRO HA . 30444 1 201 . 1 1 23 23 PRO HB2 H 1 1.830 0.04 . 2 . . . . A 23 PRO HB2 . 30444 1 202 . 1 1 23 23 PRO HB3 H 1 2.355 0.04 . 2 . . . . A 23 PRO HB3 . 30444 1 203 . 1 1 23 23 PRO HG2 H 1 1.964 0.04 . 2 . . . . A 23 PRO HG2 . 30444 1 204 . 1 1 23 23 PRO HG3 H 1 1.964 0.04 . 2 . . . . A 23 PRO HG3 . 30444 1 205 . 1 1 23 23 PRO HD2 H 1 3.604 0.04 . 2 . . . . A 23 PRO HD2 . 30444 1 206 . 1 1 23 23 PRO HD3 H 1 3.798 0.04 . 2 . . . . A 23 PRO HD3 . 30444 1 207 . 1 1 23 23 PRO C C 13 177.018 0.40 . 1 . . . . A 23 PRO C . 30444 1 208 . 1 1 23 23 PRO CA C 13 63.251 0.40 . 1 . . . . A 23 PRO CA . 30444 1 209 . 1 1 23 23 PRO CB C 13 32.269 0.40 . 1 . . . . A 23 PRO CB . 30444 1 210 . 1 1 23 23 PRO CG C 13 27.547 0.40 . 1 . . . . A 23 PRO CG . 30444 1 211 . 1 1 23 23 PRO CD C 13 50.663 0.40 . 1 . . . . A 23 PRO CD . 30444 1 212 . 1 1 24 24 MET H H 1 8.613 0.04 . 1 . . . . A 24 MET H . 30444 1 213 . 1 1 24 24 MET HA H 1 4.569 0.04 . 1 . . . . A 24 MET HA . 30444 1 214 . 1 1 24 24 MET HB2 H 1 1.713 0.04 . 2 . . . . A 24 MET HB2 . 30444 1 215 . 1 1 24 24 MET HB3 H 1 1.745 0.04 . 2 . . . . A 24 MET HB3 . 30444 1 216 . 1 1 24 24 MET HG2 H 1 2.279 0.04 . 2 . . . . A 24 MET HG2 . 30444 1 217 . 1 1 24 24 MET HG3 H 1 2.583 0.04 . 2 . . . . A 24 MET HG3 . 30444 1 218 . 1 1 24 24 MET HE1 H 1 1.806 0.04 . 1 . . . . A 24 MET HE1 . 30444 1 219 . 1 1 24 24 MET HE2 H 1 1.806 0.04 . 1 . . . . A 24 MET HE2 . 30444 1 220 . 1 1 24 24 MET HE3 H 1 1.806 0.04 . 1 . . . . A 24 MET HE3 . 30444 1 221 . 1 1 24 24 MET C C 13 176.794 0.40 . 1 . . . . A 24 MET C . 30444 1 222 . 1 1 24 24 MET CA C 13 56.118 0.40 . 1 . . . . A 24 MET CA . 30444 1 223 . 1 1 24 24 MET CB C 13 35.587 0.40 . 1 . . . . A 24 MET CB . 30444 1 224 . 1 1 24 24 MET CG C 13 34.368 0.40 . 1 . . . . A 24 MET CG . 30444 1 225 . 1 1 24 24 MET CE C 13 18.890 0.40 . 1 . . . . A 24 MET CE . 30444 1 226 . 1 1 24 24 MET N N 15 122.205 0.40 . 1 . . . . A 24 MET N . 30444 1 227 . 1 1 25 25 SER H H 1 9.178 0.04 . 1 . . . . A 25 SER H . 30444 1 228 . 1 1 25 25 SER HA H 1 4.725 0.04 . 1 . . . . A 25 SER HA . 30444 1 229 . 1 1 25 25 SER HB2 H 1 4.050 0.04 . 2 . . . . A 25 SER HB2 . 30444 1 230 . 1 1 25 25 SER HB3 H 1 4.474 0.04 . 2 . . . . A 25 SER HB3 . 30444 1 231 . 1 1 25 25 SER C C 13 174.305 0.40 . 1 . . . . A 25 SER C . 30444 1 232 . 1 1 25 25 SER CA C 13 57.129 0.40 . 1 . . . . A 25 SER CA . 30444 1 233 . 1 1 25 25 SER CB C 13 63.969 0.40 . 1 . . . . A 25 SER CB . 30444 1 234 . 1 1 25 25 SER N N 15 119.831 0.40 . 1 . . . . A 25 SER N . 30444 1 235 . 1 1 26 26 TYR HA H 1 4.107 0.04 . 1 . . . . A 26 TYR HA . 30444 1 236 . 1 1 26 26 TYR HB2 H 1 3.031 0.04 . 2 . . . . A 26 TYR HB2 . 30444 1 237 . 1 1 26 26 TYR HB3 H 1 3.257 0.04 . 2 . . . . A 26 TYR HB3 . 30444 1 238 . 1 1 26 26 TYR HD1 H 1 7.194 0.04 . 3 . . . . A 26 TYR HD1 . 30444 1 239 . 1 1 26 26 TYR HD2 H 1 7.194 0.04 . 3 . . . . A 26 TYR HD2 . 30444 1 240 . 1 1 26 26 TYR HE1 H 1 6.833 0.04 . 3 . . . . A 26 TYR HE1 . 30444 1 241 . 1 1 26 26 TYR HE2 H 1 6.833 0.04 . 3 . . . . A 26 TYR HE2 . 30444 1 242 . 1 1 26 26 TYR C C 13 178.006 0.40 . 1 . . . . A 26 TYR C . 30444 1 243 . 1 1 26 26 TYR CA C 13 62.514 0.40 . 1 . . . . A 26 TYR CA . 30444 1 244 . 1 1 26 26 TYR CB C 13 38.145 0.40 . 1 . . . . A 26 TYR CB . 30444 1 245 . 1 1 26 26 TYR CD1 C 13 133.608 0.40 . 3 . . . . A 26 TYR CD1 . 30444 1 246 . 1 1 26 26 TYR CE1 C 13 118.182 0.40 . 3 . . . . A 26 TYR CE1 . 30444 1 247 . 1 1 27 27 ASP H H 1 8.498 0.04 . 1 . . . . A 27 ASP H . 30444 1 248 . 1 1 27 27 ASP HA H 1 4.262 0.04 . 1 . . . . A 27 ASP HA . 30444 1 249 . 1 1 27 27 ASP HB2 H 1 2.557 0.04 . 2 . . . . A 27 ASP HB2 . 30444 1 250 . 1 1 27 27 ASP HB3 H 1 2.634 0.04 . 2 . . . . A 27 ASP HB3 . 30444 1 251 . 1 1 27 27 ASP C C 13 179.136 0.40 . 1 . . . . A 27 ASP C . 30444 1 252 . 1 1 27 27 ASP CA C 13 57.436 0.40 . 1 . . . . A 27 ASP CA . 30444 1 253 . 1 1 27 27 ASP CB C 13 40.852 0.40 . 1 . . . . A 27 ASP CB . 30444 1 254 . 1 1 27 27 ASP N N 15 118.183 0.40 . 1 . . . . A 27 ASP N . 30444 1 255 . 1 1 28 28 GLU H H 1 7.794 0.04 . 1 . . . . A 28 GLU H . 30444 1 256 . 1 1 28 28 GLU HA H 1 3.977 0.04 . 1 . . . . A 28 GLU HA . 30444 1 257 . 1 1 28 28 GLU HB2 H 1 1.962 0.04 . 2 . . . . A 28 GLU HB2 . 30444 1 258 . 1 1 28 28 GLU HB3 H 1 1.962 0.04 . 2 . . . . A 28 GLU HB3 . 30444 1 259 . 1 1 28 28 GLU HG2 H 1 2.238 0.04 . 2 . . . . A 28 GLU HG2 . 30444 1 260 . 1 1 28 28 GLU HG3 H 1 2.438 0.04 . 2 . . . . A 28 GLU HG3 . 30444 1 261 . 1 1 28 28 GLU C C 13 179.514 0.40 . 1 . . . . A 28 GLU C . 30444 1 262 . 1 1 28 28 GLU CA C 13 59.597 0.40 . 1 . . . . A 28 GLU CA . 30444 1 263 . 1 1 28 28 GLU CB C 13 30.330 0.40 . 1 . . . . A 28 GLU CB . 30444 1 264 . 1 1 28 28 GLU CG C 13 38.054 0.40 . 1 . . . . A 28 GLU CG . 30444 1 265 . 1 1 28 28 GLU N N 15 120.826 0.40 . 1 . . . . A 28 GLU N . 30444 1 266 . 1 1 29 29 LYS H H 1 8.167 0.04 . 1 . . . . A 29 LYS H . 30444 1 267 . 1 1 29 29 LYS HA H 1 3.752 0.04 . 1 . . . . A 29 LYS HA . 30444 1 268 . 1 1 29 29 LYS HB2 H 1 1.705 0.04 . 2 . . . . A 29 LYS HB2 . 30444 1 269 . 1 1 29 29 LYS HB3 H 1 1.820 0.04 . 2 . . . . A 29 LYS HB3 . 30444 1 270 . 1 1 29 29 LYS HD2 H 1 1.193 0.04 . 2 . . . . A 29 LYS HD2 . 30444 1 271 . 1 1 29 29 LYS HD3 H 1 1.489 0.04 . 2 . . . . A 29 LYS HD3 . 30444 1 272 . 1 1 29 29 LYS HE2 H 1 2.731 0.04 . 2 . . . . A 29 LYS HE2 . 30444 1 273 . 1 1 29 29 LYS HE3 H 1 2.807 0.04 . 2 . . . . A 29 LYS HE3 . 30444 1 274 . 1 1 29 29 LYS C C 13 178.400 0.40 . 1 . . . . A 29 LYS C . 30444 1 275 . 1 1 29 29 LYS CA C 13 60.391 0.40 . 1 . . . . A 29 LYS CA . 30444 1 276 . 1 1 29 29 LYS CB C 13 32.585 0.40 . 1 . . . . A 29 LYS CB . 30444 1 277 . 1 1 29 29 LYS CD C 13 27.459 0.40 . 1 . . . . A 29 LYS CD . 30444 1 278 . 1 1 29 29 LYS CE C 13 41.928 0.40 . 1 . . . . A 29 LYS CE . 30444 1 279 . 1 1 29 29 LYS N N 15 120.835 0.40 . 1 . . . . A 29 LYS N . 30444 1 280 . 1 1 30 30 ARG H H 1 8.088 0.04 . 1 . . . . A 30 ARG H . 30444 1 281 . 1 1 30 30 ARG HA H 1 3.816 0.04 . 1 . . . . A 30 ARG HA . 30444 1 282 . 1 1 30 30 ARG HB2 H 1 1.590 0.04 . 2 . . . . A 30 ARG HB2 . 30444 1 283 . 1 1 30 30 ARG HB3 H 1 1.802 0.04 . 2 . . . . A 30 ARG HB3 . 30444 1 284 . 1 1 30 30 ARG HG2 H 1 1.394 0.04 . 2 . . . . A 30 ARG HG2 . 30444 1 285 . 1 1 30 30 ARG HG3 H 1 1.525 0.04 . 2 . . . . A 30 ARG HG3 . 30444 1 286 . 1 1 30 30 ARG HD2 H 1 3.091 0.04 . 2 . . . . A 30 ARG HD2 . 30444 1 287 . 1 1 30 30 ARG HD3 H 1 3.185 0.04 . 2 . . . . A 30 ARG HD3 . 30444 1 288 . 1 1 30 30 ARG C C 13 179.014 0.40 . 1 . . . . A 30 ARG C . 30444 1 289 . 1 1 30 30 ARG CA C 13 59.047 0.40 . 1 . . . . A 30 ARG CA . 30444 1 290 . 1 1 30 30 ARG CB C 13 29.503 0.40 . 1 . . . . A 30 ARG CB . 30444 1 291 . 1 1 30 30 ARG CG C 13 26.851 0.40 . 1 . . . . A 30 ARG CG . 30444 1 292 . 1 1 30 30 ARG CD C 13 43.297 0.40 . 1 . . . . A 30 ARG CD . 30444 1 293 . 1 1 30 30 ARG N N 15 120.318 0.40 . 1 . . . . A 30 ARG N . 30444 1 294 . 1 1 31 31 GLN H H 1 7.963 0.04 . 1 . . . . A 31 GLN H . 30444 1 295 . 1 1 31 31 GLN HA H 1 3.791 0.04 . 1 . . . . A 31 GLN HA . 30444 1 296 . 1 1 31 31 GLN HB2 H 1 2.044 0.04 . 2 . . . . A 31 GLN HB2 . 30444 1 297 . 1 1 31 31 GLN HB3 H 1 2.132 0.04 . 2 . . . . A 31 GLN HB3 . 30444 1 298 . 1 1 31 31 GLN HG2 H 1 2.371 0.04 . 2 . . . . A 31 GLN HG2 . 30444 1 299 . 1 1 31 31 GLN HG3 H 1 2.371 0.04 . 2 . . . . A 31 GLN HG3 . 30444 1 300 . 1 1 31 31 GLN HE21 H 1 6.796 0.04 . 2 . . . . A 31 GLN HE21 . 30444 1 301 . 1 1 31 31 GLN HE22 H 1 7.846 0.04 . 2 . . . . A 31 GLN HE22 . 30444 1 302 . 1 1 31 31 GLN C C 13 177.117 0.40 . 1 . . . . A 31 GLN C . 30444 1 303 . 1 1 31 31 GLN CA C 13 58.268 0.40 . 1 . . . . A 31 GLN CA . 30444 1 304 . 1 1 31 31 GLN CB C 13 28.418 0.40 . 1 . . . . A 31 GLN CB . 30444 1 305 . 1 1 31 31 GLN CG C 13 33.468 0.40 . 1 . . . . A 31 GLN CG . 30444 1 306 . 1 1 31 31 GLN N N 15 119.155 0.40 . 1 . . . . A 31 GLN N . 30444 1 307 . 1 1 31 31 GLN NE2 N 15 116.733 0.40 . 1 . . . . A 31 GLN NE2 . 30444 1 308 . 1 1 32 32 LEU H H 1 7.932 0.04 . 1 . . . . A 32 LEU H . 30444 1 309 . 1 1 32 32 LEU HA H 1 4.331 0.04 . 1 . . . . A 32 LEU HA . 30444 1 310 . 1 1 32 32 LEU HB2 H 1 1.481 0.04 . 2 . . . . A 32 LEU HB2 . 30444 1 311 . 1 1 32 32 LEU HB3 H 1 1.838 0.04 . 2 . . . . A 32 LEU HB3 . 30444 1 312 . 1 1 32 32 LEU HG H 1 1.717 0.04 . 1 . . . . A 32 LEU HG . 30444 1 313 . 1 1 32 32 LEU HD11 H 1 0.816 0.04 . 2 . . . . A 32 LEU HD11 . 30444 1 314 . 1 1 32 32 LEU HD12 H 1 0.816 0.04 . 2 . . . . A 32 LEU HD12 . 30444 1 315 . 1 1 32 32 LEU HD13 H 1 0.816 0.04 . 2 . . . . A 32 LEU HD13 . 30444 1 316 . 1 1 32 32 LEU HD21 H 1 0.915 0.04 . 2 . . . . A 32 LEU HD21 . 30444 1 317 . 1 1 32 32 LEU HD22 H 1 0.915 0.04 . 2 . . . . A 32 LEU HD22 . 30444 1 318 . 1 1 32 32 LEU HD23 H 1 0.915 0.04 . 2 . . . . A 32 LEU HD23 . 30444 1 319 . 1 1 32 32 LEU C C 13 178.300 0.40 . 1 . . . . A 32 LEU C . 30444 1 320 . 1 1 32 32 LEU CA C 13 57.865 0.40 . 1 . . . . A 32 LEU CA . 30444 1 321 . 1 1 32 32 LEU CB C 13 41.300 0.40 . 1 . . . . A 32 LEU CB . 30444 1 322 . 1 1 32 32 LEU CG C 13 26.888 0.40 . 1 . . . . A 32 LEU CG . 30444 1 323 . 1 1 32 32 LEU CD1 C 13 25.529 0.40 . 2 . . . . A 32 LEU CD1 . 30444 1 324 . 1 1 32 32 LEU CD2 C 13 23.294 0.40 . 2 . . . . A 32 LEU CD2 . 30444 1 325 . 1 1 32 32 LEU N N 15 120.046 0.40 . 1 . . . . A 32 LEU N . 30444 1 326 . 1 1 33 33 SER H H 1 7.790 0.04 . 1 . . . . A 33 SER H . 30444 1 327 . 1 1 33 33 SER HA H 1 3.927 0.04 . 1 . . . . A 33 SER HA . 30444 1 328 . 1 1 33 33 SER HB2 H 1 3.689 0.04 . 2 . . . . A 33 SER HB2 . 30444 1 329 . 1 1 33 33 SER HB3 H 1 3.754 0.04 . 2 . . . . A 33 SER HB3 . 30444 1 330 . 1 1 33 33 SER C C 13 176.889 0.40 . 1 . . . . A 33 SER C . 30444 1 331 . 1 1 33 33 SER CA C 13 61.600 0.40 . 1 . . . . A 33 SER CA . 30444 1 332 . 1 1 33 33 SER CB C 13 62.957 0.40 . 1 . . . . A 33 SER CB . 30444 1 333 . 1 1 33 33 SER N N 15 112.532 0.40 . 1 . . . . A 33 SER N . 30444 1 334 . 1 1 34 34 LEU H H 1 7.685 0.04 . 1 . . . . A 34 LEU H . 30444 1 335 . 1 1 34 34 LEU HA H 1 4.032 0.04 . 1 . . . . A 34 LEU HA . 30444 1 336 . 1 1 34 34 LEU HB2 H 1 1.429 0.04 . 2 . . . . A 34 LEU HB2 . 30444 1 337 . 1 1 34 34 LEU HB3 H 1 1.913 0.04 . 2 . . . . A 34 LEU HB3 . 30444 1 338 . 1 1 34 34 LEU HG H 1 1.755 0.04 . 1 . . . . A 34 LEU HG . 30444 1 339 . 1 1 34 34 LEU HD11 H 1 0.836 0.04 . 2 . . . . A 34 LEU HD11 . 30444 1 340 . 1 1 34 34 LEU HD12 H 1 0.836 0.04 . 2 . . . . A 34 LEU HD12 . 30444 1 341 . 1 1 34 34 LEU HD13 H 1 0.836 0.04 . 2 . . . . A 34 LEU HD13 . 30444 1 342 . 1 1 34 34 LEU HD21 H 1 0.854 0.04 . 2 . . . . A 34 LEU HD21 . 30444 1 343 . 1 1 34 34 LEU HD22 H 1 0.854 0.04 . 2 . . . . A 34 LEU HD22 . 30444 1 344 . 1 1 34 34 LEU HD23 H 1 0.854 0.04 . 2 . . . . A 34 LEU HD23 . 30444 1 345 . 1 1 34 34 LEU C C 13 180.101 0.40 . 1 . . . . A 34 LEU C . 30444 1 346 . 1 1 34 34 LEU CA C 13 57.940 0.40 . 1 . . . . A 34 LEU CA . 30444 1 347 . 1 1 34 34 LEU CB C 13 41.805 0.40 . 1 . . . . A 34 LEU CB . 30444 1 348 . 1 1 34 34 LEU CG C 13 26.649 0.40 . 1 . . . . A 34 LEU CG . 30444 1 349 . 1 1 34 34 LEU CD1 C 13 25.343 0.40 . 2 . . . . A 34 LEU CD1 . 30444 1 350 . 1 1 34 34 LEU CD2 C 13 23.134 0.40 . 2 . . . . A 34 LEU CD2 . 30444 1 351 . 1 1 34 34 LEU N N 15 121.308 0.40 . 1 . . . . A 34 LEU N . 30444 1 352 . 1 1 35 35 ASP H H 1 8.591 0.04 . 1 . . . . A 35 ASP H . 30444 1 353 . 1 1 35 35 ASP HA H 1 4.334 0.04 . 1 . . . . A 35 ASP HA . 30444 1 354 . 1 1 35 35 ASP HB2 H 1 2.401 0.04 . 2 . . . . A 35 ASP HB2 . 30444 1 355 . 1 1 35 35 ASP HB3 H 1 2.779 0.04 . 2 . . . . A 35 ASP HB3 . 30444 1 356 . 1 1 35 35 ASP C C 13 179.722 0.40 . 1 . . . . A 35 ASP C . 30444 1 357 . 1 1 35 35 ASP CA C 13 57.840 0.40 . 1 . . . . A 35 ASP CA . 30444 1 358 . 1 1 35 35 ASP CB C 13 40.475 0.40 . 1 . . . . A 35 ASP CB . 30444 1 359 . 1 1 35 35 ASP N N 15 121.334 0.40 . 1 . . . . A 35 ASP N . 30444 1 360 . 1 1 36 36 ILE H H 1 8.661 0.04 . 1 . . . . A 36 ILE H . 30444 1 361 . 1 1 36 36 ILE HA H 1 3.656 0.04 . 1 . . . . A 36 ILE HA . 30444 1 362 . 1 1 36 36 ILE HB H 1 2.029 0.04 . 1 . . . . A 36 ILE HB . 30444 1 363 . 1 1 36 36 ILE HG12 H 1 1.069 0.04 . 2 . . . . A 36 ILE HG12 . 30444 1 364 . 1 1 36 36 ILE HG13 H 1 1.971 0.04 . 2 . . . . A 36 ILE HG13 . 30444 1 365 . 1 1 36 36 ILE HG21 H 1 0.972 0.04 . 1 . . . . A 36 ILE HG21 . 30444 1 366 . 1 1 36 36 ILE HG22 H 1 0.972 0.04 . 1 . . . . A 36 ILE HG22 . 30444 1 367 . 1 1 36 36 ILE HG23 H 1 0.972 0.04 . 