data_27358 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27358 _Entry.Title ; DNA binding protein inhibitor ID2 in 8M urea pH2.3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-01-15 _Entry.Accession_date 2018-01-15 _Entry.Last_release_date 2018-01-16 _Entry.Original_release_date 2018-01-16 _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 'Backbone assignment of full-length ID2 under denaturing conditions (8M urea pH2.3)' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Cornelia Roschger . . . . 27358 2 Mario Schubert . . . . 27358 3 Chiara Cabrele . . . . 27358 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27358 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 382 27358 '15N chemical shifts' 124 27358 '1H chemical shifts' 129 27358 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 . . 2018-04-18 . original BMRB . 27358 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27358 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.3390/ijms19041105 _Citation.PubMed_ID 29642431 _Citation.Full_citation . _Citation.Title ; The Recombinant Inhibitor of DNA Binding Id2 Forms Multimeric Structures via the Helix-Loop-Helix Domain and the Nuclear Export Signal ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Int. J. Mol. Sci.' _Citation.Journal_name_full 'International journal of molecular sciences' _Citation.Journal_volume 19 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1422-0067 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first E1105 _Citation.Page_last E1105 _Citation.Year 2018 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Cornelia Roschger . . . . 27358 1 2 Mario Schubert . . . . 27358 1 3 Christof Regl . . . . 27358 1 4 Ancuela Andosch . . . . 27358 1 5 Augusto 'Marquez Macheda' . . . . 27358 1 6 Thomas Berger . . . . 27358 1 7 Christian Huber . G. . . 27358 1 8 Ursula Lutz-Meindl . . . . 27358 1 9 Chiara Cabrele . . . . 27358 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID helix-loop-helix 27358 1 'inhibitor of DNA binding' 27358 1 'intrinsic disorder' 27358 1 'protein oligomerization' 27358 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27358 _Assembly.ID 1 _Assembly.Name Id2 _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 Id2 1 $Id2 A . yes denatured no no . . . 27358 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Id2 _Entity.Sf_category entity _Entity.Sf_framecode Id2 _Entity.Entry_ID 27358 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Id2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKAFSPVRSVRKNSLSDHSL GISRSKTPVDDPMSLLYNMN DCYSKLKELVPSIPQNKKVS KMEILQHVIDYILDLQIALD SHPTIVSLHHQRPGQNQASR TPLTTLNTDISILSLQASEF PSELMSNDSKALCG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 134 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Both cysteines in the sequence are oxidized with beta-mercaptoethanol (-S-CH2-CH2-OH) according to mass spectrometry.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . yes SP Q02363 . 'ID2_HUMAN DNA-binding protein inhibitor ID2' . . . . . . . . . . . . . . 27358 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'DNA binding inhibitor' 27358 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 . MET . 27358 1 2 . LYS . 27358 1 3 . ALA . 27358 1 4 . PHE . 27358 1 5 . SER . 27358 1 6 . PRO . 27358 1 7 . VAL . 27358 1 8 . ARG . 27358 1 9 . SER . 27358 1 10 . VAL . 27358 1 11 . ARG . 27358 1 12 . LYS . 27358 1 13 . ASN . 27358 1 14 . SER . 27358 1 15 . LEU . 27358 1 16 . SER . 27358 1 17 . ASP . 27358 1 18 . HIS . 27358 1 19 . SER . 27358 1 20 . LEU . 27358 1 21 . GLY . 27358 1 22 . ILE . 27358 1 23 . SER . 27358 1 24 . ARG . 27358 1 25 . SER . 27358 1 26 . LYS . 27358 1 27 . THR . 27358 1 28 . PRO . 27358 1 29 . VAL . 27358 1 30 . ASP . 27358 1 31 . ASP . 27358 1 32 . PRO . 27358 1 33 . MET . 27358 1 34 . SER . 27358 1 35 . LEU . 27358 1 36 . LEU . 27358 1 37 . TYR . 27358 1 38 . ASN . 27358 1 39 . MET . 27358 1 40 . ASN . 27358 1 41 . ASP . 27358 1 42 . CYS . 27358 1 43 . TYR . 27358 1 44 . SER . 27358 1 45 . LYS . 27358 1 46 . LEU . 27358 1 47 . LYS . 27358 1 48 . GLU . 27358 1 49 . LEU . 27358 1 50 . VAL . 27358 1 51 . PRO . 