1 . . . . A 36 ILE HG23 . 30444 1 368 . 1 1 36 36 ILE HD11 H 1 0.973 0.04 . 1 . . . . A 36 ILE HD11 . 30444 1 369 . 1 1 36 36 ILE HD12 H 1 0.973 0.04 . 1 . . . . A 36 ILE HD12 . 30444 1 370 . 1 1 36 36 ILE HD13 H 1 0.973 0.04 . 1 . . . . A 36 ILE HD13 . 30444 1 371 . 1 1 36 36 ILE C C 13 178.088 0.40 . 1 . . . . A 36 ILE C . 30444 1 372 . 1 1 36 36 ILE CA C 13 65.600 0.40 . 1 . . . . A 36 ILE CA . 30444 1 373 . 1 1 36 36 ILE CB C 13 37.733 0.40 . 1 . . . . A 36 ILE CB . 30444 1 374 . 1 1 36 36 ILE CG1 C 13 31.395 0.40 . 1 . . . . A 36 ILE CG1 . 30444 1 375 . 1 1 36 36 ILE CG2 C 13 17.482 0.40 . 1 . . . . A 36 ILE CG2 . 30444 1 376 . 1 1 36 36 ILE CD1 C 13 14.254 0.40 . 1 . . . . A 36 ILE CD1 . 30444 1 377 . 1 1 36 36 ILE N N 15 120.590 0.40 . 1 . . . . A 36 ILE N . 30444 1 378 . 1 1 37 37 ASN H H 1 7.435 0.04 . 1 . . . . A 37 ASN H . 30444 1 379 . 1 1 37 37 ASN HA H 1 4.626 0.04 . 1 . . . . A 37 ASN HA . 30444 1 380 . 1 1 37 37 ASN HB2 H 1 2.919 0.04 . 2 . . . . A 37 ASN HB2 . 30444 1 381 . 1 1 37 37 ASN HB3 H 1 2.919 0.04 . 2 . . . . A 37 ASN HB3 . 30444 1 382 . 1 1 37 37 ASN HD21 H 1 7.558 0.04 . 2 . . . . A 37 ASN HD21 . 30444 1 383 . 1 1 37 37 ASN HD22 H 1 6.922 0.04 . 2 . . . . A 37 ASN HD22 . 30444 1 384 . 1 1 37 37 ASN C C 13 176.039 0.40 . 1 . . . . A 37 ASN C . 30444 1 385 . 1 1 37 37 ASN CA C 13 55.115 0.40 . 1 . . . . A 37 ASN CA . 30444 1 386 . 1 1 37 37 ASN CB C 13 38.848 0.40 . 1 . . . . A 37 ASN CB . 30444 1 387 . 1 1 37 37 ASN N N 15 115.736 0.40 . 1 . . . . A 37 ASN N . 30444 1 388 . 1 1 37 37 ASN ND2 N 15 112.184 0.40 . 1 . . . . A 37 ASN ND2 . 30444 1 389 . 1 1 38 38 LYS H H 1 7.566 0.04 . 1 . . . . A 38 LYS H . 30444 1 390 . 1 1 38 38 LYS HA H 1 4.364 0.04 . 1 . . . . A 38 LYS HA . 30444 1 391 . 1 1 38 38 LYS HB2 H 1 1.994 0.04 . 2 . . . . A 38 LYS HB2 . 30444 1 392 . 1 1 38 38 LYS HB3 H 1 1.994 0.04 . 2 . . . . A 38 LYS HB3 . 30444 1 393 . 1 1 38 38 LYS HG2 H 1 1.463 0.04 . 2 . . . . A 38 LYS HG2 . 30444 1 394 . 1 1 38 38 LYS HG3 H 1 1.463 0.04 . 2 . . . . A 38 LYS HG3 . 30444 1 395 . 1 1 38 38 LYS HD2 H 1 1.646 0.04 . 2 . . . . A 38 LYS HD2 . 30444 1 396 . 1 1 38 38 LYS HD3 H 1 1.740 0.04 . 2 . . . . A 38 LYS HD3 . 30444 1 397 . 1 1 38 38 LYS HE2 H 1 2.905 0.04 . 2 . . . . A 38 LYS HE2 . 30444 1 398 . 1 1 38 38 LYS HE3 H 1 2.992 0.04 . 2 . . . . A 38 LYS HE3 . 30444 1 399 . 1 1 38 38 LYS C C 13 177.328 0.40 . 1 . . . . A 38 LYS C . 30444 1 400 . 1 1 38 38 LYS CA C 13 56.616 0.40 . 1 . . . . A 38 LYS CA . 30444 1 401 . 1 1 38 38 LYS CB C 13 33.632 0.40 . 1 . . . . A 38 LYS CB . 30444 1 402 . 1 1 38 38 LYS CG C 13 25.368 0.40 . 1 . . . . A 38 LYS CG . 30444 1 403 . 1 1 38 38 LYS CD C 13 29.662 0.40 . 1 . . . . A 38 LYS CD . 30444 1 404 . 1 1 38 38 LYS CE C 13 42.480 0.40 . 1 . . . . A 38 LYS CE . 30444 1 405 . 1 1 38 38 LYS N N 15 117.828 0.40 . 1 . . . . A 38 LYS N . 30444 1 406 . 1 1 39 39 LEU H H 1 7.525 0.04 . 1 . . . . A 39 LEU H . 30444 1 407 . 1 1 39 39 LEU HA H 1 4.344 0.04 . 1 . . . . A 39 LEU HA . 30444 1 408 . 1 1 39 39 LEU HB2 H 1 1.346 0.04 . 2 . . . . A 39 LEU HB2 . 30444 1 409 . 1 1 39 39 LEU HB3 H 1 2.016 0.04 . 2 . . . . A 39 LEU HB3 . 30444 1 410 . 1 1 39 39 LEU HG H 1 2.181 0.04 . 1 . . . . A 39 LEU HG . 30444 1 411 . 1 1 39 39 LEU HD11 H 1 1.006 0.04 . 2 . . . . A 39 LEU HD11 . 30444 1 412 . 1 1 39 39 LEU HD12 H 1 1.006 0.04 . 2 . . . . A 39 LEU HD12 . 30444 1 413 . 1 1 39 39 LEU HD13 H 1 1.006 0.04 . 2 . . . . A 39 LEU HD13 . 30444 1 414 . 1 1 39 39 LEU HD21 H 1 0.845 0.04 . 2 . . . . A 39 LEU HD21 . 30444 1 415 . 1 1 39 39 LEU HD22 H 1 0.845 0.04 . 2 . . . . A 39 LEU HD22 . 30444 1 416 . 1 1 39 39 LEU HD23 H 1 0.845 0.04 . 2 . . . . A 39 LEU HD23 . 30444 1 417 . 1 1 39 39 LEU CA C 13 53.543 0.40 . 1 . . . . A 39 LEU CA . 30444 1 418 . 1 1 39 39 LEU CB C 13 41.528 0.40 . 1 . . . . A 39 LEU CB . 30444 1 419 . 1 1 39 39 LEU CG C 13 26.259 0.40 . 1 . . . . A 39 LEU CG . 30444 1 420 . 1 1 39 39 LEU CD1 C 13 26.694 0.40 . 2 . . . . A 39 LEU CD1 . 30444 1 421 . 1 1 39 39 LEU CD2 C 13 23.316 0.40 . 2 . . . . A 39 LEU CD2 . 30444 1 422 . 1 1 39 39 LEU N N 15 120.836 0.40 . 1 . . . . A 39 LEU N . 30444 1 423 . 1 1 40 40 PRO HA H 1 4.640 0.04 . 1 . . . . A 40 PRO HA . 30444 1 424 . 1 1 40 40 PRO HB2 H 1 2.074 0.04 . 2 . . . . A 40 PRO HB2 . 30444 1 425 . 1 1 40 40 PRO HB3 H 1 2.509 0.04 . 2 . . . . A 40 PRO HB3 . 30444 1 426 . 1 1 40 40 PRO HG2 H 1 2.211 0.04 . 2 . . . . A 40 PRO HG2 . 30444 1 427 . 1 1 40 40 PRO HG3 H 1 2.035 0.04 . 2 . . . . A 40 PRO HG3 . 30444 1 428 . 1 1 40 40 PRO HD2 H 1 3.416 0.04 . 2 . . . . A 40 PRO HD2 . 30444 1 429 . 1 1 40 40 PRO HD3 H 1 3.951 0.04 . 2 . . . . A 40 PRO HD3 . 30444 1 430 . 1 1 40 40 PRO C C 13 178.451 0.40 . 1 . . . . A 40 PRO C . 30444 1 431 . 1 1 40 40 PRO CA C 13 62.383 0.40 . 1 . . . . A 40 PRO CA . 30444 1 432 . 1 1 40 40 PRO CB C 13 32.573 0.40 . 1 . . . . A 40 PRO CB . 30444 1 433 . 1 1 40 40 PRO CG C 13 27.901 0.40 . 1 . . . . A 40 PRO CG . 30444 1 434 . 1 1 40 40 PRO CD C 13 50.432 0.40 . 1 . . . . A 40 PRO CD . 30444 1 435 . 1 1 41 41 GLY H H 1 8.903 0.04 . 1 . . . . A 41 GLY H . 30444 1 436 . 1 1 41 41 GLY HA2 H 1 3.776 0.04 . 2 . . . . A 41 GLY HA2 . 30444 1 437 . 1 1 41 41 GLY HA3 H 1 4.092 0.04 . 2 . . . . A 41 GLY HA3 . 30444 1 438 . 1 1 41 41 GLY C C 13 173.975 0.40 . 1 . . . . A 41 GLY C . 30444 1 439 . 1 1 41 41 GLY CA C 13 48.307 0.40 . 1 . . . . A 41 GLY CA . 30444 1 440 . 1 1 41 41 GLY N N 15 110.367 0.40 . 1 . . . . A 41 GLY N . 30444 1 441 . 1 1 42 42 GLU H H 1 9.413 0.04 . 1 . . . . A 42 GLU H . 30444 1 442 . 1 1 42 42 GLU HA H 1 4.287 0.04 . 1 . . . . A 42 GLU HA . 30444 1 443 . 1 1 42 42 GLU HB2 H 1 2.121 0.04 . 2 . . . . A 42 GLU HB2 . 30444 1 444 . 1 1 42 42 GLU HB3 H 1 2.121 0.04 . 2 . . . . A 42 GLU HB3 . 30444 1 445 . 1 1 42 42 GLU HG2 H 1 2.288 0.04 . 2 . . . . A 42 GLU HG2 . 30444 1 446 . 1 1 42 42 GLU HG3 H 1 2.355 0.04 . 2 . . . . A 42 GLU HG3 . 30444 1 447 . 1 1 42 42 GLU C C 13 176.900 0.40 . 1 . . . . A 42 GLU C . 30444 1 448 . 1 1 42 42 GLU CA C 13 59.174 0.40 . 1 . . . . A 42 GLU CA . 30444 1 449 . 1 1 42 42 GLU CB C 13 28.821 0.40 . 1 . . . . A 42 GLU CB . 30444 1 450 . 1 1 42 42 GLU CG C 13 36.178 0.40 . 1 . . . . A 42 GLU CG . 30444 1 451 . 1 1 42 42 GLU N N 15 120.170 0.40 . 1 . . . . A 42 GLU N . 30444 1 452 . 1 1 43 43 LYS H H 1 7.765 0.04 . 1 . . . . A 43 LYS H . 30444 1 453 . 1 1 43 43 LYS HA H 1 4.561 0.04 . 1 . . . . A 43 LYS HA . 30444 1 454 . 1 1 43 43 LYS HB2 H 1 1.723 0.04 . 2 . . . . A 43 LYS HB2 . 30444 1 455 . 1 1 43 43 LYS HB3 H 1 1.801 0.04 . 2 . . . . A 43 LYS HB3 . 30444 1 456 . 1 1 43 43 LYS C C 13 178.800 0.40 . 1 . . . . A 43 LYS C . 30444 1 457 . 1 1 43 43 LYS CA C 13 56.200 0.40 . 1 . . . . A 43 LYS CA . 30444 1 458 . 1 1 43 43 LYS CB C 13 33.128 0.40 . 1 . . . . A 43 LYS CB . 30444 1 459 . 1 1 43 43 LYS N N 15 116.954 0.40 . 1 . . . . A 43 LYS N . 30444 1 460 . 1 1 44 44 LEU H H 1 7.990 0.04 . 1 . . . . A 44 LEU H . 30444 1 461 . 1 1 44 44 LEU HA H 1 4.158 0.04 . 1 . . . . A 44 LEU HA . 30444 1 462 . 1 1 44 44 LEU HB2 H 1 1.757 0.04 . 2 . . . . A 44 LEU HB2 . 30444 1 463 . 1 1 44 44 LEU HB3 H 1 1.757 0.04 . 2 . . . . A 44 LEU HB3 . 30444 1 464 . 1 1 44 44 LEU HG H 1 1.713 0.04 . 1 . . . . A 44 LEU HG . 30444 1 465 . 1 1 44 44 LEU HD11 H 1 0.952 0.04 . 2 . . . . A 44 LEU HD11 . 30444 1 466 . 1 1 44 44 LEU HD12 H 1 0.952 0.04 . 2 . . . . A 44 LEU HD12 . 30444 1 467 . 1 1 44 44 LEU HD13 H 1 0.952 0.04 . 2 . . . . A 44 LEU HD13 . 30444 1 468 . 1 1 44 44 LEU HD21 H 1 0.966 0.04 . 2 . . . . A 44 LEU HD21 . 30444 1 469 . 1 1 44 44 LEU HD22 H 1 0.966 0.04 . 2 . . . . A 44 LEU HD22 . 30444 1 470 . 1 1 44 44 LEU HD23 H 1 0.966 0.04 . 2 . . . . A 44 LEU HD23 . 30444 1 471 . 1 1 44 44 LEU C C 13 179.150 0.40 . 1 . . . . A 44 LEU C . 30444 1 472 . 1 1 44 44 LEU CA C 13 57.898 0.40 . 1 . . . . A 44 LEU CA . 30444 1 473 . 1 1 44 44 LEU CB C 13 41.720 0.40 . 1 . . . . A 44 LEU CB . 30444 1 474 . 1 1 44 44 LEU CG C 13 27.054 0.40 . 1 . . . . A 44 LEU CG . 30444 1 475 . 1 1 44 44 LEU CD1 C 13 24.571 0.40 . 2 . . . . A 44 LEU CD1 . 30444 1 476 . 1 1 44 44 LEU CD2 C 13 23.967 0.40 . 2 . . . . A 44 LEU CD2 . 30444 1 477 . 1 1 44 44 LEU N N 15 122.206 0.40 . 1 . . . . A 44 LEU N . 30444 1 478 . 1 1 45 45 GLY H H 1 8.236 0.04 . 1 . . . . A 45 GLY H . 30444 1 479 . 1 1 45 45 GLY HA2 H 1 3.768 0.04 . 2 . . . . A 45 GLY HA2 . 30444 1 480 . 1 1 45 45 GLY HA3 H 1 3.922 0.04 . 2 . . . . A 45 GLY HA3 . 30444 1 481 . 1 1 45 45 GLY C C 13 176.289 0.40 . 1 . . . . A 45 GLY C . 30444 1 482 . 1 1 45 45 GLY CA C 13 47.295 0.40 . 1 . . . . A 45 GLY CA . 30444 1 483 . 1 1 45 45 GLY N N 15 106.280 0.40 . 1 . . . . A 45 GLY N . 30444 1 484 . 1 1 46 46 ARG H H 1 7.429 0.04 . 1 . . . . A 46 ARG H . 30444 1 485 . 1 1 46 46 ARG HA H 1 4.081 0.04 . 1 . . . . A 46 ARG HA . 30444 1 486 . 1 1 46 46 ARG HB2 H 1 1.695 0.04 . 2 . . . . A 46 ARG HB2 . 30444 1 487 . 1 1 46 46 ARG HB3 H 1 1.847 0.04 . 2 . . . . A 46 ARG HB3 . 30444 1 488 . 1 1 46 46 ARG HG2 H 1 1.373 0.04 . 2 . . . . A 46 ARG HG2 . 30444 1 489 . 1 1 46 46 ARG HG3 H 1 1.436 0.04 . 2 . . . . A 46 ARG HG3 . 30444 1 490 . 1 1 46 46 ARG HD2 H 1 3.048 0.04 . 2 . . . . A 46 ARG HD2 . 30444 1 491 . 1 1 46 46 ARG HD3 H 1 3.125 0.04 . 2 . . . . A 46 ARG HD3 . 30444 1 492 . 1 1 46 46 ARG C C 13 177.944 0.40 . 1 . . . . A 46 ARG C . 30444 1 493 . 1 1 46 46 ARG CA C 13 57.432 0.40 . 1 . . . . A 46 ARG CA . 30444 1 494 . 1 1 46 46 ARG CB C 13 29.158 0.40 . 1 . . . . A 46 ARG CB . 30444 1 495 . 1 1 46 46 ARG CG C 13 26.456 0.40 . 1 . . . . A 46 ARG CG . 30444 1 496 . 1 1 46 46 ARG CD C 13 42.698 0.40 . 1 . . . . A 46 ARG CD . 30444 1 497 . 1 1 46 46 ARG N N 15 120.042 0.40 . 1 . . . . A 46 ARG N . 30444 1 498 . 1 1 47 47 VAL H H 1 7.494 0.04 . 1 . . . . A 47 VAL H . 30444 1 499 . 1 1 47 47 VAL HA H 1 3.339 0.04 . 1 . . . . A 47 VAL HA . 30444 1 500 . 1 1 47 47 VAL HB H 1 2.631 0.04 . 1 . . . . A 47 VAL HB . 30444 1 501 . 1 1 47 47 VAL HG11 H 1 0.953 0.04 . 2 . . . . A 47 VAL HG11 . 30444 1 502 . 1 1 47 47 VAL HG12 H 1 0.953 0.04 . 2 . . . . A 47 VAL HG12 . 30444 1 503 . 1 1 47 47 VAL HG13 H 1 0.953 0.04 . 2 . . . . A 47 VAL HG13 . 30444 1 504 . 1 1 47 47 VAL HG21 H 1 1.171 0.04 . 2 . . . . A 47 VAL HG21 . 30444 1 505 . 1 1 47 47 VAL HG22 H 1 1.171 0.04 . 2 . . . . A 47 VAL HG22 . 30444 1 506 . 1 1 47 47 VAL HG23 H 1 1.171 0.04 . 2 . . . . A 47 VAL HG23 . 30444 1 507 . 1 1 47 47 VAL C C 13 177.208 0.40 . 1 . . . . A 47 VAL C . 30444 1 508 . 1 1 47 47 VAL CA C 13 67.022 0.40 . 1 . . . . A 47 VAL CA . 30444 1 509 . 1 1 47 47 VAL CB C 13 31.132 0.40 . 1 . . . . A 47 VAL CB . 30444 1 510 . 1 1 47 47 VAL CG1 C 13 21.274 0.40 . 2 . . . . A 47 VAL CG1 . 30444 1 511 . 1 1 47 47 VAL CG2 C 13 23.363 0.40 . 2 . . . . A 47 VAL CG2 . 30444 1 512 . 1 1 47 47 VAL N N 15 119.166 0.40 . 1 . . . . A 47 VAL N . 30444 1 513 . 1 1 48 48 VAL H H 1 7.530 0.04 . 1 . . . . A 48 VAL H . 30444 1 514 . 1 1 48 48 VAL HA H 1 3.475 0.04 . 1 . . . . A 48 VAL HA . 30444 1 515 . 1 1 48 48 VAL HB H 1 2.088 0.04 . 1 . . . . A 48 VAL HB . 30444 1 516 . 1 1 48 48 VAL HG11 H 1 0.881 0.04 . 2 . . . . A 48 VAL HG11 . 30444 1 517 . 1 1 48 48 VAL HG12 H 1 0.881 0.04 . 2 . . . . A 48 VAL HG12 . 30444 1 518 . 1 1 48 48 VAL HG13 H 1 0.881 0.04 . 2 . . . . A 48 VAL HG13 . 30444 1 519 . 1 1 48 48 VAL HG21 H 1 0.959 0.04 . 2 . . . . A 48 VAL HG21 . 30444 1 520 . 1 1 48 48 VAL HG22 H 1 0.959 0.04 . 2 . . . . A 48 VAL HG22 . 30444 1 521 . 1 1 48 48 VAL HG23 H 1 0.959 0.04 . 2 . . . . A 48 VAL HG23 . 30444 1 522 . 1 1 48 48 VAL C C 13 177.134 0.40 . 1 . . . . A 48 VAL C . 30444 1 523 . 1 1 48 48 VAL CA C 13 66.770 0.40 . 1 . . . . A 48 VAL CA . 30444 1 524 . 1 1 48 48 VAL CB C 13 31.420 0.40 . 1 . . . . A 48 VAL CB . 30444 1 525 . 1 1 48 48 VAL CG1 C 13 21.629 0.40 . 2 . . . . A 48 VAL CG1 . 30444 1 526 . 1 1 48 48 VAL CG2 C 13 22.599 0.40 . 2 . . . . A 48 VAL CG2 . 30444 1 527 . 1 1 48 48 VAL N N 15 116.624 0.40 . 1 . . . . A 48 VAL N . 30444 1 528 . 1 1 49 49 HIS H H 1 7.589 0.04 . 1 . . . . A 49 HIS H . 30444 1 529 . 1 1 49 49 HIS HA H 1 4.344 0.04 . 1 . . . . A 49 HIS HA . 30444 1 530 . 1 1 49 49 HIS HB2 H 1 3.159 0.04 . 2 . . . . A 49 HIS HB2 . 30444 1 531 . 1 1 49 49 HIS HB3 H 1 3.218 0.04 . 2 . . . . A 49 HIS HB3 . 30444 1 532 . 1 1 49 49 HIS HD2 H 1 6.894 0.04 . 1 . . . . A 49 HIS HD2 . 30444 1 533 . 1 1 49 49 HIS HE1 H 1 7.766 0.04 . 1 . . . . A 49 HIS HE1 . 30444 1 534 . 1 1 49 49 HIS C C 13 178.377 0.40 . 1 . . . . A 49 HIS C . 30444 1 535 . 1 1 49 49 HIS CA C 13 59.669 0.40 . 1 . . . . A 49 HIS CA . 30444 1 536 . 1 1 49 49 HIS CB C 13 30.367 0.40 . 1 . . . . A 49 HIS CB . 30444 1 537 . 1 1 49 49 HIS CD2 C 13 119.658 0.40 . 1 . . . . A 49 HIS CD2 . 30444 1 538 . 1 1 49 49 HIS CE1 C 13 138.282 0.40 . 1 . . . . A 49 HIS CE1 . 30444 1 539 . 1 1 49 49 HIS N N 15 119.156 0.40 . 1 . . . . A 49 HIS N . 30444 1 540 . 1 1 50 50 ILE H H 1 8.217 0.04 . 1 . . . . A 50 ILE H . 30444 1 541 . 1 1 50 50 ILE HA H 1 3.546 0.04 . 1 . . . . A 50 ILE HA . 30444 1 542 . 1 1 50 50 ILE HB H 1 1.888 0.04 . 1 . . . . A 50 ILE HB . 30444 1 543 . 1 1 50 50 ILE HG12 H 1 0.938 0.04 . 2 . . . . A 50 ILE HG12 . 30444 1 544 . 1 1 50 50 ILE HG13 H 1 1.700 0.04 . 2 . . . . A 50 ILE HG13 . 30444 1 545 . 1 1 50 50 ILE HG21 H 1 0.747 0.04 . 1 . . . . A 50 ILE HG21 . 30444 1 546 . 1 1 50 50 ILE HG22 H 1 0.747 0.04 . 1 . . . . A 50 ILE HG22 . 30444 1 547 . 1 1 50 50 ILE HG23 H 1 0.747 0.04 . 1 . . . . A 50 ILE HG23 . 30444 1 548 . 1 1 50 50 ILE HD11 H 1 0.457 0.04 . 1 . . . . A 50 ILE HD11 . 30444 1 549 . 1 1 50 50 ILE HD12 H 1 0.457 0.04 . 1 . . . . A 50 ILE HD12 . 30444 1 550 . 1 1 50 50 ILE HD13 H 1 0.457 0.04 . 1 . . . . A 50 ILE HD13 . 30444 1 551 . 1 1 50 50 ILE C C 13 177.741 0.40 . 1 . . . . A 50 ILE C . 30444 1 552 . 1 1 50 50 ILE CA C 13 65.607 0.40 . 1 . . . . A 50 ILE CA . 30444 1 553 . 1 1 50 50 ILE CB C 13 38.195 0.40 . 1 . . . . A 50 ILE CB . 30444 1 554 . 1 1 50 50 ILE CG1 C 13 29.320 0.40 . 1 . . . . A 50 ILE CG1 . 30444 1 555 . 1 1 50 50 ILE CG2 C 13 16.962 0.40 . 1 . . . . A 50 ILE CG2 . 30444 1 556 . 1 1 50 50 ILE CD1 C 13 14.078 0.40 . 1 . . . . A 50 ILE CD1 . 30444 1 557 . 1 1 50 50 ILE N N 15 120.877 0.40 . 1 . . . . A 50 ILE N . 30444 1 558 . 1 1 51 51 ILE H H 1 7.641 0.04 . 1 . . . . A 51 ILE H . 30444 1 559 . 1 1 51 51 ILE HA H 1 3.409 0.04 . 1 . . . . A 51 ILE HA . 30444 1 560 . 1 1 51 51 ILE HB H 1 1.896 0.04 . 1 . . . . A 51 ILE HB . 30444 1 561 . 1 1 51 51 ILE HG12 H 1 0.811 0.04 . 2 . . . . A 51 ILE HG12 . 30444 1 562 . 1 1 51 51 ILE HG13 H 1 1.890 0.04 . 2 . . . . A 51 ILE HG13 . 30444 1 563 . 1 1 51 51 ILE HG21 H 1 0.792 0.04 . 1 . . . . A 51 ILE HG21 . 30444 1 564 . 1 1 51 51 ILE HG22 H 1 0.792 0.04 . 1 . . . . A 51 ILE HG22 . 30444 1 565 . 1 1 51 51 ILE HG23 H 1 0.792 0.04 . 1 . . . . A 51 ILE HG23 . 30444 1 566 . 1 1 51 51 ILE HD11 H 1 0.750 0.04 . 1 . . . . A 51 ILE HD11 . 30444 1 567 . 1 1 51 51 ILE HD12 H 1 0.750 0.04 . 1 . . . . A 51 ILE HD12 . 30444 1 568 . 1 1 51 51 ILE HD13 H 1 0.750 0.04 . 1 . . . . A 51 ILE HD13 . 30444 1 569 . 1 1 51 51 ILE C C 13 177.448 0.40 . 1 . . . . A 51 ILE C . 30444 1 570 . 1 1 51 51 ILE CA C 13 66.498 0.40 . 1 . . . . A 51 ILE CA . 30444 1 571 . 1 1 51 51 ILE CB C 13 38.221 0.40 . 1 . . . . A 51 ILE CB . 30444 1 572 . 1 1 51 51 ILE CG1 C 13 29.755 0.40 . 1 . . . . A 51 ILE CG1 . 30444 1 573 . 1 1 51 51 ILE CG2 C 13 18.182 0.40 . 1 . . . . A 51 ILE CG2 . 30444 1 574 . 1 1 51 51 ILE CD1 C 13 14.543 0.40 . 1 . . . . A 51 ILE CD1 . 30444 1 575 . 1 1 51 51 ILE N N 15 117.326 0.40 . 1 . . . . A 51 ILE N . 30444 1 576 . 1 1 52 52 GLN H H 1 8.529 0.04 . 1 . . . . A 52 GLN H . 30444 1 577 . 1 1 52 52 GLN HA H 1 3.724 0.04 . 1 . . . . A 52 GLN HA . 30444 1 578 . 1 1 52 52 GLN HB2 H 1 1.941 0.04 . 2 . . . . A 52 GLN HB2 . 30444 1 579 . 1 1 52 52 GLN HB3 H 1 2.115 0.04 . 2 . . . . A 52 GLN HB3 . 30444 1 580 . 1 1 52 52 GLN HG2 H 1 2.059 0.04 . 2 . . . . A 52 GLN HG2 . 30444 1 581 . 1 1 52 52 GLN HG3 H 1 2.519 0.04 . 2 . . . . A 52 GLN HG3 . 30444 1 582 . 1 1 52 52 GLN HE21 H 1 6.459 0.04 . 2 . . . . A 52 GLN HE21 . 30444 1 583 . 1 1 52 52 GLN HE22 H 1 7.234 0.04 . 2 . . . . A 52 GLN HE22 . 30444 1 584 . 1 1 52 52 GLN C C 13 177.039 0.40 . 1 . . . . A 52 GLN C . 30444 1 585 . 1 1 52 52 GLN CA C 13 59.872 0.40 . 1 . . . . A 52 GLN CA . 30444 1 586 . 1 1 52 52 GLN CB C 13 29.157 0.40 . 1 . . . . A 52 GLN CB . 30444 1 587 . 1 1 52 52 GLN CG C 13 35.523 0.40 . 1 . . . . A 52 GLN CG . 30444 1 588 . 1 1 52 52 GLN N N 15 116.120 0.40 . 1 . . . . A 52 GLN N . 30444 1 589 . 1 1 52 52 GLN NE2 N 15 111.521 0.40 . 1 . . . . A 52 GLN NE2 . 30444 1 590 . 1 1 53 53 ALA H H 1 7.861 0.04 . 1 . . . . A 53 ALA H . 30444 1 591 . 1 1 53 53 ALA HA H 1 4.055 0.04 . 1 . . . . A 53 ALA HA . 30444 1 592 . 1 1 53 53 ALA HB1 H 1 1.371 0.04 . 1 . . . . A 53 ALA HB1 . 30444 1 593 . 1 1 53 53 ALA HB2 H 1 1.371 0.04 . 1 . . . . A 53 ALA HB2 . 30444 1 594 . 1 1 53 53 ALA HB3 H 1 1.371 0.04 . 1 . . . . A 53 ALA HB3 . 30444 1 595 . 1 1 53 53 ALA C C 13 180.052 0.40 . 1 . . . . A 53 ALA C . 30444 1 596 . 1 1 53 53 ALA CA C 13 54.252 0.40 . 1 . . . . A 53 ALA CA . 30444 1 597 . 1 1 53 53 ALA CB C 13 18.648 0.40 . 1 . . . . A 53 ALA CB . 30444 1 598 . 1 1 53 53 ALA N N 15 118.309 0.40 . 1 . . . . A 53 ALA N . 30444 1 599 . 1 1 54 54 ARG H H 1 7.549 0.04 . 1 . . . . A 54 ARG H . 30444 1 600 . 1 1 54 54 ARG HA H 1 4.327 0.04 . 1 . . . . A 54 ARG HA . 30444 1 601 . 1 1 54 54 ARG HB2 H 1 1.817 0.04 . 2 . . . . A 54 ARG HB2 . 30444 1 602 . 1 1 54 54 ARG HB3 H 1 2.067 0.04 . 2 . . . . A 54 ARG HB3 . 30444 1 603 . 1 1 54 54 ARG C C 13 176.501 0.40 . 1 . . . . A 54 ARG C . 30444 1 604 . 1 1 54 54 ARG CA C 13 55.755 0.40 . 1 . . . . A 54 ARG CA . 30444 1 605 . 1 1 54 54 ARG CB C 13 32.969 0.40 . 1 . . . . A 54 ARG CB . 30444 1 606 . 1 1 54 54 ARG N N 15 114.445 0.40 . 1 . . . . A 54 ARG N . 30444 1 607 . 1 1 55 55 GLU H H 1 7.795 0.04 . 1 . . . . A 55 GLU H . 30444 1 608 . 1 1 55 55 GLU HA H 1 4.883 0.04 . 1 . . . . A 55 GLU HA . 30444 1 609 . 1 1 55 55 GLU HB2 H 1 1.849 0.04 . 2 . . . . A 55 GLU HB2 . 30444 1 610 . 1 1 55 55 GLU HB3 H 1 2.073 0.04 . 2 . . . . A 55 GLU HB3 . 30444 1 611 . 1 1 55 55 GLU HG2 H 1 2.255 0.04 . 2 . . . . A 55 GLU HG2 . 30444 1 612 . 1 1 55 55 GLU HG3 H 1 2.255 0.04 . 2 . . . . A 55 GLU HG3 . 30444 1 613 . 1 1 55 55 GLU CA C 13 52.655 0.40 . 1 . . . . A 55 GLU CA . 30444 1 614 . 1 1 55 55 GLU CB C 13 28.772 0.40 . 1 . . . . A 55 GLU CB . 30444 1 615 . 1 1 55 55 GLU CG C 13 35.512 0.40 . 1 . . . . A 55 GLU CG . 30444 1 616 . 1 1 55 55 GLU N N 15 118.681 0.40 . 1 . . . . A 55 GLU N . 30444 1 617 . 1 1 56 56 PRO HA H 1 4.172 0.04 . 1 . . . . A 56 PRO HA . 30444 1 618 . 1 1 56 56 PRO HB2 H 1 1.969 0.04 . 2 . . . . A 56 PRO HB2 . 30444 1 619 . 1 1 56 56 PRO HB3 H 1 2.360 0.04 . 2 . . . . A 56 PRO HB3 . 30444 1 620 . 1 1 56 56 PRO HG2 H 1 1.972 0.04 . 2 . . . . A 56 PRO HG2 . 30444 1 621 . 1 1 56 56 PRO HG3 H 1 2.116 0.04 . 2 . . . . A 56 PRO HG3 . 30444 1 622 . 1 1 56 56 PRO HD2 H 1 3.818 0.04 . 2 . . . . A 56 PRO HD2 . 30444 1 623 . 1 1 56 56 PRO HD3 H 1 3.818 0.04 . 2 . . . . A 56 PRO HD3 . 30444 1 624 . 1 1 56 56 PRO C C 13 178.714 0.40 . 1 . . . . A 56 PRO C . 30444 1 625 . 1 1 56 56 PRO CA C 13 65.023 0.40 . 1 . . . . A 56 PRO CA . 30444 1 626 . 1 1 56 56 PRO CB C 13 32.108 0.40 . 1 . . . . A 56 PRO CB . 30444 1 627 . 1 1 56 56 PRO CG C 13 27.491 0.40 . 1 . . . . A 56 PRO CG . 30444 1 628 . 1 1 56 56 PRO CD C 13 50.438 0.40 . 1 . . . . A 56 PRO CD . 30444 1 629 . 1 1 57 57 SER H H 1 8.376 0.04 . 1 . . . . A 57 SER H . 30444 1 630 . 1 1 57 57 SER HA H 1 4.307 0.04 . 1 . . . . A 57 SER HA . 30444 1 631 . 1 1 57 57 SER HB2 H 1 3.969 0.04 . 2 . . . . A 57 SER HB2 . 30444 1 632 . 1 1 57 57 SER HB3 H 1 3.969 0.04 . 2 . . . . A 57 SER HB3 . 30444 1 633 . 1 1 57 57 SER C C 13 175.419 0.40 . 1 . . . . A 57 SER C . 30444 1 634 . 1 1 57 57 SER CA C 13 60.510 0.40 . 1 . . . . A 57 SER CA . 30444 1 635 . 1 1 57 57 SER CB C 13 62.980 0.40 . 1 . . . . A 57 SER CB . 30444 1 636 . 1 1 57 57 SER N N 15 111.708 0.40 . 1 . . . . A 57 SER N . 30444 1 637 . 1 1 58 58 LEU H H 1 7.894 0.04 . 1 . . . . A 58 LEU H . 30444 1 638 . 1 1 58 58 LEU HA H 1 4.641 0.04 . 1 . . . . A 58 LEU HA . 30444 1 639 . 1 1 58 58 LEU HB2 H 1 1.618 0.04 . 2 . . . . A 58 LEU HB2 . 30444 1 640 . 1 1 58 58 LEU HB3 H 1 1.618 0.04 . 2 . . . . A 58 LEU HB3 . 30444 1 641 . 1 1 58 58 LEU HG H 1 1.654 0.04 . 1 . . . . A 58 LEU HG . 30444 1 642 . 1 1 58 58 LEU HD11 H 1 0.770 0.04 . 2 . . . . A 58 LEU HD11 . 30444 1 643 . 1 1 58 58 LEU HD12 H 1 0.770 0.04 . 2 . . . . A 58 LEU HD12 . 30444 1 644 . 1 1 58 58 LEU HD13 H 1 0.770 0.04 . 2 . . . . A 58 LEU HD13 . 30444 1 645 . 1 1 58 58 LEU HD21 H 1 0.833 0.04 . 2 . . . . A 58 LEU HD21 . 30444 1 646 . 1 1 58 58 LEU HD22 H 1 0.833 0.04 . 2 . . . . A 58 LEU HD22 . 30444 1 647 . 1 1 58 58 LEU HD23 H 1 0.833 0.04 . 2 . . . . A 58 LEU HD23 . 30444 1 648 . 1 1 58 58 LEU C C 13 178.047 0.40 . 1 . . . . A 58 LEU C . 30444 1 649 . 1 1 58 58 LEU CA C 13 54.404 0.40 . 1 . . . . A 58 LEU CA . 30444 1 650 . 1 1 58 58 LEU CB C 13 42.748 0.40 . 1 . . . . A 58 LEU CB . 30444 1 651 . 1 1 58 58 LEU CG C 13 26.817 0.40 . 1 . . . . A 58 LEU CG . 30444 1 652 . 1 1 58 58 LEU CD1 C 13 25.919 0.40 . 2 . . . . A 58 LEU CD1 . 30444 1 653 . 1 1 58 58 LEU CD2 C 13 23.065 0.40 . 2 . . . . A 58 LEU CD2 . 30444 1 654 . 1 1 58 58 LEU N N 15 121.520 0.40 . 1 . . . . A 58 LEU N . 30444 1 655 . 1 1 59 59 ARG H H 1 7.484 0.04 . 1 . . . . A 59 ARG H . 30444 1 656 . 1 1 59 59 ARG HA H 1 3.993 0.04 . 1 . . . . A 59 ARG HA . 30444 1 657 . 1 1 59 59 ARG HB2 H 1 1.818 0.04 . 2 . . . . A 59 ARG HB2 . 30444 1 658 . 1 1 59 59 ARG HB3 H 1 1.960 0.04 . 2 . . . . A 59 ARG HB3 . 30444 1 659 . 1 1 59 59 ARG HG2 H 1 1.690 0.04 . 2 . . . . A 59 ARG HG2 . 30444 1 660 . 1 1 59 59 ARG HG3 H 1 1.690 0.04 . 2 . . . . A 59 ARG HG3 . 30444 1 661 . 1 1 59 59 ARG HD2 H 1 3.205 0.04 . 2 . . . . A 59 ARG HD2 . 30444 1 662 . 1 1 59 59 ARG HD3 H 1 3.205 0.04 . 2 . . . . A 59 ARG HD3 . 30444 1 663 . 1 1 59 59 ARG C C 13 176.181 0.40 . 1 . . . . A 59 ARG C . 30444 1 664 . 1 1 59 59 ARG CA C 13 59.086 0.40 . 1 . . . . A 59 ARG CA . 30444 1 665 . 1 1 59 59 ARG CB C 13 30.721 0.40 . 1 . . . . A 59 ARG CB . 30444 1 666 . 1 1 59 59 ARG CG C 13 26.937 0.40 . 1 . . . . A 59 ARG CG . 30444 1 667 . 1 1 59 59 ARG CD C 13 43.480 0.40 . 1 . . . . A 59 ARG CD . 30444 1 668 . 1 1 59 59 ARG N N 15 121.566 0.40 . 1 . . . . A 59 ARG N . 30444 1 669 . 1 1 60 60 ASP H H 1 8.248 0.04 . 1 . . . . A 60 ASP H . 30444 1 670 . 1 1 60 60 ASP HA H 1 4.727 0.04 . 1 . . . . A 60 ASP HA . 30444 1 671 . 1 1 60 60 ASP HB2 H 1 2.552 0.04 . 2 . . . . A 60 ASP HB2 . 30444 1 672 . 1 1 60 60 ASP HB3 H 1 2.786 0.04 . 2 . . . . A 60 ASP HB3 . 30444 1 673 . 1 1 60 60 ASP C C 13 176.236 0.40 . 1 . . . . A 60 ASP C . 30444 1 674 . 1 1 60 60 ASP CA C 13 54.178 0.40 . 1 . . . . A 60 ASP CA . 30444 1 675 . 1 1 60 60 ASP CB C 13 40.947 0.40 . 1 . . . . A 60 ASP CB . 30444 1 676 . 1 1 60 60 ASP N N 15 116.360 0.40 . 1 . . . . A 60 ASP N . 30444 1 677 . 1 1 61 61 SER H H 1 7.404 0.04 . 1 . . . . A 61 SER H . 30444 1 678 . 1 1 61 61 SER HA H 1 4.379 0.04 . 1 . . . . A 61 SER HA . 30444 1 679 . 1 1 61 61 SER HB2 H 1 3.742 0.04 . 2 . . . . A 61 SER HB2 . 30444 1 680 . 1 1 61 61 SER HB3 H 1 3.742 0.04 . 2 . . . . A 61 SER HB3 . 30444 1 681 . 1 1 61 61 SER C C 13 173.466 0.40 . 1 . . . . A 61 SER C . 30444 1 682 . 1 1 61 61 SER CA C 13 58.709 0.40 . 1 . . . . A 61 SER CA . 30444 1 683 . 1 1 61 61 SER CB C 13 63.870 0.40 . 1 . . . . A 61 SER CB . 30444 1 684 . 1 1 61 61 SER N N 15 115.584 0.40 . 1 . . . . A 61 SER N . 30444 1 685 . 1 1 62 62 ASN H H 1 8.771 0.04 . 1 . . . . A 62 ASN H . 30444 1 686 . 1 1 62 62 ASN HA H 1 4.895 0.04 . 1 . . . . A 62 ASN HA . 30444 1 687 . 1 1 62 62 ASN HB2 H 1 2.740 0.04 . 2 . . . . A 62 ASN HB2 . 30444 1 688 . 1 1 62 62 ASN HB3 H 1 2.899 0.04 . 2 . . . . A 62 ASN HB3 . 30444 1 689 . 1 1 62 62 ASN HD21 H 1 7.080 0.04 . 2 . . . . A 62 ASN HD21 . 30444 1 690 . 1 1 62 62 ASN HD22 H 1 7.734 0.04 . 2 . . . . A 62 ASN HD22 . 30444 1 691 . 1 1 62 62 ASN CA C 13 51.323 0.40 . 1 . . . . A 62 ASN CA . 30444 1 692 . 1 1 62 62 ASN CB C 13 38.534 0.40 . 1 . . . . A 62 ASN CB . 30444 1 693 . 1 1 62 62 ASN N N 15 123.045 0.40 . 1 . . . . A 62 ASN N . 30444 1 694 . 1 1 62 62 ASN ND2 N 15 113.619 0.40 . 1 . . . . A 62 ASN ND2 . 30444 1 695 . 1 1 63 63 PRO HA H 1 4.087 0.04 . 1 . . . . A 63 PRO HA . 30444 1 696 . 1 1 63 63 PRO HB2 H 1 1.978 0.04 . 2 . . . . A 63 PRO HB2 . 30444 1 697 . 1 1 63 63 PRO HB3 H 1 2.225 0.04 . 2 . . . . A 63 PRO HB3 . 30444 1 698 . 1 1 63 63 PRO HG2 H 1 2.069 0.04 . 2 . . . . A 63 PRO HG2 . 30444 1 699 . 1 1 63 63 PRO HG3 H 1 2.110 0.04 . 2 . . . . A 63 PRO HG3 . 