27358 1 52 . SER . 27358 1 53 . ILE . 27358 1 54 . PRO . 27358 1 55 . GLN . 27358 1 56 . ASN . 27358 1 57 . LYS . 27358 1 58 . LYS . 27358 1 59 . VAL . 27358 1 60 . SER . 27358 1 61 . LYS . 27358 1 62 . MET . 27358 1 63 . GLU . 27358 1 64 . ILE . 27358 1 65 . LEU . 27358 1 66 . GLN . 27358 1 67 . HIS . 27358 1 68 . VAL . 27358 1 69 . ILE . 27358 1 70 . ASP . 27358 1 71 . TYR . 27358 1 72 . ILE . 27358 1 73 . LEU . 27358 1 74 . ASP . 27358 1 75 . LEU . 27358 1 76 . GLN . 27358 1 77 . ILE . 27358 1 78 . ALA . 27358 1 79 . LEU . 27358 1 80 . ASP . 27358 1 81 . SER . 27358 1 82 . HIS . 27358 1 83 . PRO . 27358 1 84 . THR . 27358 1 85 . ILE . 27358 1 86 . VAL . 27358 1 87 . SER . 27358 1 88 . LEU . 27358 1 89 . HIS . 27358 1 90 . HIS . 27358 1 91 . GLN . 27358 1 92 . ARG . 27358 1 93 . PRO . 27358 1 94 . GLY . 27358 1 95 . GLN . 27358 1 96 . ASN . 27358 1 97 . GLN . 27358 1 98 . ALA . 27358 1 99 . SER . 27358 1 100 . ARG . 27358 1 101 . THR . 27358 1 102 . PRO . 27358 1 103 . LEU . 27358 1 104 . THR . 27358 1 105 . THR . 27358 1 106 . LEU . 27358 1 107 . ASN . 27358 1 108 . THR . 27358 1 109 . ASP . 27358 1 110 . ILE . 27358 1 111 . SER . 27358 1 112 . ILE . 27358 1 113 . LEU . 27358 1 114 . SER . 27358 1 115 . LEU . 27358 1 116 . GLN . 27358 1 117 . ALA . 27358 1 118 . SER . 27358 1 119 . GLU . 27358 1 120 . PHE . 27358 1 121 . PRO . 27358 1 122 . SER . 27358 1 123 . GLU . 27358 1 124 . LEU . 27358 1 125 . MET . 27358 1 126 . SER . 27358 1 127 . ASN . 27358 1 128 . ASP . 27358 1 129 . SER . 27358 1 130 . LYS . 27358 1 131 . ALA . 27358 1 132 . LEU . 27358 1 133 . CYS . 27358 1 134 . GLY . 27358 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27358 1 . LYS 2 2 27358 1 . ALA 3 3 27358 1 . PHE 4 4 27358 1 . SER 5 5 27358 1 . PRO 6 6 27358 1 . VAL 7 7 27358 1 . ARG 8 8 27358 1 . SER 9 9 27358 1 . VAL 10 10 27358 1 . ARG 11 11 27358 1 . LYS 12 12 27358 1 . ASN 13 13 27358 1 . SER 14 14 27358 1 . LEU 15 15 27358 1 . SER 16 16 27358 1 . ASP 17 17 27358 1 . HIS 18 18 27358 1 . SER 19 19 27358 1 . LEU 20 20 27358 1 . GLY 21 21 27358 1 . ILE 22 22 27358 1 . SER 23 23 27358 1 . ARG 24 24 27358 1 . SER 25 25 27358 1 . LYS 26 26 27358 1 . THR 27 27 27358 1 . PRO 28 28 27358 1 . VAL 29 29 27358 1 . ASP 30 30 27358 1 . ASP 31 31 27358 1 . PRO 32 32 27358 1 . MET 33 33 27358 1 . SER 34 34 27358 1 . LEU 35 35 27358 1 . LEU 36 36 27358 1 . TYR 37 37 27358 1 . ASN 38 38 27358 1 . MET 39 39 27358 1 . ASN 40 40 27358 1 . ASP 41 41 27358 1 . CYS 42 42 27358 1 . TYR 43 43 27358 1 . SER 44 44 27358 1 . LYS 45 45 27358 1 . LEU 46 46 27358 1 . LYS 47 47 27358 1 . GLU 48 48 27358 1 . LEU 49 49 27358 1 . VAL 50 50 27358 1 . PRO 51 51 27358 1 . SER 52 52 27358 1 . ILE 53 53 27358 1 . PRO 54 54 27358 1 . GLN 55 55 27358 1 . ASN 56 56 27358 1 . LYS 57 57 27358 1 . LYS 58 58 27358 1 . VAL 59 59 27358 1 . SER 60 60 27358 1 . LYS 61 61 27358 1 . MET 62 62 27358 1 . GLU 63 63 27358 1 . ILE 64 64 27358 1 . LEU 65 65 27358 1 . GLN 66 66 27358 1 . HIS 67 67 27358 1 . VAL 68 68 27358 1 . ILE 69 69 27358 1 . ASP 70 70 27358 1 . TYR 71 71 27358 1 . ILE 72 72 27358 1 . LEU 73 73 27358 1 . ASP 74 74 27358 1 . LEU 75 75 27358 1 . GLN 76 76 27358 1 . ILE 77 77 27358 1 . ALA 78 78 27358 1 . LEU 79 79 27358 1 . ASP 80 80 27358 1 . SER 81 81 27358 1 . HIS 82 82 27358 1 . PRO 83 83 27358 1 . THR 84 84 27358 1 . ILE 85 85 27358 1 . VAL 86 86 27358 1 . SER 87 87 27358 1 . LEU 88 88 27358 1 . HIS 89 89 27358 1 . HIS 90 90 27358 1 . GLN 91 91 27358 1 . ARG 92 92 27358 1 . PRO 93 93 27358 1 . GLY 94 94 27358 1 . GLN 95 95 27358 1 . ASN 96 96 27358 1 . GLN 97 97 27358 1 . ALA 98 98 27358 1 . SER 99 99 27358 1 . ARG 100 100 27358 1 . THR 101 101 27358 1 . PRO 102 102 27358 1 . LEU 103 103 27358 1 . THR 104 104 27358 1 . THR 105 105 27358 1 . LEU 106 106 27358 1 . ASN 107 107 27358 1 . THR 108 108 27358 1 . ASP 109 109 27358 1 . ILE 110 110 27358 1 . SER 111 111 27358 1 . ILE 112 112 27358 1 . LEU 113 113 27358 1 . SER 114 114 27358 1 . LEU 115 115 27358 1 . GLN 116 116 27358 1 . ALA 117 117 27358 1 . SER 118 118 27358 1 . GLU 119 119 27358 1 . PHE 120 120 27358 1 . PRO 121 121 27358 1 . SER 122 122 27358 1 . GLU 123 123 27358 1 . LEU 124 124 27358 1 . MET 125 125 27358 1 . SER 126 126 27358 1 . ASN 127 127 27358 1 . ASP 128 128 27358 1 . SER 129 129 27358 1 . LYS 130 130 27358 1 . ALA 131 131 27358 1 . LEU 132 132 27358 1 . CYS 133 133 27358 1 . GLY 134 134 27358 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 27358 _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 $Id2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27358 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 27358 _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 $Id2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET22b+ . . . 