30444 1 700 . 1 1 63 63 PRO HD2 H 1 3.884 0.04 . 2 . . . . A 63 PRO HD2 . 30444 1 701 . 1 1 63 63 PRO HD3 H 1 3.841 0.04 . 2 . . . . A 63 PRO HD3 . 30444 1 702 . 1 1 63 63 PRO C C 13 177.592 0.40 . 1 . . . . A 63 PRO C . 30444 1 703 . 1 1 63 63 PRO CA C 13 65.105 0.40 . 1 . . . . A 63 PRO CA . 30444 1 704 . 1 1 63 63 PRO CB C 13 32.049 0.40 . 1 . . . . A 63 PRO CB . 30444 1 705 . 1 1 63 63 PRO CG C 13 27.510 0.40 . 1 . . . . A 63 PRO CG . 30444 1 706 . 1 1 63 63 PRO CD C 13 50.835 0.40 . 1 . . . . A 63 PRO CD . 30444 1 707 . 1 1 64 64 GLU H H 1 8.447 0.04 . 1 . . . . A 64 GLU H . 30444 1 708 . 1 1 64 64 GLU HA H 1 4.171 0.04 . 1 . . . . A 64 GLU HA . 30444 1 709 . 1 1 64 64 GLU HB2 H 1 1.939 0.04 . 2 . . . . A 64 GLU HB2 . 30444 1 710 . 1 1 64 64 GLU HB3 H 1 2.095 0.04 . 2 . . . . A 64 GLU HB3 . 30444 1 711 . 1 1 64 64 GLU HG2 H 1 2.257 0.04 . 2 . . . . A 64 GLU HG2 . 30444 1 712 . 1 1 64 64 GLU HG3 H 1 2.307 0.04 . 2 . . . . A 64 GLU HG3 . 30444 1 713 . 1 1 64 64 GLU C C 13 177.053 0.40 . 1 . . . . A 64 GLU C . 30444 1 714 . 1 1 64 64 GLU CA C 13 57.887 0.40 . 1 . . . . A 64 GLU CA . 30444 1 715 . 1 1 64 64 GLU CB C 13 29.370 0.40 . 1 . . . . A 64 GLU CB . 30444 1 716 . 1 1 64 64 GLU CG C 13 36.320 0.40 . 1 . . . . A 64 GLU CG . 30444 1 717 . 1 1 64 64 GLU N N 15 115.118 0.40 . 1 . . . . A 64 GLU N . 30444 1 718 . 1 1 65 65 GLU H H 1 7.793 0.04 . 1 . . . . A 65 GLU H . 30444 1 719 . 1 1 65 65 GLU HA H 1 4.409 0.04 . 1 . . . . A 65 GLU HA . 30444 1 720 . 1 1 65 65 GLU HB2 H 1 1.901 0.04 . 2 . . . . A 65 GLU HB2 . 30444 1 721 . 1 1 65 65 GLU HB3 H 1 2.185 0.04 . 2 . . . . A 65 GLU HB3 . 30444 1 722 . 1 1 65 65 GLU HG2 H 1 2.128 0.04 . 2 . . . . A 65 GLU HG2 . 30444 1 723 . 1 1 65 65 GLU HG3 H 1 2.236 0.04 . 2 . . . . A 65 GLU HG3 . 30444 1 724 . 1 1 65 65 GLU C C 13 176.130 0.40 . 1 . . . . A 65 GLU C . 30444 1 725 . 1 1 65 65 GLU CA C 13 55.516 0.40 . 1 . . . . A 65 GLU CA . 30444 1 726 . 1 1 65 65 GLU CB C 13 31.035 0.40 . 1 . . . . A 65 GLU CB . 30444 1 727 . 1 1 65 65 GLU CG C 13 36.523 0.40 . 1 . . . . A 65 GLU CG . 30444 1 728 . 1 1 65 65 GLU N N 15 117.205 0.40 . 1 . . . . A 65 GLU N . 30444 1 729 . 1 1 66 66 ILE H H 1 7.303 0.04 . 1 . . . . A 66 ILE H . 30444 1 730 . 1 1 66 66 ILE HA H 1 3.987 0.04 . 1 . . . . A 66 ILE HA . 30444 1 731 . 1 1 66 66 ILE HB H 1 1.798 0.04 . 1 . . . . A 66 ILE HB . 30444 1 732 . 1 1 66 66 ILE HG12 H 1 1.091 0.04 . 2 . . . . A 66 ILE HG12 . 30444 1 733 . 1 1 66 66 ILE HG13 H 1 1.537 0.04 . 2 . . . . A 66 ILE HG13 . 30444 1 734 . 1 1 66 66 ILE HG21 H 1 0.769 0.04 . 1 . . . . A 66 ILE HG21 . 30444 1 735 . 1 1 66 66 ILE HG22 H 1 0.769 0.04 . 1 . . . . A 66 ILE HG22 . 30444 1 736 . 1 1 66 66 ILE HG23 H 1 0.769 0.04 . 1 . . . . A 66 ILE HG23 . 30444 1 737 . 1 1 66 66 ILE HD11 H 1 0.783 0.04 . 1 . . . . A 66 ILE HD11 . 30444 1 738 . 1 1 66 66 ILE HD12 H 1 0.783 0.04 . 1 . . . . A 66 ILE HD12 . 30444 1 739 . 1 1 66 66 ILE HD13 H 1 0.783 0.04 . 1 . . . . A 66 ILE HD13 . 30444 1 740 . 1 1 66 66 ILE C C 13 174.901 0.40 . 1 . . . . A 66 ILE C . 30444 1 741 . 1 1 66 66 ILE CA C 13 61.690 0.40 . 1 . . . . A 66 ILE CA . 30444 1 742 . 1 1 66 66 ILE CB C 13 38.739 0.40 . 1 . . . . A 66 ILE CB . 30444 1 743 . 1 1 66 66 ILE CG1 C 13 27.703 0.40 . 1 . . . . A 66 ILE CG1 . 30444 1 744 . 1 1 66 66 ILE CG2 C 13 16.860 0.40 . 1 . . . . A 66 ILE CG2 . 30444 1 745 . 1 1 66 66 ILE CD1 C 13 13.685 0.40 . 1 . . . . A 66 ILE CD1 . 30444 1 746 . 1 1 66 66 ILE N N 15 120.537 0.40 . 1 . . . . A 66 ILE N . 30444 1 747 . 1 1 67 67 GLU H H 1 8.289 0.04 . 1 . . . . A 67 GLU H . 30444 1 748 . 1 1 67 67 GLU HA H 1 4.428 0.04 . 1 . . . . A 67 GLU HA . 30444 1 749 . 1 1 67 67 GLU HB2 H 1 1.827 0.04 . 2 . . . . A 67 GLU HB2 . 30444 1 750 . 1 1 67 67 GLU HB3 H 1 1.890 0.04 . 2 . . . . A 67 GLU HB3 . 30444 1 751 . 1 1 67 67 GLU HG2 H 1 2.071 0.04 . 2 . . . . A 67 GLU HG2 . 30444 1 752 . 1 1 67 67 GLU HG3 H 1 2.175 0.04 . 2 . . . . A 67 GLU HG3 . 30444 1 753 . 1 1 67 67 GLU C C 13 175.682 0.40 . 1 . . . . A 67 GLU C . 30444 1 754 . 1 1 67 67 GLU CA C 13 54.880 0.40 . 1 . . . . A 67 GLU CA . 30444 1 755 . 1 1 67 67 GLU CB C 13 30.770 0.40 . 1 . . . . A 67 GLU CB . 30444 1 756 . 1 1 67 67 GLU CG C 13 36.142 0.40 . 1 . . . . A 67 GLU CG . 30444 1 757 . 1 1 67 67 GLU N N 15 127.519 0.40 . 1 . . . . A 67 GLU N . 30444 1 758 . 1 1 68 68 ILE H H 1 8.542 0.04 . 1 . . . . A 68 ILE H . 30444 1 759 . 1 1 68 68 ILE HA H 1 3.572 0.04 . 1 . . . . A 68 ILE HA . 30444 1 760 . 1 1 68 68 ILE HB H 1 1.537 0.04 . 1 . . . . A 68 ILE HB . 30444 1 761 . 1 1 68 68 ILE HG12 H 1 0.707 0.04 . 2 . . . . A 68 ILE HG12 . 30444 1 762 . 1 1 68 68 ILE HG13 H 1 0.707 0.04 . 2 . . . . A 68 ILE HG13 . 30444 1 763 . 1 1 68 68 ILE HG21 H 1 0.263 0.04 . 1 . . . . A 68 ILE HG21 . 30444 1 764 . 1 1 68 68 ILE HG22 H 1 0.263 0.04 . 1 . . . . A 68 ILE HG22 . 30444 1 765 . 1 1 68 68 ILE HG23 H 1 0.263 0.04 . 1 . . . . A 68 ILE HG23 . 30444 1 766 . 1 1 68 68 ILE HD11 H 1 0.707 0.04 . 1 . . . . A 68 ILE HD11 . 30444 1 767 . 1 1 68 68 ILE HD12 H 1 0.707 0.04 . 1 . . . . A 68 ILE HD12 . 30444 1 768 . 1 1 68 68 ILE HD13 H 1 0.707 0.04 . 1 . . . . A 68 ILE HD13 . 30444 1 769 . 1 1 68 68 ILE C C 13 174.637 0.40 . 1 . . . . A 68 ILE C . 30444 1 770 . 1 1 68 68 ILE CA C 13 61.892 0.40 . 1 . . . . A 68 ILE CA . 30444 1 771 . 1 1 68 68 ILE CB C 13 37.800 0.40 . 1 . . . . A 68 ILE CB . 30444 1 772 . 1 1 68 68 ILE CG1 C 13 27.522 0.40 . 1 . . . . A 68 ILE CG1 . 30444 1 773 . 1 1 68 68 ILE CG2 C 13 17.482 0.40 . 1 . . . . A 68 ILE CG2 . 30444 1 774 . 1 1 68 68 ILE CD1 C 13 13.161 0.40 . 1 . . . . A 68 ILE CD1 . 30444 1 775 . 1 1 68 68 ILE N N 15 125.304 0.40 . 1 . . . . A 68 ILE N . 30444 1 776 . 1 1 69 69 ASP H H 1 8.489 0.04 . 1 . . . . A 69 ASP H . 30444 1 777 . 1 1 69 69 ASP HA H 1 4.740 0.04 . 1 . . . . A 69 ASP HA . 30444 1 778 . 1 1 69 69 ASP HB2 H 1 2.406 0.04 . 2 . . . . A 69 ASP HB2 . 30444 1 779 . 1 1 69 69 ASP HB3 H 1 2.827 0.04 . 2 . . . . A 69 ASP HB3 . 30444 1 780 . 1 1 69 69 ASP C C 13 177.338 0.40 . 1 . . . . A 69 ASP C . 30444 1 781 . 1 1 69 69 ASP CA C 13 52.390 0.40 . 1 . . . . A 69 ASP CA . 30444 1 782 . 1 1 69 69 ASP CB C 13 41.408 0.40 . 1 . . . . A 69 ASP CB . 30444 1 783 . 1 1 69 69 ASP N N 15 127.344 0.40 . 1 . . . . A 69 ASP N . 30444 1 784 . 1 1 70 70 PHE H H 1 8.696 0.04 . 1 . . . . A 70 PHE H . 30444 1 785 . 1 1 70 70 PHE HA H 1 4.097 0.04 . 1 . . . . A 70 PHE HA . 30444 1 786 . 1 1 70 70 PHE HB2 H 1 3.100 0.04 . 2 . . . . A 70 PHE HB2 . 30444 1 787 . 1 1 70 70 PHE HB3 H 1 3.154 0.04 . 2 . . . . A 70 PHE HB3 . 30444 1 788 . 1 1 70 70 PHE HD1 H 1 7.104 0.04 . 3 . . . . A 70 PHE HD1 . 30444 1 789 . 1 1 70 70 PHE HD2 H 1 7.104 0.04 . 3 . . . . A 70 PHE HD2 . 30444 1 790 . 1 1 70 70 PHE HE1 H 1 7.153 0.04 . 3 . . . . A 70 PHE HE1 . 30444 1 791 . 1 1 70 70 PHE HE2 H 1 7.153 0.04 . 3 . . . . A 70 PHE HE2 . 30444 1 792 . 1 1 70 70 PHE HZ H 1 7.018 0.04 . 1 . . . . A 70 PHE HZ . 30444 1 793 . 1 1 70 70 PHE C C 13 176.995 0.40 . 1 . . . . A 70 PHE C . 30444 1 794 . 1 1 70 70 PHE CA C 13 59.826 0.40 . 1 . . . . A 70 PHE CA . 30444 1 795 . 1 1 70 70 PHE CB C 13 38.080 0.40 . 1 . . . . A 70 PHE CB . 30444 1 796 . 1 1 70 70 PHE CD1 C 13 130.744 0.40 . 3 . . . . A 70 PHE CD1 . 30444 1 797 . 1 1 70 70 PHE CE1 C 13 131.000 0.40 . 3 . . . . A 70 PHE CE1 . 30444 1 798 . 1 1 70 70 PHE CZ C 13 128.913 0.40 . 1 . . . . A 70 PHE CZ . 30444 1 799 . 1 1 70 70 PHE N N 15 123.636 0.40 . 1 . . . . A 70 PHE N . 30444 1 800 . 1 1 71 71 GLU H H 1 8.395 0.04 . 1 . . . . A 71 GLU H . 30444 1 801 . 1 1 71 71 GLU HA H 1 4.236 0.04 . 1 . . . . A 71 GLU HA . 30444 1 802 . 1 1 71 71 GLU HB2 H 1 2.193 0.04 . 2 . . . . A 71 GLU HB2 . 30444 1 803 . 1 1 71 71 GLU HB3 H 1 2.193 0.04 . 2 . . . . A 71 GLU HB3 . 30444 1 804 . 1 1 71 71 GLU HG2 H 1 2.256 0.04 . 2 . . . . A 71 GLU HG2 . 30444 1 805 . 1 1 71 71 GLU HG3 H 1 2.288 0.04 . 2 . . . . A 71 GLU HG3 . 30444 1 806 . 1 1 71 71 GLU C C 13 177.944 0.40 . 1 . . . . A 71 GLU C . 30444 1 807 . 1 1 71 71 GLU CA C 13 57.601 0.40 . 1 . . . . A 71 GLU CA . 30444 1 808 . 1 1 71 71 GLU CB C 13 29.495 0.40 . 1 . . . . A 71 GLU CB . 30444 1 809 . 1 1 71 71 GLU CG C 13 36.493 0.40 . 1 . . . . A 71 GLU CG . 30444 1 810 . 1 1 71 71 GLU N N 15 114.860 0.40 . 1 . . . . A 71 GLU N . 30444 1 811 . 1 1 72 72 THR H H 1 7.479 0.04 . 1 . . . . A 72 THR H . 30444 1 812 . 1 1 72 72 THR HA H 1 4.483 0.04 . 1 . . . . A 72 THR HA . 30444 1 813 . 1 1 72 72 THR HB H 1 4.400 0.04 . 1 . . . . A 72 THR HB . 30444 1 814 . 1 1 72 72 THR HG21 H 1 1.141 0.04 . 1 . . . . A 72 THR HG21 . 30444 1 815 . 1 1 72 72 THR HG22 H 1 1.141 0.04 . 1 . . . . A 72 THR HG22 . 30444 1 816 . 1 1 72 72 THR HG23 H 1 1.141 0.04 . 1 . . . . A 72 THR HG23 . 30444 1 817 . 1 1 72 72 THR C C 13 174.751 0.40 . 1 . . . . A 72 THR C . 30444 1 818 . 1 1 72 72 THR CA C 13 61.402 0.40 . 1 . . . . A 72 THR CA . 30444 1 819 . 1 1 72 72 THR CB C 13 69.813 0.40 . 1 . . . . A 72 THR CB . 30444 1 820 . 1 1 72 72 THR CG2 C 13 21.837 0.40 . 1 . . . . A 72 THR CG2 . 30444 1 821 . 1 1 72 72 THR N N 15 106.781 0.40 . 1 . . . . A 72 THR N . 30444 1 822 . 1 1 73 73 LEU H H 1 6.766 0.04 . 1 . . . . A 73 LEU H . 30444 1 823 . 1 1 73 73 LEU HA H 1 4.378 0.04 . 1 . . . . A 73 LEU HA . 30444 1 824 . 1 1 73 73 LEU HB2 H 1 1.284 0.04 . 2 . . . . A 73 LEU HB2 . 30444 1 825 . 1 1 73 73 LEU HB3 H 1 1.606 0.04 . 2 . . . . A 73 LEU HB3 . 30444 1 826 . 1 1 73 73 LEU HG H 1 1.915 0.04 . 1 . . . . A 73 LEU HG . 30444 1 827 . 1 1 73 73 LEU HD11 H 1 0.662 0.04 . 2 . . . . A 73 LEU HD11 . 30444 1 828 . 1 1 73 73 LEU HD12 H 1 0.662 0.04 . 2 . . . . A 73 LEU HD12 . 30444 1 829 . 1 1 73 73 LEU HD13 H 1 0.662 0.04 . 2 . . . . A 73 LEU HD13 . 30444 1 830 . 1 1 73 73 LEU HD21 H 1 0.777 0.04 . 2 . . . . A 73 LEU HD21 . 30444 1 831 . 1 1 73 73 LEU HD22 H 1 0.777 0.04 . 2 . . . . A 73 LEU HD22 . 30444 1 832 . 1 1 73 73 LEU HD23 H 1 0.777 0.04 . 2 . . . . A 73 LEU HD23 . 30444 1 833 . 1 1 73 73 LEU C C 13 176.618 0.40 . 1 . . . . A 73 LEU C . 30444 1 834 . 1 1 73 73 LEU CA C 13 54.095 0.40 . 1 . . . . A 73 LEU CA . 30444 1 835 . 1 1 73 73 LEU CB C 13 43.338 0.40 . 1 . . . . A 73 LEU CB . 30444 1 836 . 1 1 73 73 LEU CG C 13 26.256 0.40 . 1 . . . . A 73 LEU CG . 30444 1 837 . 1 1 73 73 LEU CD1 C 13 25.978 0.40 . 2 . . . . A 73 LEU CD1 . 30444 1 838 . 1 1 73 73 LEU CD2 C 13 23.447 0.40 . 2 . . . . A 73 LEU CD2 . 30444 1 839 . 1 1 73 73 LEU N N 15 121.002 0.40 . 1 . . . . A 73 LEU N . 30444 1 840 . 1 1 74 74 LYS H H 1 9.936 0.04 . 1 . . . . A 74 LYS H . 30444 1 841 . 1 1 74 74 LYS HA H 1 4.454 0.04 . 1 . . . . A 74 LYS HA . 30444 1 842 . 1 1 74 74 LYS HB2 H 1 1.877 0.04 . 2 . . . . A 74 LYS HB2 . 30444 1 843 . 1 1 74 74 LYS HB3 H 1 1.877 0.04 . 2 . . . . A 74 LYS HB3 . 30444 1 844 . 1 1 74 74 LYS HG2 H 1 1.447 0.04 . 2 . . . . A 74 LYS HG2 . 30444 1 845 . 1 1 74 74 LYS HG3 H 1 1.447 0.04 . 2 . . . . A 74 LYS HG3 . 30444 1 846 . 1 1 74 74 LYS HD2 H 1 1.709 0.04 . 2 . . . . A 74 LYS HD2 . 30444 1 847 . 1 1 74 74 LYS HD3 H 1 1.709 0.04 . 2 . . . . A 74 LYS HD3 . 30444 1 848 . 1 1 74 74 LYS HE2 H 1 2.985 0.04 . 2 . . . . A 74 LYS HE2 . 30444 1 849 . 1 1 74 74 LYS HE3 H 1 2.985 0.04 . 2 . . . . A 74 LYS HE3 . 30444 1 850 . 1 1 74 74 LYS CA C 13 55.647 0.40 . 1 . . . . A 74 LYS CA . 30444 1 851 . 1 1 74 74 LYS CB C 13 32.266 0.40 . 1 . . . . A 74 LYS CB . 30444 1 852 . 1 1 74 74 LYS CG C 13 24.881 0.40 . 1 . . . . A 74 LYS CG . 30444 1 853 . 1 1 74 74 LYS CD C 13 29.195 0.40 . 1 . . . . A 74 LYS CD . 30444 1 854 . 1 1 74 74 LYS CE C 13 42.249 0.40 . 1 . . . . A 74 LYS CE . 30444 1 855 . 1 1 74 74 LYS N N 15 123.646 0.40 . 1 . . . . A 74 LYS N . 30444 1 856 . 1 1 75 75 PRO HA H 1 4.176 0.04 . 1 . . . . A 75 PRO HA . 30444 1 857 . 1 1 75 75 PRO HB2 H 1 1.982 0.04 . 2 . . . . A 75 PRO HB2 . 30444 1 858 . 1 1 75 75 PRO HB3 H 1 2.175 0.04 . 2 . . . . A 75 PRO HB3 . 30444 1 859 . 1 1 75 75 PRO HD2 H 1 3.960 0.04 . 2 . . . . A 75 PRO HD2 . 30444 1 860 . 1 1 75 75 PRO HD3 H 1 3.960 0.04 . 2 . . . . A 75 PRO HD3 . 30444 1 861 . 1 1 75 75 PRO C C 13 178.714 0.40 . 1 . . . . A 75 PRO C . 30444 1 862 . 1 1 75 75 PRO CA C 13 66.214 0.40 . 1 . . . . A 75 PRO CA . 30444 1 863 . 1 1 75 75 PRO CB C 13 31.992 0.40 . 1 . . . . A 75 PRO CB . 30444 1 864 . 1 1 75 75 PRO CD C 13 50.620 0.40 . 1 . . . . A 75 PRO CD . 30444 1 865 . 1 1 76 76 SER H H 1 8.401 0.04 . 1 . . . . A 76 SER H . 30444 1 866 . 1 1 76 76 SER HA H 1 4.228 0.04 . 1 . . . . A 76 SER HA . 30444 1 867 . 1 1 76 76 SER HB2 H 1 3.961 0.04 . 2 . . . . A 76 SER HB2 . 30444 1 868 . 1 1 76 76 SER HB3 H 1 3.961 0.04 . 2 . . . . A 76 SER HB3 . 30444 1 869 . 1 1 76 76 SER C C 13 177.801 0.40 . 1 . . . . A 76 SER C . 30444 1 870 . 1 1 76 76 SER CA C 13 60.777 0.40 . 1 . . . . A 76 SER CA . 30444 1 871 . 1 1 76 76 SER CB C 13 61.691 0.40 . 1 . . . . A 76 SER CB . 30444 1 872 . 1 1 76 76 SER N N 15 110.084 0.40 . 1 . . . . A 76 SER N . 30444 1 873 . 1 1 77 77 THR H H 1 7.413 0.04 . 1 . . . . A 77 THR H . 30444 1 874 . 1 1 77 77 THR HA H 1 3.815 0.04 . 1 . . . . A 77 THR HA . 30444 1 875 . 1 1 77 77 THR HB H 1 4.523 0.04 . 1 . . . . A 77 THR HB . 30444 1 876 . 1 1 77 77 THR HG21 H 1 1.196 0.04 . 1 . . . . A 77 THR HG21 . 30444 1 877 . 1 1 77 77 THR HG22 H 1 1.196 0.04 . 1 . . . . A 77 THR HG22 . 30444 1 878 . 1 1 77 77 THR HG23 H 1 1.196 0.04 . 1 . . . . A 77 THR HG23 . 30444 1 879 . 1 1 77 77 THR C C 13 176.163 0.40 . 1 . . . . A 77 THR C . 30444 1 880 . 1 1 77 77 THR CA C 13 66.011 0.40 . 1 . . . . A 77 THR CA . 30444 1 881 . 1 1 77 77 THR CB C 13 67.315 0.40 . 1 . . . . A 77 THR CB . 30444 1 882 . 1 1 77 77 THR CG2 C 13 24.488 0.40 . 1 . . . . A 77 THR CG2 . 30444 1 883 . 1 1 77 77 THR N N 15 122.525 0.40 . 1 . . . . A 77 THR N . 30444 1 884 . 1 1 78 78 LEU H H 1 7.916 0.04 . 1 . . . . A 78 LEU H . 30444 1 885 . 1 1 78 78 LEU HA H 1 3.779 0.04 . 1 . . . . A 78 LEU HA . 30444 1 886 . 1 1 78 78 LEU HB2 H 1 1.575 0.04 . 2 . . . . A 78 LEU HB2 . 30444 1 887 . 1 1 78 78 LEU HB3 H 1 1.999 0.04 . 2 . . . . A 78 LEU HB3 . 30444 1 888 . 1 1 78 78 LEU HG H 1 1.588 0.04 . 1 . . . . A 78 LEU HG . 30444 1 889 . 1 1 78 78 LEU HD11 H 1 0.919 0.04 . 2 . . . . A 78 LEU HD11 . 30444 1 890 . 1 1 78 78 LEU HD12 H 1 0.919 0.04 . 2 . . . . A 78 LEU HD12 . 30444 1 891 . 1 1 78 78 LEU HD13 H 1 0.919 0.04 . 2 . . . . A 78 LEU HD13 . 30444 1 892 . 1 1 78 78 LEU HD21 H 1 0.745 0.04 . 2 . . . . A 78 LEU HD21 . 30444 1 893 . 1 1 78 78 LEU HD22 H 1 0.745 0.04 . 2 . . . . A 78 LEU HD22 . 30444 1 894 . 1 1 78 78 LEU HD23 H 1 0.745 0.04 . 2 . . . . A 78 LEU HD23 . 30444 1 895 . 1 1 78 78 LEU C C 13 179.069 0.40 . 1 . . . . A 78 LEU C . 30444 1 896 . 1 1 78 78 LEU CA C 13 58.627 0.40 . 1 . . . . A 78 LEU CA . 30444 1 897 . 1 1 78 78 LEU CB C 13 41.028 0.40 . 1 . . . . A 78 LEU CB . 30444 1 898 . 1 1 78 78 LEU CG C 13 26.843 0.40 . 1 . . . . A 78 LEU CG . 30444 1 899 . 1 1 78 78 LEU CD1 C 13 26.274 0.40 . 2 . . . . A 78 LEU CD1 . 30444 1 900 . 1 1 78 78 LEU CD2 C 13 24.327 0.40 . 2 . . . . A 78 LEU CD2 . 30444 1 901 . 1 1 78 78 LEU N N 15 120.782 0.40 . 1 . . . . A 78 LEU N . 30444 1 902 . 1 1 79 79 ARG H H 1 8.313 0.04 . 1 . . . . A 79 ARG H . 30444 1 903 . 1 1 79 79 ARG HA H 1 4.177 0.04 . 1 . . . . A 79 ARG HA . 30444 1 904 . 1 1 79 79 ARG HB2 H 1 1.930 0.04 . 2 . . . . A 79 ARG HB2 . 30444 1 905 . 1 1 79 79 ARG HB3 H 1 1.930 0.04 . 2 . . . . A 79 ARG HB3 . 30444 1 906 . 1 1 79 79 ARG C C 13 179.123 0.40 . 1 . . . . A 79 ARG C . 30444 1 907 . 1 1 79 79 ARG CA C 13 57.699 0.40 . 1 . . . . A 79 ARG CA . 30444 1 908 . 1 1 79 79 ARG CB C 13 29.262 0.40 . 1 . . . . A 79 ARG CB . 30444 1 909 . 1 1 79 79 ARG N N 15 115.828 0.40 . 1 . . . . A 79 ARG N . 30444 1 910 . 1 1 80 80 GLU H H 1 7.834 0.04 . 1 . . . . A 80 GLU H . 30444 1 911 . 1 1 80 80 GLU HA H 1 4.210 0.04 . 1 . . . . A 80 GLU HA . 30444 1 912 . 1 1 80 80 GLU HB2 H 1 2.051 0.04 . 2 . . . . A 80 GLU HB2 . 30444 1 913 . 1 1 80 80 GLU HB3 H 1 2.051 0.04 . 2 . . . . A 80 GLU HB3 . 30444 1 914 . 1 1 80 80 GLU HG2 H 1 2.247 0.04 . 2 . . . . A 80 GLU HG2 . 30444 1 915 . 1 1 80 80 GLU HG3 H 1 2.283 0.04 . 2 . . . . A 80 GLU HG3 . 30444 1 916 . 1 1 80 80 GLU C C 13 179.603 0.40 . 1 . . . . A 80 GLU C . 30444 1 917 . 1 1 80 80 GLU CA C 13 59.616 0.40 . 1 . . . . A 80 GLU CA . 30444 1 918 . 1 1 80 80 GLU CB C 13 28.828 0.40 . 1 . . . . A 80 GLU CB . 30444 1 919 . 1 1 80 80 GLU CG C 13 35.879 0.40 . 1 . . . . A 80 GLU CG . 30444 1 920 . 1 1 80 80 GLU N N 15 122.756 0.40 . 1 . . . . A 80 GLU N . 30444 1 921 . 1 1 81 81 LEU H H 1 8.440 0.04 . 1 . . . . A 81 LEU H . 30444 1 922 . 1 1 81 81 LEU HA H 1 4.123 0.04 . 1 . . . . A 81 LEU HA . 30444 1 923 . 1 1 81 81 LEU HB2 H 1 1.376 0.04 . 2 . . . . A 81 LEU HB2 . 30444 1 924 . 1 1 81 81 LEU HB3 H 1 2.249 0.04 . 2 . . . . A 81 LEU HB3 . 30444 1 925 . 1 1 81 81 LEU HG H 1 1.961 0.04 . 1 . . . . A 81 LEU HG . 30444 1 926 . 1 1 81 81 LEU HD11 H 1 0.826 0.04 . 2 . . . . A 81 LEU HD11 . 30444 1 927 . 1 1 81 81 LEU HD12 H 1 0.826 0.04 . 2 . . . . A 81 LEU HD12 . 30444 1 928 . 1 1 81 81 LEU HD13 H 1 0.826 0.04 . 2 . . . . A 81 LEU HD13 . 30444 1 929 . 1 1 81 81 LEU HD21 H 1 0.977 0.04 . 2 . . . . A 81 LEU HD21 . 30444 1 930 . 1 1 81 81 LEU HD22 H 1 0.977 0.04 . 2 . . . . A 81 LEU HD22 . 30444 1 931 . 1 1 81 81 LEU HD23 H 1 0.977 0.04 . 2 . . . . A 81 LEU HD23 . 30444 1 932 . 1 1 81 81 LEU C C 13 178.129 0.40 . 1 . . . . A 81 LEU C . 30444 1 933 . 1 1 81 81 LEU CA C 13 58.298 0.40 . 1 . . . . A 81 LEU CA . 30444 1 934 . 1 1 81 81 LEU CB C 13 42.563 0.40 . 1 . . . . A 81 LEU CB . 30444 1 935 . 1 1 81 81 LEU CG C 13 26.634 0.40 . 1 . . . . A 81 LEU CG . 30444 1 936 . 1 1 81 81 LEU CD1 C 13 25.458 0.40 . 2 . . . . A 81 LEU CD1 . 30444 1 937 . 1 1 81 81 LEU CD2 C 13 24.746 0.40 . 2 . . . . A 81 LEU CD2 . 30444 1 938 . 1 1 81 81 LEU N N 15 119.943 0.40 . 1 . . . . A 81 LEU N . 30444 1 939 . 1 1 82 82 GLU H H 1 8.574 0.04 . 1 . . . . A 82 GLU H . 30444 1 940 . 1 1 82 82 GLU HA H 1 3.765 0.04 . 1 . . . . A 82 GLU HA . 30444 1 941 . 1 1 82 82 GLU HB2 H 1 2.376 0.04 . 2 . . . . A 82 GLU HB2 . 30444 1 942 . 1 1 82 82 GLU HB3 H 1 1.954 0.04 . 2 . . . . A 82 GLU HB3 . 30444 1 943 . 1 1 82 82 GLU HG2 H 1 2.125 0.04 . 2 . . . . A 82 GLU HG2 . 30444 1 944 . 1 1 82 82 GLU HG3 H 1 2.191 0.04 . 2 . . . . A 82 GLU HG3 . 30444 1 945 . 1 1 82 82 GLU C C 13 178.021 0.40 . 1 . . . . A 82 GLU C . 30444 1 946 . 1 1 82 82 GLU CA C 13 59.908 0.40 . 1 . . . . A 82 GLU CA . 30444 1 947 . 1 1 82 82 GLU CB C 13 30.498 0.40 . 1 . . . . A 82 GLU CB . 30444 1 948 . 1 1 82 82 GLU CG C 13 36.126 0.40 . 1 . . . . A 82 GLU CG . 30444 1 949 . 1 1 82 82 GLU N N 15 120.326 0.40 . 1 . . . . A 82 GLU N . 30444 1 950 . 1 1 83 83 ARG H H 1 7.912 0.04 . 1 . . . . A 83 ARG H . 30444 1 951 . 1 1 83 83 ARG HA H 1 3.989 0.04 . 1 . . . . A 83 ARG HA . 30444 1 952 . 1 1 83 83 ARG HB2 H 1 1.931 0.04 . 2 . . . . A 83 ARG HB2 . 30444 1 953 . 1 1 83 83 ARG HB3 H 1 2.047 0.04 . 2 . . . . A 83 ARG HB3 . 30444 1 954 . 1 1 83 83 ARG HG2 H 1 1.619 0.04 . 2 . . . . A 83 ARG HG2 . 30444 1 955 . 1 1 83 83 ARG HG3 H 1 1.934 0.04 . 2 . . . . A 83 ARG HG3 . 30444 1 956 . 1 1 83 83 ARG HD2 H 1 3.322 0.04 . 2 . . . . A 83 ARG HD2 . 30444 1 957 . 1 1 83 83 ARG HD3 H 1 3.217 0.04 . 2 . . . . A 83 ARG HD3 . 30444 1 958 . 1 1 83 83 ARG C C 13 179.466 0.40 . 1 . . . . A 83 ARG C . 30444 1 959 . 1 1 83 83 ARG CA C 13 60.013 0.40 . 1 . . . . A 83 ARG CA . 30444 1 960 . 1 1 83 83 ARG CB C 13 30.489 0.40 . 1 . . . . A 83 ARG CB . 30444 1 961 . 1 1 83 83 ARG CG C 13 28.206 0.40 . 1 . . . . A 83 ARG CG . 30444 1 962 . 1 1 83 83 ARG CD C 13 43.634 0.40 . 1 . . . . A 83 ARG CD . 30444 1 963 . 1 1 83 83 ARG N N 15 118.085 0.40 . 1 . . . . A 83 ARG N . 30444 1 964 . 1 1 84 84 TYR H H 1 8.263 0.04 . 1 . . . . A 84 TYR H . 30444 1 965 . 1 1 84 84 TYR HA H 1 4.304 0.04 . 1 . . . . A 84 TYR HA . 30444 1 966 . 1 1 84 84 TYR HB2 H 1 2.995 0.04 . 2 . . . . A 84 TYR HB2 . 30444 1 967 . 1 1 84 84 TYR HB3 H 1 3.313 0.04 . 2 . . . . A 84 TYR HB3 . 30444 1 968 . 1 1 84 84 TYR HD1 H 1 6.896 0.04 . 3 . . . . A 84 TYR HD1 . 30444 1 969 . 1 1 84 84 TYR HD2 H 1 6.896 0.04 . 3 . . . . A 84 TYR HD2 . 30444 1 970 . 1 1 84 84 TYR HE1 H 1 6.676 0.04 . 3 . . . . A 84 TYR HE1 . 30444 1 971 . 1 1 84 84 TYR HE2 H 1 6.676 0.04 . 3 . . . . A 84 TYR HE2 . 30444 1 972 . 1 1 84 84 TYR C C 13 178.860 0.40 . 1 . . . . A 84 TYR C . 30444 1 973 . 1 1 84 84 TYR CA C 13 61.615 0.40 . 1 . . . . A 84 TYR CA . 30444 1 974 . 1 1 84 84 TYR CB C 13 38.309 0.40 . 1 . . . . A 84 TYR CB . 30444 1 975 . 1 1 84 84 TYR CD1 C 13 132.405 0.40 . 3 . . . . A 84 TYR CD1 . 30444 1 976 . 1 1 84 84 TYR CE1 C 13 118.394 0.40 . 3 . . . . A 84 TYR CE1 . 30444 1 977 . 1 1 84 84 TYR N N 15 121.084 0.40 . 1 . . . . A 84 TYR N . 30444 1 978 . 1 1 85 85 VAL H H 1 9.083 0.04 . 1 . . . . A 85 VAL H . 30444 1 979 . 1 1 85 85 VAL HA H 1 3.218 0.04 . 1 . . . . A 85 VAL HA . 30444 1 980 . 1 1 85 85 VAL HB H 1 2.112 0.04 . 1 . . . . A 85 VAL HB . 30444 1 981 . 1 1 85 85 VAL HG11 H 1 0.917 0.04 . 2 . . . . A 85 VAL HG11 . 30444 1 982 . 1 1 85 85 VAL HG12 H 1 0.917 0.04 . 2 . . . . A 85 VAL HG12 . 30444 1 983 . 1 1 85 85 VAL HG13 H 1 0.917 0.04 . 2 . . . . A 85 VAL HG13 . 30444 1 984 . 1 1 85 85 VAL HG21 H 1 1.109 0.04 . 2 . . . . A 85 VAL HG21 . 30444 1 985 . 1 1 85 85 VAL HG22 H 1 1.109 0.04 . 2 . . . . A 85 VAL HG22 . 30444 1 986 . 1 1 85 85 VAL HG23 H 1 1.109 0.04 . 2 . . . . A 85 VAL HG23 . 30444 1 987 . 1 1 85 85 VAL C C 13 178.029 0.40 . 1 . . . . A 85 VAL C . 30444 1 988 . 1 1 85 85 VAL CA C 13 67.468 0.40 . 1 . . . . A 85 VAL CA . 30444 1 989 . 1 1 85 85 VAL CB C 13 31.498 0.40 . 1 . . . . A 85 VAL CB . 30444 1 990 . 1 1 85 85 VAL CG1 C 13 22.148 0.40 . 2 . . . . A 85 VAL CG1 . 30444 1 991 . 1 1 85 85 VAL CG2 C 13 23.799 0.40 . 2 . . . . A 85 VAL CG2 . 30444 1 992 . 1 1 85 85 VAL N N 15 121.563 0.40 . 1 . . . . A 85 VAL N . 30444 1 993 . 1 1 86 86 LEU H H 1 8.155 0.04 . 1 . . . . A 86 LEU H . 30444 1 994 . 1 1 86 86 LEU HA H 1 3.963 0.04 . 1 . . . . A 86 LEU HA . 30444 1 995 . 1 1 86 86 LEU HB2 H 1 1.547 0.04 . 2 . . . . A 86 LEU HB2 . 30444 1 996 . 1 1 86 86 LEU HB3 H 1 1.805 0.04 . 2 . . . . A 86 LEU HB3 . 30444 1 997 . 1 1 86 86 LEU HG H 1 1.751 0.04 . 1 . . . . A 86 LEU HG . 30444 1 998 . 1 1 86 86 LEU HD11 H 1 0.861 0.04 . 2 . . . . A 86 LEU HD11 . 30444 1 999 . 1 1 86 86 LEU HD12 H 1 0.861 0.04 . 2 . . . . A 86 LEU HD12 . 30444 1 1000 . 1 1 86 86 LEU HD13 H 1 0.861 0.04 . 2 . . . . A 86 LEU HD13 . 30444 1 1001 . 1 1 86 86 LEU HD21 H 1 0.845 0.04 . 2 . . . . A 86 LEU HD21 . 30444 1 1002 . 1 1 86 86 LEU HD22 H 1 0.845 0.04 . 2 . . . . A 86 LEU HD22 . 30444 1 1003 . 1 1 86 86 LEU HD23 H 1 0.845 0.04 . 2 . . . . A 86 LEU HD23 . 30444 1 1004 . 1 1 86 86 LEU C C 13 179.648 0.40 . 1 . . . . A 86 LEU C . 30444 1 1005 . 1 1 86 86 LEU CA C 13 58.378 0.40 . 1 . . . . A 86 LEU CA . 30444 1 1006 . 1 1 86 86 LEU CB C 13 41.391 0.40 . 1 . . . . A 86 LEU CB . 30444 1 1007 . 1 1 86 86 LEU CG C 13 26.922 0.40 . 1 . . . . A 86 LEU CG . 30444 1 1008 . 1 1 86 86 LEU CD1 C 13 24.975 0.40 . 2 . . . . A 86 LEU CD1 . 30444 1 1009 . 1 1 86 86 LEU CD2 C 13 23.619 0.40 . 2 . . . . A 86 LEU CD2 . 30444 1 1010 . 1 1 86 86 LEU N N 15 119.254 0.40 . 1 . . . . A 86 LEU N . 30444 1 1011 . 1 1 87 87 SER H H 1 7.662 0.04 . 1 . . . . A 87 SER H . 30444 1 1012 . 1 1 87 87 SER HA H 1 4.235 0.04 . 1 . . . . A 87 SER HA . 30444 1 1013 . 1 1 87 87 SER HB2 H 1 4.029 0.04 . 2 . . . . A 87 SER HB2 . 30444 1 1014 . 1 1 87 87 SER HB3 H 1 4.029 0.04 . 2 . . . . A 87 SER HB3 . 30444 1 1015 . 1 1 87 87 SER C C 13 176.494 0.40 . 1 . . . . A 87 SER C . 30444 1 1016 . 1 1 87 87 SER CA C 13 61.225 0.40 . 1 . . . . A 87 SER CA . 30444 1 1017 . 1 1 87 87 SER CB C 13 63.014 0.40 . 1 . . . . A 87 SER CB . 30444 1 1018 . 1 1 87 87 SER N N 15 113.886 0.40 . 1 . . . . A 87 SER N . 30444 1 1019 . 1 1 88 88 CYS H H 1 7.567 0.04 . 1 . . . . A 88 CYS H . 30444 1 1020 . 1 1 88 88 CYS HA H 1 4.184 0.04 . 1 . . . . A 88 CYS HA . 30444 1 1021 . 1 1 88 88 CYS HB2 H 1 2.454 0.04 . 2 . . . . A 88 CYS HB2 . 30444 1 1022 . 1 1 88 88 CYS HB3 H 1 2.894 0.04 . 2 . . . . A 88 CYS HB3 . 30444 1 1023 . 1 1 88 88 CYS C C 13 176.385 0.40 . 1 . . . . A 88 CYS C . 30444 1 1024 . 1 1 88 88 CYS CA C 13 62.077 0.40 . 1 . . . . A 88 CYS CA . 30444 1 1025 . 1 1 88 88 CYS CB C 13 28.011 0.40 . 1 . . . . A 88 CYS CB . 30444 1 1026 . 1 1 88 88 CYS N N 15 118.829 0.40 . 1 . . . . A 88 CYS N . 30444 1 1027 . 1 1 89 89 LEU H H 1 7.738 0.04 . 1 . . . . A 89 LEU H . 30444 1 1028 . 1 1 89 89 LEU HA H 1 4.292 0.04 . 1 . . . . A 89 LEU HA . 30444 1 1029 . 1 1 89 89 LEU HB2 H 1 1.543 0.04 . 2 . . . . A 89 LEU HB2 . 30444 1 1030 . 1 1 89 89 LEU HB3 H 1 1.659 0.04 . 2 . . . . A 89 LEU HB3 . 30444 1 1031 . 1 1 89 89 LEU HG H 1 1.614 0.04 . 1 . . . . A 89 LEU HG . 30444 1 1032 . 1 1 89 89 LEU HD11 H 1 0.799 0.04 . 2 . . . . A 89 LEU HD11 . 30444 1 1033 . 1 1 89 89 LEU HD12 H 1 0.799 0.04 . 2 . . . . A 89 LEU HD12 . 30444 1 1034 . 1 1 89 89 LEU HD13 H 1 0.799 0.04 . 2 . . . . A 89 LEU HD13 . 30444 1 1035 . 1 1 89 89 LEU HD21 H 1 0.758 0.04 . 2 . . . . A 89 LEU HD21 . 30444 1 1036 . 1 1 89 89 LEU HD22 H 1 0.758 0.04 . 2 . . . . A 89 LEU HD22 . 30444 1 1037 . 1 1 89 89 LEU HD23 H 1 0.758 0.04 . 2 . . . . A 89 LEU HD23 . 30444 1 1038 . 1 1 89 89 LEU C C 13 177.352 0.40 . 1 . . . . A 89 LEU C . 30444 1 1039 . 1 1 89 89 LEU CA C 13 55.512 0.40 . 1 . . . . A 89 LEU CA . 30444 1 1040 . 1 1 89 89 LEU CB C 13 42.338 0.40 . 1 . . . . A 89 LEU CB . 30444 1 1041 . 1 1 89 89 LEU CG C 13 26.642 0.40 . 1 . . . . A 89 LEU CG . 30444 1 1042 . 1 1 89 89 LEU CD1 C 13 25.735 0.40 . 2 . . . . A 89 LEU CD1 . 30444 1 1043 . 1 1 89 89 LEU CD2 C 13 22.593 0.40 . 2 . . . . A 89 LEU CD2 . 30444 1 1044 . 1 1 89 89 LEU N N 15 119.075 0.40 . 1 . . . . A 89 LEU N . 30444 1 1045 . 1 1 90 90 ARG H H 1 7.795 0.04 . 1 . . . . A 90 ARG H . 30444 1 1046 . 1 1 90 90 ARG HA H 1 4.201 0.04 . 1 . . . . A 90 ARG HA . 30444 1 1047 . 1 1 90 90 ARG HB2 H 1 1.875 0.04 . 2 . . . . A 90 ARG HB2 . 30444 1 1048 . 1 1 90 90 ARG HB3 H 1 1.875 0.04 . 2 . . . . A 90 ARG HB3 . 30444 1 1049 . 1 1 90 90 ARG C C 13 176.170 0.40 . 1 . . . . A 90 ARG C . 30444 1 1050 . 1 1 90 90 ARG CA C 13 57.002 0.40 . 1 . . . . A 90 ARG CA . 30444 1 1051 . 1 1 90 90 ARG CB C 13 29.921 0.40 . 1 . . . . A 90 ARG CB . 30444 1 1052 . 1 1 90 90 ARG N N 15 119.095 0.40 . 1 . . . . A 90 ARG N . 30444 1 1053 . 1 1 91 91 LYS H H 1 8.022 0.04 . 1 . . . . A 91 LYS H . 30444 1 1054 . 1 1 91 91 LYS C C 13 176.900 0.40 . 1 . . . . A 91 LYS C . 30444 1 1055 . 1 1 91 91 LYS N N 15 121.282 0.40 . 1 . . . . A 91 LYS N . 30444 1 1056 . 1 1 96 96 PRO HA H 1 4.360 0.04 . 1 . . . . A 96 PRO HA . 30444 1 1057 . 1 1 96 96 PRO HB2 H 1 1.849 0.04 . 2 . . . . A 96 PRO HB2 . 30444 1 1058 . 1 1 96 96 PRO HB3 H 1 2.210 0.04 . 2 . . . . A 96 PRO HB3 . 30444 1 1059 . 1 1 96 96 PRO HG2 H 1 2.014 0.04 . 2 . . . . A 96 PRO HG2 . 30444 1 1060 . 1 1 96 96 PRO HG3 H 1 2.014 0.04 . 2 . . . . A 96 PRO HG3 . 30444 1 1061 . 1 1 96 96 PRO HD2 H 1 3.593 0.04 . 2 . . . . A 96 PRO HD2 . 30444 1 1062 . 1 1 96 96 PRO HD3 H 1 3.813 0.04 . 2 . . . . A 96 PRO HD3 . 30444 1 1063 . 1 1 96 96 PRO C C 13 176.508 0.40 . 1 . . . . A 96 PRO C . 30444 1 1064 . 1 1 96 96 PRO CA C 13 63.292 0.40 . 1 . . . . A 96 PRO CA . 30444 1 1065 . 1 1 96 96 PRO CB C 13 32.075 0.40 . 1 . . . . A 96 PRO CB . 30444 1 1066 . 1 1 96 96 PRO CG C 13 27.517 0.40 . 1 . . . . A 96 PRO CG . 30444 1 1067 . 1 1 96 96 PRO CD C 13 50.685 0.40 . 1 . . . . A 96 PRO CD . 30444 1 1068 . 1 1 97 97 TYR H H 1 8.106 0.04 . 1 . . . . A 97 TYR H . 30444 1 1069 . 1 1 97 97 TYR HA H 1 4.605 0.04 . 1 . . . . A 97 TYR HA . 30444 1 1070 . 1 1 97 97 TYR HB2 H 1 3.025 0.04 . 2 . . . . A 97 TYR HB2 . 30444 1 1071 . 1 1 97 97 TYR HB3 H 1 3.130 0.04 . 2 . . . . A 97 TYR HB3 . 30444 1 1072 . 1 1 97 97 TYR HD1 H 1 7.133 0.04 . 3 . . . . A 97 TYR HD1 . 30444 1 1073 . 1 1 97 97 TYR HD2 H 1 7.133 0.04 . 3 . . . . A 97 TYR HD2 . 30444 1 1074 . 1 1 97 97 TYR C C 13 175.772 0.40 . 1 . . . . A 97 TYR C . 30444 1 1075 . 1 1 97 97 TYR CA C 13 57.881 0.40 . 1 . . . . A 97 TYR CA . 30444 1 1076 . 1 1 97 97 TYR CB C 13 38.414 0.40 . 1 . . . . A 97 TYR CB . 30444 1 1077 . 1 1 97 97 TYR CD1 C 13 133.512 0.40 . 3 . . . . A 97 TYR CD1 . 30444 1 1078 . 1 1 97 97 TYR N N 15 120.145 0.40 . 1 . . . . A 97 TYR N . 30444 1 1079 . 1 1 98 98 THR H H 1 7.981 0.04 . 1 . . . . A 98 THR H . 30444 1 1080 . 1 1 98 98 THR HA H 1 4.311 0.04 . 1 . . . . A 98 THR HA . 30444 1 1081 . 1 1 98 98 THR HB H 1 4.075 0.04 . 1 . . . . A 98 THR HB . 30444 1 1082 . 1 1 98 98 THR HG21 H 1 1.123 0.04 . 1 . . . . A 98 THR HG21 . 30444 1 1083 . 1 1 98 98 THR HG22 H 1 1.123 0.04 . 1 . . . . A 98 THR HG22 . 30444 1 1084 . 1 1 98 98 THR HG23 H 1 1.123 0.04 . 1 . . . . A 98 THR HG23 . 30444 1 1085 . 1 1 98 98 THR C C 13 173.765 0.40 . 1 . . . . A 98 THR C . 30444 1 1086 . 1 1 98 98 THR CA C 13 61.604 0.40 . 1 . . . . A 98 THR CA . 30444 1 1087 . 1 1 98 98 THR CB C 13 70.254 0.40 . 1 . . . . A 98 THR CB . 30444 1 1088 . 1 1 98 98 THR CG2 C 13 21.665 0.40 . 1 . . . . A 98 THR CG2 . 30444 1 1089 . 1 1 98 98 THR N N 15 117.025 0.40 . 1 . . . . A 98 THR N . 30444 1 1090 . 1 1 99 99 ILE H H 1 8.075 0.04 . 1 . . . . A 99 ILE H . 30444 1 1091 . 1 1 99 99 ILE HA H 1 4.128 0.04 . 1 . . . . A 99 ILE HA . 30444 1 1092 . 1 1 99 99 ILE HB H 1 1.823 0.04 . 1 . . . . A 99 ILE HB . 30444 1 1093 . 1 1 99 99 ILE HG12 H 1 1.181 0.04 . 2 . . . . A 99 ILE HG12 . 30444 1 1094 . 1 1 99 99 ILE HG13 H 1 1.466 0.04 . 2 . . . . A 99 ILE HG13 . 30444 1 1095 . 1 1 99 99 ILE HG21 H 1 0.885 0.04 . 1 . . . . A 99 ILE HG21 . 30444 1 1096 . 1 1 99 99 ILE HG22 H 1 0.885 0.04 . 1 . . . . A 99 ILE HG22 . 30444 1 1097 . 1 1 99 99 ILE HG23 H 1 0.885 0.04 . 1 . . . . A 99 ILE HG23 . 30444 1 1098 . 1 1 99 99 ILE HD11 H 1 0.864 0.04 . 1 . . . . A 99 ILE HD11 . 30444 1 1099 . 1 1 99 99 ILE HD12 H 1 0.864 0.04 . 1 . . . . A 99 ILE HD12 . 30444 1 1100 . 1 1 99 99 ILE HD13 H 1 0.864 0.04 . 1 . . . . A 99 ILE HD13 . 30444 1 1101 . 1 1 99 99 ILE C C 13 175.935 0.40 . 1 . . . . A 99 ILE C . 30444 1 1102 . 1 1 99 99 ILE CA C 13 61.121 0.40 . 1 . . . . A 99 ILE CA . 30444 1 1103 . 1 1 99 99 ILE CB C 13 38.863 0.40 . 1 . . . . A 99 ILE CB . 30444 1 1104 . 1 1 99 99 ILE CG1 C 13 27.491 0.40 . 1 . . . . A 99 ILE CG1 . 30444 1 1105 . 1 1 99 99 ILE CG2 C 13 17.579 0.40 . 1 . . . . A 99 ILE CG2 . 30444 1 1106 . 1 1 99 99 ILE CD1 C 13 13.153 0.40 . 1 . . . . A 99 ILE CD1 . 30444 1 1107 . 1 1 99 99 ILE N N 15 123.727 0.40 . 1 . . . . A 99 ILE N . 30444 1 1108 . 1 1 100 100 LYS H H 1 8.329 0.04 . 1 . . . . A 100 LYS H . 30444 1 1109 . 1 1 100 100 LYS HA H 1 4.320 0.04 . 1 . . . . A 100 LYS HA . 30444 1 1110 . 1 1 100 100 LYS HB2 H 1 1.712 0.04 . 2 . . . . A 100 LYS HB2 . 30444 1 1111 . 1 1 100 100 LYS HB3 H 1 1.790 0.04 . 2 . . . . A 100 LYS HB3 . 30444 1 1112 . 1 1 100 100 LYS HG2 H 1 1.386 0.04 . 2 . . . . A 100 LYS HG2 . 30444 1 1113 . 1 1 100 100 LYS HG3 H 1 1.440 0.04 . 2 . . . . A 100 LYS HG3 . 30444 1 1114 . 1 1 100 100 LYS HD2 H 1 1.669 0.04 . 2 . . . . A 100 LYS HD2 . 30444 1 1115 . 1 1 100 100 LYS HD3 H 1 1.669 0.04 . 2 . . . . A 100 LYS HD3 . 30444 1 1116 . 1 1 100 100 LYS HE2 H 1 3.013 0.04 . 2 . . . . A 100 LYS HE2 . 30444 1 1117 . 1 1 100 100 LYS HE3 H 1 3.013 0.04 . 2 . . . . A 100 LYS HE3 . 30444 1 1118 . 1 1 100 100 LYS C C 13 176.290 0.40 . 1 . . . . A 100 LYS C . 30444 1 1119 . 1 1 100 100 LYS CA C 13 56.081 0.40 . 1 . . . . A 100 LYS CA . 30444 1 1120 . 1 1 100 100 LYS CB C 13 33.239 0.40 . 1 . . . . A 100 LYS CB . 30444 1 1121 . 1 1 100 100 LYS CG C 13 24.971 0.40 . 1 . . . . A 100 LYS CG . 30444 1 1122 . 1 1 100 100 LYS CD C 13 29.128 0.40 . 1 . . . . A 100 LYS CD . 30444 1 1123 . 1 1 100 100 LYS CE C 13 42.338 0.40 . 1 . . . . A 100 LYS CE . 30444 1 1124 . 1 1 100 100 LYS N N 15 126.314 0.40 . 1 . . . . A 100 LYS N . 30444 1 1125 . 1 1 101 101 LYS H H 1 8.190 0.04 . 1 . . . . A 101 LYS H . 30444 1 1126 . 1 1 101 101 LYS HA H 1 4.568 0.04 . 1 . . . . A 101 LYS HA . 30444 1 1127 . 1 1 101 101 LYS HB2 H 1 1.711 0.04 . 2 . . . . A 101 LYS HB2 . 30444 1 1128 . 1 1 101 101 LYS HB3 H 1 1.809 0.04 . 2 . . . . A 101 LYS HB3 . 30444 1 1129 . 1 1 101 101 LYS HG2 H 1 1.431 0.04 . 2 . . . . A 101 LYS HG2 . 30444 1 1130 . 1 1 101 101 LYS HG3 H 1 1.465 0.04 . 2 . . . . A 101 LYS HG3 . 30444 1 1131 . 1 1 101 101 LYS HD2 H 1 1.684 0.04 . 2 . . . . A 101 LYS HD2 . 30444 1 1132 . 1 1 101 101 LYS HD3 H 1 1.684 0.04 . 2 . . . . A 101 LYS HD3 . 30444 1 1133 . 1 1 101 101 LYS HE2 H 1 3.012 0.04 . 2 . . . . A 101 LYS HE2 . 30444 1 1134 . 1 1 101 101 LYS HE3 H 1 3.012 0.04 . 2 . . . . A 101 LYS HE3 . 30444 1 1135 . 1 1 101 101 LYS CA C 13 54.265 0.40 . 1 . . . . A 101 LYS CA . 30444 1 1136 . 1 1 101 101 LYS CB C 13 32.595 0.40 . 1 . . . . A 101 LYS CB . 30444 1 1137 . 1 1 101 101 LYS CG C 13 24.724 0.40 . 1 . . . . A 101 LYS CG . 30444 1 1138 . 1 1 101 101 LYS CD C 13 29.330 0.40 . 1 . . . . A 101 LYS CD . 30444 1 1139 . 1 1 101 101 LYS CE C 13 42.574 0.40 . 1 . . . . A 101 LYS CE . 30444 1 1140 . 1 1 101 101 LYS N N 15 123.434 0.40 . 1 . . . . A 101 LYS N . 30444 1 1141 . 1 1 102 102 PRO HA H 1 4.478 0.04 . 1 . . . . A 102 PRO HA . 30444 1 1142 . 1 1 102 102 PRO HB2 H 1 1.899 0.04 . 2 . . . . A 102 PRO HB2 . 30444 1 1143 . 1 1 102 102 PRO HB3 H 1 2.278 0.04 . 2 . . . . A 102 PRO HB3 . 30444 1 1144 . 1 1 102 102 PRO HG2 H 1 1.997 0.04 . 2 . . . . A 102 PRO HG2 . 30444 1 1145 . 1 1 102 102 PRO HG3 H 1 1.997 0.04 . 2 . . . . A 102 PRO HG3 . 30444 1 1146 . 1 1 102 102 PRO HD2 H 1 3.635 0.04 . 2 . . . . A 102 PRO HD2 . 30444 1 1147 . 1 1 102 102 PRO HD3 H 1 3.821 0.04 . 2 . . . . A 102 PRO HD3 . 30444 1 1148 . 1 1 102 102 PRO C C 13 176.929 0.40 . 1 . . . . A 102 PRO C . 30444 1 1149 . 1 1 102 102 PRO CA C 13 63.106 0.40 . 1 . . . . A 102 PRO CA . 30444 1 1150 . 1 1 102 102 PRO CB C 13 32.092 0.40 . 1 . . . . A 102 PRO CB . 30444 1 1151 . 1 1 102 102 PRO CG C 13 27.529 0.40 . 1 . . . . A 102 PRO CG . 30444 1 1152 . 1 1 102 102 PRO CD C 13 50.939 0.40 . 1 . . . . A 102 PRO CD . 30444 1 1153 . 1 1 103 103 VAL H H 1 8.244 0.04 . 1 . . . . A 103 VAL H . 30444 1 1154 . 1 1 103 103 VAL HA H 1 4.114 0.04 . 1 . . . . A 103 VAL HA . 30444 1 1155 . 1 1 103 103 VAL HB H 1 2.087 0.04 . 1 . . . . A 103 VAL HB . 30444 1 1156 . 1 1 103 103 VAL HG11 H 1 0.966 0.04 . 2 . . . . A 103 VAL HG11 . 30444 1 1157 . 1 1 103 103 VAL HG12 H 1 0.966 0.04 . 2 . . . . A 103 VAL HG12 . 30444 1 1158 . 1 1 103 103 VAL HG13 H 1 0.966 0.04 . 2 . . . . A 103 VAL HG13 . 30444 1 1159 . 1 1 103 103 VAL HG21 H 1 0.977 0.04 . 2 . . . . A 103 VAL HG21 . 30444 1 1160 . 1 1 103 103 VAL HG22 H 1 0.977 0.04 . 2 . . . . A 103 VAL HG22 . 30444 1 1161 . 1 1 103 103 VAL HG23 H 1 0.977 0.04 . 2 . . . . A 103 VAL HG23 . 30444 1 1162 . 1 1 103 103 VAL C C 13 176.801 0.40 . 1 . . . . A 103 VAL C . 30444 1 1163 . 1 1 103 103 VAL CA C 13 62.506 0.40 . 1 . . . . A 103 VAL CA . 30444 1 1164 . 1 1 103 103 VAL CB C 13 32.887 0.40 . 1 . . . . A 103 VAL CB . 30444 1 1165 . 1 1 103 103 VAL CG1 C 13 21.272 0.40 . 2 . . . . A 103 VAL CG1 . 30444 1 1166 . 1 1 103 103 VAL CG2 C 13 20.650 0.40 . 2 . . . . A 103 VAL CG2 . 30444 1 1167 . 1 1 103 103 VAL N N 15 120.581 0.40 . 1 . . . . A 103 VAL N . 30444 1 1168 . 1 1 104 104 GLY H H 1 8.405 0.04 . 1 . . . . A 104 GLY H . 30444 1 1169 . 1 1 104 104 GLY HA2 H 1 3.889 0.04 . 2 . . . . A 104 GLY HA2 . 30444 1 1170 . 1 1 104 104 GLY HA3 H 1 4.004 0.04 . 2 . . . . A 104 GLY HA3 . 30444 1 1171 . 1 1 104 104 GLY C C 13 173.906 0.40 . 1 . . . . A 104 GLY C . 30444 1 1172 . 1 1 104 104 GLY CA C 13 45.325 0.40 . 1 . . . . A 104 GLY CA . 30444 1 1173 . 1 1 104 104 GLY N N 15 112.390 0.40 . 1 . . . . A 104 GLY N . 30444 1 1174 . 1 1 105 105 LYS H H 1 8.111 0.04 . 1 . . . . A 105 LYS H . 30444 1 1175 . 1 1 105 105 LYS HA H 1 4.516 0.04 . 1 . . . . A 105 LYS HA . 30444 1 1176 . 1 1 105 105 LYS HB2 H 1 1.682 0.04 . 2 . . . . A 105 LYS HB2 . 30444 1 1177 . 1 1 105 105 LYS HB3 H 1 1.787 0.04 . 2 . . . . A 105 LYS HB3 . 30444 1 1178 . 1 1 105 105 LYS HG2 H 1 1.430 0.04 . 2 . . . . A 105 LYS HG2 . 30444 1 1179 . 1 1 105 105 LYS HG3 H 1 1.493 0.04 . 2 . . . . A 105 LYS HG3 . 30444 1 1180 . 1 1 105 105 LYS HD2 H 1 1.606 0.04 . 2 . . . . A 105 LYS HD2 . 30444 1 1181 . 1 1 105 105 LYS HD3 H 1 1.606 0.04 . 2 . . . . A 105 LYS HD3 . 30444 1 1182 . 1 1 105 105 LYS HE2 H 1 2.975 0.04 . 2 . . . . A 105 LYS HE2 . 30444 1 1183 . 1 1 105 105 LYS HE3 H 1 2.975 0.04 . 2 . . . . A 105 LYS HE3 . 30444 1 1184 . 1 1 105 105 LYS C C 13 177.254 0.40 . 1 . . . . A 105 LYS C . 30444 1 1185 . 1 1 105 105 LYS CA C 13 56.111 0.40 . 1 . . . . A 105 LYS CA . 30444 1 1186 . 1 1 105 105 LYS CB C 13 34.280 0.40 . 1 . . . . A 105 LYS CB . 30444 1 1187 . 1 1 105 105 LYS CG C 13 25.398 0.40 . 1 . . . . A 105 LYS CG . 30444 1 1188 . 1 1 105 105 LYS CD C 13 29.465 0.40 . 1 . . . . A 105 LYS CD . 30444 1 1189 . 1 1 105 105 LYS CE C 13 42.226 0.40 . 1 . . . . A 105 LYS CE . 30444 1 1190 . 1 1 105 105 LYS N N 15 121.105 0.40 . 1 . . . . A 105 LYS N . 30444 1 1191 . 1 1 106 106 THR H H 1 8.612 0.04 . 1 . . . . A 106 THR H . 30444 1 1192 . 1 1 106 106 THR HA H 1 4.401 0.04 . 1 . . . . A 106 THR HA . 30444 1 1193 . 1 1 106 106 THR HB H 1 4.631 0.04 . 1 . . . . A 106 THR HB . 30444 1 1194 . 1 1 106 106 THR HG21 H 1 1.321 0.04 . 1 . . . . A 106 THR HG21 . 30444 1 1195 . 1 1 106 106 THR HG22 H 1 1.321 0.04 . 1 . . . . A 106 THR HG22 . 30444 1 1196 . 1 1 106 106 THR HG23 H 1 1.321 0.04 . 1 . . . . A 106 THR HG23 . 30444 1 1197 . 1 1 106 106 THR C C 13 175.286 0.40 . 1 . . . . A 106 THR C . 30444 1 1198 . 1 1 106 106 THR CA C 13 61.316 0.40 . 1 . . . . A 106 THR CA . 30444 1 1199 . 1 1 106 106 THR CB C 13 71.119 0.40 . 1 . . . . A 106 THR CB . 30444 1 1200 . 1 1 106 106 THR CG2 C 13 21.946 0.40 . 1 . . . . A 106 THR CG2 . 30444 1 1201 . 1 1 106 106 THR N N 15 114.289 0.40 . 1 . . . . A 106 THR N . 30444 1 1202 . 1 1 107 107 LYS H H 1 8.724 0.04 . 1 . . . . A 107 LYS H . 30444 1 1203 . 1 1 107 107 LYS HA H 1 4.055 0.04 . 1 . . . . A 107 LYS HA . 30444 1 1204 . 1 1 107 107 LYS HB2 H 1 1.853 0.04 . 2 . . . . A 107 LYS HB2 . 30444 1 1205 . 1 1 107 107 LYS HB3 H 1 1.890 0.04 . 2 . . . . A 107 LYS HB3 . 30444 1 1206 . 1 1 107 107 LYS HG2 H 1 1.458 0.04 . 2 . . . . A 107 LYS HG2 . 30444 1 1207 . 1 1 107 107 LYS HG3 H 1 1.458 0.04 . 2 . . . . A 107 LYS HG3 . 30444 1 1208 . 1 1 107 107 LYS HD2 H 1 1.705 0.04 . 2 . . . . A 107 LYS HD2 . 30444 1 1209 . 1 1 107 107 LYS HD3 H 1 1.705 0.04 . 2 . . . . A 107 LYS HD3 . 30444 1 1210 . 1 1 107 107 LYS HE2 H 1 3.034 0.04 . 2 . . . . A 107 LYS HE2 . 30444 1 1211 . 1 1 107 107 LYS HE3 H 1 3.034 0.04 . 2 . . . . A 107 LYS HE3 . 30444 1 1212 . 1 1 107 107 LYS C C 13 178.973 0.40 . 1 . . . . A 107 LYS C . 30444 1 1213 . 1 1 107 107 LYS CA C 13 59.204 0.40 . 1 . . . . A 107 LYS CA . 30444 1 1214 . 1 1 107 107 LYS CB C 13 32.303 0.40 . 1 . . . . A 107 LYS CB . 30444 1 1215 . 1 1 107 107 LYS CG C 13 25.001 0.40 . 1 . . . . A 107 LYS CG . 30444 1 1216 . 1 1 107 107 LYS CD C 13 29.247 0.40 . 1 . . . . A 107 LYS CD . 30444 1 1217 . 1 1 107 107 LYS CE C 13 42.301 0.40 . 1 . . . . A 107 LYS CE . 30444 1 1218 . 1 1 107 107 LYS N N 15 121.467 0.40 . 1 . . . . A 107 LYS N . 30444 1 1219 . 1 1 108 108 GLU H H 1 8.674 0.04 . 1 . . . . A 108 GLU H . 30444 1 1220 . 1 1 108 108 GLU HA H 1 4.121 0.04 . 1 . . . . A 108 GLU HA . 30444 1 1221 . 1 1 108 108 GLU HB2 H 1 1.976 0.04 . 2 . . . . A 108 GLU HB2 . 30444 1 1222 . 1 1 108 108 GLU HB3 H 1 2.057 0.04 . 2 . . . . A 108 GLU HB3 . 30444 1 1223 . 1 1 108 108 GLU HG2 H 1 2.281 0.04 . 2 . . . . A 108 GLU HG2 . 30444 1 1224 . 1 1 108 108 GLU HG3 H 1 2.377 0.04 . 2 . . . . A 108 GLU HG3 . 30444 1 1225 . 1 1 108 108 GLU C C 13 178.714 0.40 . 1 . . . . A 108 GLU C . 30444 1 1226 . 1 1 108 108 GLU CA C 13 59.421 0.40 . 1 . . . . A 108 GLU CA . 30444 1 1227 . 1 1 108 108 GLU CB C 13 29.663 0.40 . 1 . . . . A 108 GLU CB . 30444 1 1228 . 1 1 108 108 GLU CG C 13 36.931 0.40 . 1 . . . . A 108 GLU CG . 30444 1 1229 . 1 1 108 108 GLU N N 15 120.358 0.40 . 1 . . . . A 108 GLU N . 30444 1 1230 . 1 1 109 109 GLU H H 1 7.994 0.04 . 1 . . . . A 109 GLU H . 30444 1 1231 . 1 1 109 109 GLU HA H 1 4.059 0.04 . 1 . . . . A 109 GLU HA . 30444 1 1232 . 1 1 109 109 GLU HB2 H 1 1.973 0.04 . 2 . . . . A 109 GLU HB2 . 30444 1 1233 . 1 1 109 109 GLU HB3 H 1 2.225 0.04 . 2 . . . . A 109 GLU HB3 . 30444 1 1234 . 1 1 109 109 GLU HG2 H 1 2.272 0.04 . 2 . . . . A 109 GLU HG2 . 30444 1 1235 . 1 1 109 109 GLU HG3 H 1 2.272 0.04 . 2 . . . . A 109 GLU HG3 . 30444 1 1236 . 1 1 109 109 GLU C C 13 179.232 0.40 . 1 . . . . A 109 GLU C . 30444 1 1237 . 1 1 109 109 GLU CA C 13 58.877 0.40 . 1 . . . . A 109 GLU CA . 30444 1 1238 . 1 1 109 109 GLU CB C 13 30.135 0.40 . 1 . . . . A 109 GLU CB . 30444 1 1239 . 1 1 109 109 GLU CG C 13 36.594 0.40 . 1 . . . . A 109 GLU CG . 30444 1 1240 . 1 1 109 109 GLU N N 15 121.296 0.40 . 1 . . . . A 109 GLU N . 30444 1 1241 . 1 1 110 110 LEU H H 1 8.317 0.04 . 1 . . . . A 110 LEU H . 30444 1 1242 . 1 1 110 110 LEU HA H 1 4.100 0.04 . 1 . . . . A 110 LEU HA . 30444 1 1243 . 1 1 110 110 LEU HB2 H 1 1.531 0.04 . 2 . . . . A 110 LEU HB2 . 30444 1 1244 . 1 1 110 110 LEU HB3 H 1 1.757 0.04 . 2 . . . . A 110 LEU HB3 . 30444 1 1245 . 1 1 110 110 LEU HG H 1 1.631 0.04 . 1 . . . . A 110 LEU HG . 30444 1 1246 . 1 1 110 110 LEU HD11 H 1 0.864 0.04 . 2 . . . . A 110 LEU HD11 . 30444 1 1247 . 1 1 110 110 LEU HD12 H 1 0.864 0.04 . 2 . . . . A 110 LEU HD12 . 30444 1 1248 . 1 1 110 110 LEU HD13 H 1 0.864 0.04 . 2 . . . . A 110 LEU HD13 . 30444 1 1249 . 1 1 110 110 LEU HD21 H 1 0.874 0.04 . 2 . . . . A 110 LEU HD21 . 30444 1 1250 . 1 1 110 110 LEU HD22 H 1 0.874 0.04 . 2 . . . . A 110 LEU HD22 . 30444 1 1251 . 1 1 110 110 LEU HD23 H 1 0.874 0.04 . 2 . . . . A 110 LEU HD23 . 30444 1 1252 . 1 1 110 110 LEU C C 13 178.982 0.40 . 1 . . . . A 110 LEU C . 30444 1 1253 . 1 1 110 110 LEU CA C 13 57.312 0.40 . 1 . . . . A 110 LEU CA . 30444 1 1254 . 1 1 110 110 LEU CB C 13 41.951 0.40 . 1 . . . . A 110 LEU CB . 30444 1 1255 . 1 1 110 110 LEU CG C 13 26.925 0.40 . 1 . . . . A 110 LEU CG . 30444 1 1256 . 1 1 110 110 LEU CD1 C 13 25.069 0.40 . 2 . . . . A 110 LEU CD1 . 30444 1 1257 . 1 1 110 110 LEU CD2 C 13 23.522 0.40 . 2 . . . . A 110 LEU CD2 . 30444 1 1258 . 1 1 110 110 LEU N N 15 121.283 0.40 . 1 . . . . A 110 LEU N . 30444 1 1259 . 1 1 111 111 ALA H H 1 8.031 0.04 . 1 . . . . A 111 ALA H . 30444 1 1260 . 1 1 111 111 ALA HA H 1 4.181 0.04 . 1 . . . . A 111 ALA HA . 30444 1 1261 . 1 1 111 111 ALA HB1 H 1 1.485 0.04 . 1 . . . . A 111 ALA HB1 . 30444 1 1262 . 1 1 111 111 ALA HB2 H 1 1.485 0.04 . 1 . . . . A 111 ALA HB2 . 30444 1 1263 . 1 1 111 111 ALA HB3 H 1 1.485 0.04 . 1 . . . . A 111 ALA HB3 . 30444 1 1264 . 1 1 111 111 ALA C C 13 180.158 0.40 . 1 . . . . A 111 ALA C . 30444 1 1265 . 1 1 111 111 ALA CA C 13 54.492 0.40 . 1 . . . . A 111 ALA CA . 30444 1 1266 . 1 1 111 111 ALA CB C 13 18.302 0.40 . 1 . . . . A 111 ALA CB . 30444 1 1267 . 1 1 111 111 ALA N N 15 122.485 0.40 . 1 . . . . A 111 ALA N . 30444 1 1268 . 1 1 112 112 LEU H H 1 7.861 0.04 . 1 . . . . A 112 LEU H . 30444 1 1269 . 1 1 112 112 LEU HA H 1 4.171 0.04 . 1 . . . . A 112 LEU HA . 30444 1 1270 . 1 1 112 112 LEU HB2 H 1 1.680 0.04 . 2 . . . . A 112 LEU HB2 . 30444 1 1271 . 1 1 112 112 LEU HB3 H 1 1.781 0.04 . 2 . . . . A 112 LEU HB3 . 30444 1 1272 . 1 1 112 112 LEU HG H 1 1.730 0.04 . 1 . . . . A 112 LEU HG . 30444 1 1273 . 1 1 112 112 LEU HD11 H 1 0.942 0.04 . 2 . . . . A 112 LEU HD11 . 30444 1 1274 . 1 1 112 112 LEU HD12 H 1 0.942 0.04 . 2 . . . . A 112 LEU HD12 . 30444 1 1275 . 1 1 112 112 LEU HD13 H 1 0.942 0.04 . 2 . . . . A 112 LEU HD13 . 30444 1 1276 . 1 1 112 112 LEU HD21 H 1 0.898 0.04 . 2 . . . . A 112 LEU HD21 . 30444 1 1277 . 1 1 112 112 LEU HD22 H 1 0.898 0.04 . 2 . . . . A 112 LEU HD22 . 30444 1 1278 . 1 1 112 112 LEU HD23 H 1 0.898 0.04 . 2 . . . . A 112 LEU HD23 . 30444 1 1279 . 1 1 112 112 LEU C C 13 178.966 0.40 . 1 . . . . A 112 LEU C . 30444 1 1280 . 1 1 112 112 LEU CA C 13 57.234 0.40 . 1 . . . . A 112 LEU CA . 30444 1 1281 . 1 1 112 112 LEU CB C 13 41.990 0.40 . 1 . . . . A 112 LEU CB . 30444 1 1282 . 1 1 112 112 LEU CG C 13 27.023 0.40 . 1 . . . . A 112 LEU CG . 30444 1 1283 . 1 1 112 112 LEU CD1 C 13 24.702 0.40 . 2 . . . . A 112 LEU CD1 . 30444 1 1284 . 1 1 112 112 LEU CD2 C 13 23.921 0.40 . 2 . . . . A 112 LEU CD2 . 30444 1 1285 . 1 1 112 112 LEU N N 15 120.374 0.40 . 1 . . . . A 112 LEU N . 30444 1 1286 . 1 1 113 113 GLU H H 1 8.051 0.04 . 1 . . . . A 113 GLU H . 30444 1 1287 . 1 1 113 113 GLU HA H 1 4.069 0.04 . 1 . . . . A 113 GLU HA . 30444 1 1288 . 1 1 113 113 GLU HB2 H 1 2.107 0.04 . 2 . . . . A 113 GLU HB2 . 30444 1 1289 . 1 1 113 113 GLU HB3 H 1 2.107 0.04 . 2 . . . . A 113 GLU HB3 . 30444 1 1290 . 1 1 113 113 GLU HG2 H 1 2.272 0.04 . 2 . . . . A 113 GLU HG2 . 30444 1 1291 . 1 1 113 113 GLU HG3 H 1 2.372 0.04 . 2 . . . . A 113 GLU HG3 . 30444 1 1292 . 1 1 113 113 GLU C C 13 178.660 0.40 . 1 . . . . A 113 GLU C . 30444 1 1293 . 1 1 113 113 GLU CA C 13 59.028 0.40 . 1 . . . . A 113 GLU CA . 30444 1 1294 . 1 1 113 113 GLU CB C 13 29.701 0.40 . 1 . . . . A 113 GLU CB . 30444 1 1295 . 1 1 113 113 GLU CG C 13 36.630 0.40 . 1 . . . . A 113 GLU CG . 30444 1 1296 . 1 1 113 113 GLU N N 15 119.798 0.40 . 1 . . . . A 113 GLU N . 30444 1 1297 . 1 1 114 114 LYS H H 1 7.947 0.04 . 1 . . . . A 114 LYS H . 30444 1 1298 . 1 1 114 114 LYS HA H 1 4.164 0.04 . 1 . . . . A 114 LYS HA . 30444 1 1299 . 1 1 114 114 LYS HB2 H 1 1.907 0.04 . 2 . . . . A 114 LYS HB2 . 30444 1 1300 . 1 1 114 114 LYS HB3 H 1 1.907 0.04 . 2 . . . . A 114 LYS HB3 . 30444 1 1301 . 1 1 114 114 LYS HG2 H 1 1.450 0.04 . 2 . . . . A 114 LYS HG2 . 30444 1 1302 . 1 1 114 114 LYS HG3 H 1 1.450 0.04 . 2 . . . . A 114 LYS HG3 . 30444 1 1303 . 1 1 114 114 LYS HD2 H 1 1.679 0.04 . 2 . . . . A 114 LYS HD2 . 30444 1 1304 . 1 1 114 114 LYS HD3 H 1 1.679 0.04 . 2 . . . . A 114 LYS HD3 . 30444 1 1305 . 1 1 114 114 LYS HE2 H 1 2.978 0.04 . 2 . . . . A 114 LYS HE2 . 30444 1 1306 . 1 1 114 114 LYS HE3 H 1 2.978 0.04 . 2 . . . . A 114 LYS HE3 . 30444 1 1307 . 1 1 114 114 LYS C C 13 178.316 0.40 . 1 . . . . A 114 LYS C . 30444 1 1308 . 1 1 114 114 LYS CA C 13 58.148 0.40 . 1 . . . . A 114 LYS CA . 30444 1 1309 . 1 1 114 114 LYS CB C 13 32.191 0.40 . 1 . . . . A 114 LYS CB . 30444 1 1310 . 1 1 114 114 LYS CG C 13 24.492 0.40 . 1 . . . . A 114 LYS CG . 30444 1 1311 . 1 1 114 114 LYS CD C 13 29.217 0.40 . 1 . . . . A 114 LYS CD . 30444 1 1312 . 1 1 114 114 LYS CE C 13 42.189 0.40 . 1 . . . . A 114 LYS CE . 30444 1 1313 . 1 1 114 114 LYS N N 15 119.972 0.40 . 1 . . . . A 114 LYS N . 30444 1 1314 . 1 1 115 115 LYS H H 1 7.946 0.04 . 1 . . . . A 115 LYS H . 30444 1 1315 . 1 1 115 115 LYS HA H 1 4.111 0.04 . 1 . . . . A 115 LYS HA . 30444 1 1316 . 1 1 115 115 LYS HB2 H 1 1.946 0.04 . 2 . . . . A 115 LYS HB2 . 30444 1 1317 . 1 1 115 115 LYS HB3 H 1 1.946 0.04 . 2 . . . . A 115 LYS HB3 . 30444 1 1318 . 1 1 115 115 LYS HG2 H 1 1.421 0.04 . 2 . . . . A 115 LYS HG2 . 30444 1 1319 . 1 1 115 115 LYS HG3 H 1 1.472 0.04 . 2 . . . . A 115 LYS HG3 . 30444 1 1320 . 1 1 115 115 LYS HD2 H 1 1.692 0.04 . 2 . . . . A 115 LYS HD2 . 30444 1 1321 . 1 1 115 115 LYS HD3 H 1 1.692 0.04 . 2 . . . . A 115 LYS HD3 . 30444 1 1322 . 1 1 115 115 LYS HE2 H 1 2.995 0.04 . 2 . . . . A 115 LYS HE2 . 30444 1 1323 . 1 1 115 115 LYS HE3 H 1 2.995 0.04 . 2 . . . . A 115 LYS HE3 . 30444 1 1324 . 1 1 115 115 LYS C C 13 178.300 0.40 . 1 . . . . A 115 LYS C . 30444 1 1325 . 1 1 115 115 LYS CA C 13 58.911 0.40 . 1 . . . . A 115 LYS CA . 30444 1 1326 . 1 1 115 115 LYS CB C 13 32.711 0.40 . 1 . . . . A 115 LYS CB . 30444 1 1327 . 1 1 115 115 LYS CG C 13 24.846 0.40 . 1 . . . . A 115 LYS CG . 30444 1 1328 . 1 1 115 115 LYS CD C 13 29.105 0.40 . 1 . . . . A 115 LYS CD . 30444 1 1329 . 1 1 115 115 LYS CE C 13 42.204 0.40 . 1 . . . . A 115 LYS CE . 30444 1 1330 . 1 1 115 115 LYS N N 15 120.856 0.40 . 1 . . . . A 115 LYS N . 30444 1 1331 . 1 1 116 116 ARG H H 1 8.167 0.04 . 1 . . . . A 116 ARG H . 30444 1 1332 . 1 1 116 116 ARG HA H 1 4.164 0.04 . 1 . . . . A 116 ARG HA . 30444 1 1333 . 1 1 116 116 ARG HB2 H 1 1.918 0.04 . 2 . . . . A 116 ARG HB2 . 30444 1 1334 . 1 1 116 116 ARG HB3 H 1 1.918 0.04 . 2 . . . . A 116 ARG HB3 . 30444 1 1335 . 1 1 116 116 ARG HG2 H 1 1.668 0.04 . 2 . . . . A 116 ARG HG2 . 30444 1 1336 . 1 1 116 116 ARG HG3 H 1 1.775 0.04 . 2 . . . . A 116 ARG HG3 . 30444 1 1337 . 1 1 116 116 ARG HD2 H 1 3.208 0.04 . 2 . . . . A 116 ARG HD2 . 30444 1 1338 . 1 1 116 116 ARG HD3 H 1 3.208 0.04 . 2 . . . . A 116 ARG HD3 . 30444 1 1339 . 1 1 116 116 ARG C C 13 178.400 0.40 . 1 . . . . A 116 ARG C . 30444 1 1340 . 1 1 116 116 ARG CA C 13 58.331 0.40 . 1 . . . . A 116 ARG CA . 30444 1 1341 . 1 1 116 116 ARG CB C 13 30.386 0.40 . 1 . . . . A 116 ARG CB . 30444 1 1342 . 1 1 116 116 ARG CG C 13 27.524 0.40 . 1 . . . . A 116 ARG CG . 30444 1 1343 . 1 1 116 116 ARG N N 15 119.561 0.40 . 1 . . . . A 116 ARG N . 30444 1 1344 . 1 1 117 117 GLU H H 1 8.088 0.04 . 1 . . . . A 117 GLU H . 30444 1 1345 . 1 1 117 117 GLU HA H 1 4.113 0.04 . 1 . . . . A 117 GLU HA . 30444 1 1346 . 1 1 117 117 GLU HB2 H 1 2.107 0.04 . 2 . . . . A 117 GLU HB2 . 30444 1 1347 . 1 1 117 117 GLU HB3 H 1 2.107 0.04 . 2 . . . . A 117 GLU HB3 . 30444 1 1348 . 1 1 117 117 GLU HG2 H 1 2.251 0.04 . 2 . . . . A 117 GLU HG2 . 30444 1 1349 . 1 1 117 117 GLU HG3 H 1 2.381 0.04 . 2 . . . . A 117 GLU HG3 . 30444 1 1350 . 1 1 117 117 GLU C C 13 178.333 0.40 . 1 . . . . A 117 GLU C . 30444 1 1351 . 1 1 117 117 GLU CA C 13 58.500 0.40 . 1 . . . . A 117 GLU CA . 30444 1 1352 . 1 1 117 117 GLU CB C 13 29.472 0.40 . 1 . . . . A 117 GLU CB . 30444 1 1353 . 1 1 117 117 GLU CG C 13 36.422 0.40 . 1 . . . . A 117 GLU CG . 30444 1 1354 . 1 1 117 117 GLU N N 15 120.318 0.40 . 1 . . . . A 117 GLU N . 30444 1 1355 . 1 1 118 118 LEU H H 1 7.993 0.04 . 1 . . . . A 118 LEU H . 30444 1 1356 . 1 1 118 118 LEU HA H 1 4.161 0.04 . 1 . . . . A 118 LEU HA . 30444 1 1357 . 1 1 118 118 LEU HB2 H 1 1.674 0.04 . 2 . . . . A 118 LEU HB2 . 30444 1 1358 . 1 1 118 118 LEU HB3 H 1 1.784 0.04 . 2 . . . . A 118 LEU HB3 . 30444 1 1359 . 1 1 118 118 LEU HG H 1 1.729 0.04 . 1 . . . . A 118 LEU HG . 30444 1 1360 . 1 1 118 118 LEU HD11 H 1 0.941 0.04 . 2 . . . . A 118 LEU HD11 . 30444 1 1361 . 1 1 118 118 LEU HD12 H 1 0.941 0.04 . 2 . . . . A 118 LEU HD12 . 30444 1 1362 . 1 1 118 118 LEU HD13 H 1 0.941 0.04 . 2 . . . . A 118 LEU HD13 . 30444 1 1363 . 1 1 118 118 LEU HD21 H 1 0.903 0.04 . 2 . . . . A 118 LEU HD21 . 30444 1 1364 . 1 1 118 118 LEU HD22 H 1 0.903 0.04 . 2 . . . . A 118 LEU HD22 . 30444 1 1365 . 1 1 118 118 LEU HD23 H 1 0.903 0.04 . 2 . . . . A 118 LEU HD23 . 30444 1 1366 . 1 1 118 118 LEU C C 13 178.782 0.40 . 1 . . . . A 118 LEU C . 30444 1 1367 . 1 1 118 118 LEU CA C 13 57.069 0.40 . 1 . . . . A 118 LEU CA . 30444 1 1368 . 1 1 118 118 LEU CB C 13 42.125 0.40 . 1 . . . . A 118 LEU CB . 30444 1 1369 . 1 1 118 118 LEU CG C 13 27.016 0.40 . 1 . . . . A 118 LEU CG . 30444 1 1370 . 1 1 118 118 LEU CD1 C 13 24.746 0.40 . 2 . . . . A 118 LEU CD1 . 30444 1 1371 . 1 1 118 118 LEU CD2 C 13 23.870 0.40 . 2 . . . . A 118 LEU CD2 . 30444 1 1372 . 1 1 118 118 LEU N N 15 121.059 0.40 . 1 . . . . A 118 LEU N . 30444 1 1373 . 1 1 119 119 GLU H H 1 8.107 0.04 . 1 . . . . A 119 GLU H . 30444 1 1374 . 1 1 119 119 GLU HA H 1 4.083 0.04 . 1 . . . . A 119 GLU HA . 30444 1 1375 . 1 1 119 119 GLU HB2 H 1 2.070 0.04 . 2 . . . . A 119 GLU HB2 . 30444 1 1376 . 1 1 119 119 GLU HB3 H 1 2.070 0.04 . 2 . . . . A 119 GLU HB3 . 30444 1 1377 . 1 1 119 119 GLU HG2 H 1 2.246 0.04 . 2 . . . . A 119 GLU HG2 . 30444 1 1378 . 1 1 119 119 GLU HG3 H 1 2.425 0.04 . 2 . . . . A 119 GLU HG3 . 30444 1 1379 . 1 1 119 119 GLU C C 13 178.085 0.40 . 1 . . . . A 119 GLU C . 30444 1 1380 . 1 1 119 119 GLU CA C 13 58.279 0.40 . 1 . . . . A 119 GLU CA . 30444 1 1381 . 1 1 119 119 GLU CB C 13 29.824 0.40 . 1 . . . . A 119 GLU CB . 30444 1 1382 . 1 1 119 119 GLU CG C 13 36.501 0.40 . 1 . . . . A 119 GLU CG . 30444 1 1383 . 1 1 119 119 GLU N N 15 119.231 0.40 . 1 . . . . A 119 GLU N . 30444 1 1384 . 1 1 120 120 LYS H H 1 7.919 0.04 . 1 . . . . A 120 LYS H . 30444 1 1385 . 1 1 120 120 LYS HA H 1 4.155 0.04 . 1 . . . . A 120 LYS HA . 30444 1 1386 . 1 1 120 120 LYS HB2 H 1 1.888 0.04 . 2 . . . . A 120 LYS HB2 . 30444 1 1387 . 1 1 120 120 LYS HB3 H 1 1.888 0.04 . 2 . . . . A 120 LYS HB3 . 30444 1 1388 . 1 1 120 120 LYS HG2 H 1 1.533 0.04 . 2 . . . . A 120 LYS HG2 . 30444 1 1389 . 1 1 120 120 LYS HG3 H 1 1.533 0.04 . 2 . . . . A 120 LYS HG3 . 30444 1 1390 . 1 1 120 120 LYS HD2 H 1 1.685 0.04 . 2 . . . . A 120 LYS HD2 . 30444 1 1391 . 1 1 120 120 LYS HD3 H 1 1.685 0.04 . 2 . . . . A 120 LYS HD3 . 30444 1 1392 . 1 1 120 120 LYS HE2 H 1 2.991 0.04 . 2 . . . . A 120 LYS HE2 . 30444 1 1393 . 1 1 120 120 LYS HE3 H 1 2.991 0.04 . 2 . . . . A 120 LYS HE3 . 30444 1 1394 . 1 1 120 120 LYS C C 13 177.720 0.40 . 1 . . . . A 120 LYS C . 30444 1 1395 . 1 1 120 120 LYS CA C 13 57.871 0.40 . 1 . . . . A 120 LYS CA . 30444 1 1396 . 1 1 120 120 LYS CB C 13 32.610 0.40 . 1 . . . . A 120 LYS CB . 30444 1 1397 . 1 1 120 120 LYS CG C 13 24.964 0.40 . 1 . . . . A 120 LYS CG . 30444 1 1398 . 1 1 120 120 LYS CD C 13 29.165 0.40 . 1 . . . . A 120 LYS CD . 30444 1 1399 . 1 1 120 120 LYS CE C 13 42.275 0.40 . 1 . . . . A 120 LYS CE . 30444 1 1400 . 1 1 120 120 LYS N N 15 120.149 0.40 . 1 . . . . A 120 LYS N . 30444 1 1401 . 1 1 121 121 ARG H H 1 8.002 0.04 . 1 . . . . A 121 ARG H . 30444 1 1402 . 1 1 121 121 ARG HA H 1 4.257 0.04 . 1 . . . . A 121 ARG HA . 30444 1 1403 . 1 1 121 121 ARG HB2 H 1 1.911 0.04 . 2 . . . . A 121 ARG HB2 . 30444 1 1404 . 1 1 121 121 ARG HB3 H 1 1.911 0.04 . 2 . . . . A 121 ARG HB3 . 30444 1 1405 . 1 1 121 121 ARG HG2 H 1 1.663 0.04 . 2 . . . . A 121 ARG HG2 . 30444 1 1406 . 1 1 121 121 ARG HG3 H 1 1.721 0.04 . 2 . . . . A 121 ARG HG3 . 30444 1 1407 . 1 1 121 121 ARG HD2 H 1 3.203 0.04 . 2 . . . . A 121 ARG HD2 . 30444 1 1408 . 1 1 121 121 ARG HD3 H 1 3.203 0.04 . 2 . . . . A 121 ARG HD3 . 30444 1 1409 . 1 1 121 121 ARG C C 13 177.448 0.40 . 1 . . . . A 121 ARG C . 30444 1 1410 . 1 1 121 121 ARG CA C 13 57.354 0.40 . 1 . . . . A 121 ARG CA . 30444 1 1411 . 1 1 121 121 ARG CB C 13 30.502 0.40 . 1 . . . . A 121 ARG CB . 30444 1 1412 . 1 1 121 121 ARG CG C 13 27.242 0.40 . 1 . . . . A 121 ARG CG . 30444 1 1413 . 1 1 121 121 ARG CD C 13 43.559 0.40 . 1 . . . . A 121 ARG CD . 30444 1 1414 . 1 1 121 121 ARG N N 15 119.984 0.40 . 1 . . . . A 121 ARG N . 30444 1 1415 . 1 1 122 122 LEU H H 1 8.047 0.04 . 1 . . . . A 122 LEU H . 30444 1 1416 . 1 1 122 122 LEU HA H 1 4.278 0.04 . 1 . . . . A 122 LEU HA . 30444 1 1417 . 1 1 122 122 LEU HB2 H 1 1.593 0.04 . 2 . . . . A 122 LEU HB2 . 30444 1 1418 . 1 1 122 122 LEU HB3 H 1 1.743 0.04 . 2 . . . . A 122 LEU HB3 . 30444 1 1419 . 1 1 122 122 LEU HG H 1 1.706 0.04 . 1 . . . . A 122 LEU HG . 30444 1 1420 . 1 1 122 122 LEU HD11 H 1 0.919 0.04 . 2 . . . . A 122 LEU HD11 . 30444 1 1421 . 1 1 122 122 LEU HD12 H 1 0.919 0.04 . 2 . . . . A 122 LEU HD12 . 30444 1 1422 . 1 1 122 122 LEU HD13 H 1 0.919 0.04 . 2 . . . . A 122 LEU HD13 . 30444 1 1423 . 1 1 122 122 LEU HD21 H 1 0.871 0.04 . 2 . . . . A 122 LEU HD21 . 30444 1 1424 . 1 1 122 122 LEU HD22 H 1 0.871 0.04 . 2 . . . . A 122 LEU HD22 . 30444 1 1425 . 1 1 122 122 LEU HD23 H 1 0.871 0.04 . 2 . . . . A 122 LEU HD23 . 30444 1 1426 . 1 1 122 122 LEU C C 13 178.115 0.40 . 1 . . . . A 122 LEU C . 30444 1 1427 . 1 1 122 122 LEU CA C 13 56.058 0.40 . 1 . . . . A 122 LEU CA . 30444 1 1428 . 1 1 122 122 LEU CB C 13 41.941 0.40 . 1 . . . . A 122 LEU CB . 30444 1 1429 . 1 1 122 122 LEU CG C 13 26.993 0.40 . 1 . . . . A 122 LEU CG . 30444 1 1430 . 1 1 122 122 LEU CD1 C 13 25.124 0.40 . 2 . . . . A 122 LEU CD1 . 30444 1 1431 . 1 1 122 122 LEU CD2 C 13 23.330 0.40 . 2 . . . . A 122 LEU CD2 . 30444 1 1432 . 1 1 122 122 LEU N N 15 120.839 0.40 . 1 . . . . A 122 LEU N . 30444 1 1433 . 1 1 123 123 GLN H H 1 8.035 0.04 . 1 . . . . A 123 GLN H . 30444 1 1434 . 1 1 123 123 GLN HA H 1 4.256 0.04 . 1 . . . . A 123 GLN HA . 30444 1 1435 . 1 1 123 123 GLN HB2 H 1 2.090 0.04 . 2 . . . . A 123 GLN HB2 . 30444 1 1436 . 1 1 123 123 GLN HB3 H 1 2.090 0.04 . 2 . . . . A 123 GLN HB3 . 30444 1 1437 . 1 1 123 123 GLN C C 13 176.280 0.40 . 1 . . . . A 123 GLN C . 30444 1 1438 . 1 1 123 123 GLN CA C 13 56.594 0.40 . 1 . . . . A 123 GLN CA . 30444 1 1439 . 1 1 123 123 GLN CB C 13 29.356 0.40 . 1 . . . . A 123 GLN CB . 30444 1 1440 . 1 1 123 123 GLN N N 15 119.350 0.40 . 1 . . . . A 123 GLN N . 30444 1 1441 . 1 1 124 124 ASP H H 1 8.192 0.04 . 1 . . . . A 124 ASP H . 30444 1 1442 . 1 1 124 124 ASP HA H 1 4.635 0.04 . 1 . . . . A 124 ASP HA . 30444 1 1443 . 1 1 124 124 ASP HB2 H 1 2.684 0.04 . 2 . . . . A 124 ASP HB2 . 30444 1 1444 . 1 1 124 124 ASP HB3 H 1 2.757 0.04 . 2 . . . . A 124 ASP HB3 . 30444 1 1445 . 1 1 124 124 ASP C C 13 176.930 0.40 . 1 . . . . A 124 ASP C . 30444 1 1446 . 1 1 124 124 ASP CA C 13 54.740 0.40 . 1 . . . . A 124 ASP CA . 30444 1 1447 . 1 1 124 124 ASP CB C 13 41.174 0.40 . 1 . . . . A 124 ASP CB . 30444 1 1448 . 1 1 124 124 ASP N N 15 121.041 0.40 . 1 . . . . A 124 ASP N . 30444 1 1449 . 1 1 125 125 VAL H H 1 8.042 0.04 . 1 . . . . A 125 VAL H . 30444 1 1450 . 1 1 125 125 VAL HA H 1 4.182 0.04 . 1 . . . . A 125 VAL HA . 30444 1 1451 . 1 1 125 125 VAL HB H 1 2.209 0.04 . 1 . . . . A 125 VAL HB . 30444 1 1452 . 1 1 125 125 VAL HG11 H 1 0.952 0.04 . 2 . . . . A 125 VAL HG11 . 30444 1 1453 . 1 1 125 125 VAL HG12 H 1 0.952 0.04 . 2 . . . . A 125 VAL HG12 . 30444 1 1454 . 1 1 125 125 VAL HG13 H 1 0.952 0.04 . 2 . . . . A 125 VAL HG13 . 30444 1 1455 . 1 1 125 125 VAL HG21 H 1 0.955 0.04 . 2 . . . . A 125 VAL HG21 . 30444 1 1456 . 1 1 125 125 VAL HG22 H 1 0.955 0.04 . 2 . . . . A 125 VAL HG22 . 30444 1 1457 . 1 1 125 125 VAL HG23 H 1 0.955 0.04 . 2 . . . . A 125 VAL HG23 . 30444 1 1458 . 1 1 125 125 VAL C C 13 176.864 0.40 . 1 . . . . A 125 VAL C . 30444 1 1459 . 1 1 125 125 VAL CA C 13 62.746 0.40 . 1 . . . . A 125 VAL CA . 30444 1 1460 . 1 1 125 125 VAL CB C 13 32.363 0.40 . 1 . . . . A 125 VAL CB . 30444 1 1461 . 1 1 125 125 VAL CG1 C 13 21.339 0.40 . 2 . . . . A 125 VAL CG1 . 30444 1 1462 . 1 1 125 125 VAL CG2 C 13 20.268 0.40 . 2 . . . . A 125 VAL CG2 . 30444 1 1463 . 1 1 125 125 VAL N N 15 119.350 0.40 . 1 . . . . A 125 VAL N . 30444 1 1464 . 1 1 126 126 SER H H 1 8.322 0.04 . 1 . . . . A 126 SER H . 30444 1 1465 . 1 1 126 126 SER HA H 1 4.405 0.04 . 1 . . . . A 126 SER HA . 30444 1 1466 . 1 1 126 126 SER HB2 H 1 3.922 0.04 . 2 . . . . A 126 SER HB2 . 30444 1 1467 . 1 1 126 126 SER HB3 H 1 3.922 0.04 . 2 . . . . A 126 SER HB3 . 30444 1 1468 . 1 1 126 126 SER C C 13 175.582 0.40 . 1 . . . . A 126 SER C . 30444 1 1469 . 1 1 126 126 SER CA C 13 59.351 0.40 . 1 . . . . A 126 SER CA . 30444 1 1470 . 1 1 126 126 SER CB C 13 63.934 0.40 . 1 . . . . A 126 SER CB . 30444 1 1471 . 1 1 126 126 SER N N 15 118.251 0.40 . 1 . . . . A 126 SER N . 30444 1 1472 . 1 1 127 127 GLY H H 1 8.325 0.04 . 1 . . . . A 127 GLY H . 30444 1 1473 . 1 1 127 127 GLY HA2 H 1 3.975 0.04 . 2 . . . . A 127 GLY HA2 . 30444 1 1474 . 1 1 127 127 GLY HA3 H 1 3.975 0.04 . 2 . . . . A 127 GLY HA3 . 30444 1 1475 . 1 1 127 127 GLY C C 13 174.410 0.40 . 1 . . . . A 127 GLY C . 30444 1 1476 . 1 1 127 127 GLY CA C 13 45.709 0.40 . 1 . . . . A 127 GLY CA . 30444 1 1477 . 1 1 127 127 GLY N N 15 110.642 0.40 . 1 . . . . A 127 GLY N . 30444 1 1478 . 1 1 128 128 GLN H H 1 8.103 0.04 . 1 . . . . A 128 GLN H . 30444 1 1479 . 1 1 128 128 GLN HA H 1 4.323 0.04 . 1 . . . . A 128 GLN HA . 30444 1 1480 . 1 1 128 128 GLN HB2 H 1 1.973 0.04 . 2 . . . . A 128 GLN HB2 . 30444 1 1481 . 1 1 128 128 GLN HB3 H 1 2.117 0.04 . 2 . . . . A 128 GLN HB3 . 30444 1 1482 . 1 1 128 128 GLN HG2 H 1 2.349 0.04 . 2 . . . . A 128 GLN HG2 . 30444 1 1483 . 1 1 128 128 GLN HG3 H 1 2.349 0.04 . 2 . . . . A 128 GLN HG3 . 30444 1 1484 . 1 1 128 128 GLN C C 13 176.249 0.40 . 1 . . . . A 128 GLN C . 30444 1 1485 . 1 1 128 128 GLN CA C 13 55.768 0.40 . 1 . . . . A 128 GLN CA . 30444 1 1486 . 1 1 128 128 GLN CB C 13 29.394 0.40 . 1 . . . . A 128 GLN CB . 30444 1 1487 . 1 1 128 128 GLN CG C 13 33.936 0.40 . 1 . . . . A 128 GLN CG . 30444 1 1488 . 1 1 128 128 GLN N N 15 119.536 0.40 . 1 . . . . A 128 GLN N . 30444 1 1489 . 1 1 129 129 LEU H H 1 8.253 0.04 . 1 . . . . A 129 LEU H . 30444 1 1490 . 1 1 129 129 LEU HA H 1 4.332 0.04 . 1 . . . . A 129 LEU HA . 30444 1 1491 . 1 1 129 129 LEU HB2 H 1 1.597 0.04 . 2 . . . . A 129 LEU HB2 . 30444 1 1492 . 1 1 129 129 LEU HB3 H 1 1.597 0.04 . 2 . . . . A 129 LEU HB3 . 30444 1 1493 . 1 1 129 129 LEU HG H 1 1.616 0.04 . 1 . . . . A 129 LEU HG . 30444 1 1494 . 1 1 129 129 LEU HD11 H 1 0.927 0.04 . 2 . . . . A 129 LEU HD11 . 30444 1 1495 . 1 1 129 129 LEU HD12 H 1 0.927 0.04 . 2 . . . . A 129 LEU HD12 . 30444 1 1496 . 1 1 129 129 LEU HD13 H 1 0.927 0.04 . 2 . . . . A 129 LEU HD13 . 30444 1 1497 . 1 1 129 129 LEU HD21 H 1 0.859 0.04 . 2 . . . . A 129 LEU HD21 . 30444 1 1498 . 1 1 129 129 LEU HD22 H 1 0.859 0.04 . 2 . . . . A 129 LEU HD22 . 30444 1 1499 . 1 1 129 129 LEU HD23 H 1 0.859 0.04 . 2 . . . . A 129 LEU HD23 . 30444 1 1500 . 1 1 129 129 LEU C C 13 177.255 0.40 . 1 . . . . A 129 LEU C . 30444 1 1501 . 1 1 129 129 LEU CA C 13 55.478 0.40 . 1 . . . . A 129 LEU CA . 30444 1 1502 . 1 1 129 129 LEU CB C 13 42.210 0.40 . 1 . . . . A 129 LEU CB . 30444 1 1503 . 1 1 129 129 LEU CG C 13 26.986 0.40 . 1 . . . . A 129 LEU CG . 30444 1 1504 . 1 1 129 129 LEU CD1 C 13 24.900 0.40 . 2 . . . . A 129 LEU CD1 . 30444 1 1505 . 1 1 129 129 LEU CD2 C 13 23.593 0.40 . 2 . . . . A 129 LEU CD2 . 30444 1 1506 . 1 1 129 129 LEU N N 15 122.732 0.40 . 1 . . . . A 129 LEU N . 30444 1 1507 . 1 1 130 130 ASN H H 1 8.400 0.04 . 1 . . . . A 130 ASN H . 30444 1 1508 . 1 1 130 130 ASN N N 15 119.252 0.40 . 1 . . . . A 130 ASN N . 30444 1 stop_ save_