27358 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27358 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 Id2 '[U-99% 13C; U-99% 15N]' . . 1 $Id2 . . 0.74 . . mM . . . . 27358 1 2 urea 'natural abundance' . . . . . . 8 . . M . . . . 27358 1 3 chloride 'natural abundance' . . . . . . 180 . . mM . . . . 27358 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 27358 _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' 180 . mM 27358 1 pH 2.3 . pH 27358 1 pressure 1 . atm 27358 1 temperature 298 . K 27358 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27358 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27358 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27358 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27358 _Software.ID 2 _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 . . 27358 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27358 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27358 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Avance III HD' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27358 _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 spectrometer_1 Bruker Avance . 600 'Avance III HD' . . 27358 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 27358 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27358 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27358 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27358 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27358 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27358 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27358 1 7 '3D (H)NCANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27358 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27358 _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 0.00 na indirect 0.251449530 . . . . . 27358 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' . . . . 27358 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27358 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27358 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27358 1 2 '3D HNCA' . . . 27358 1 3 '3D HNCACB' . . . 27358 1 4 '3D CBCA(CO)NH' . . . 27358 1 5 '3D HNCO' . . . 27358 1 6 '3D HN(CA)CO' . . . 27358 1 7 '3D (H)NCANH' . . . 27358 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CA C 13 55.104 0.2 . 1 . . . . . 1 MET CA . 27358 1 2 . 1 1 1 1 MET CB C 13 33.049 0.2 . 1 . . . . . 1 MET CB . 27358 1 3 . 1 1 2 2 LYS H H 1 8.749 0.01 . 1 . . . . . 2 LYS H . 27358 1 4 . 1 1 2 2 LYS CA C 13 56.453 0.2 . 1 . . . . . 2 LYS CA . 27358 1 5 . 1 1 2 2 LYS CB C 13 33.317 0.2 . 1 . . . . . 2 LYS CB . 27358 1 6 . 1 1 2 2 LYS N N 15 125.124 0.2 . 1 . . . . . 2 LYS N . 27358 1 7 . 1 1 3 3 ALA H H 1 8.378 0.01 . 1 . . . . . 3 ALA H . 27358 1 8 . 1 1 3 3 ALA CA C 13 52.176 0.2 . 1 . . . . . 3 ALA CA . 27358 1 9 . 1 1 3 3 ALA CB C 13 19.435 0.2 . 1 . . . . . 3 ALA CB . 27358 1 10 . 1 1 3 3 ALA N N 15 126.268 0.2 . 1 . . . . . 3 ALA N . 27358 1 11 . 1 1 4 4 PHE H H 1 8.304 0.01 . 1 . . . . . 4 PHE H . 27358 1 12 . 1 1 4 4 PHE HB2 H 1 2.975 0.01 . 1 . . . . . 4 PHE QB . 27358 1 13 . 1 1 4 4 PHE HB3 H 1 2.975 0.01 . 1 . . . . . 4 PHE QB . 27358 1 14 . 1 1 4 4 PHE CA C 13 57.711 0.2 . 1 . . . . . 4 PHE CA . 27358 1 15 . 1 1 4 4 PHE CB C 13 39.904 0.2 . 1 . . . . . 4 PHE CB . 27358 1 16 . 1 1 4 4 PHE N N 15 120.603 0.2 . 1 . . . . . 4 PHE N . 27358 1 17 . 1 1 5 5 SER H H 1 8.200 0.01 . 1 . . . . . 5 SER H . 27358 1 18 . 1 1 5 5 SER CA C 13 55.822 0.2 . 1 . . . . . 5 SER CA . 27358 1 19 . 1 1 5 5 SER N N 15 119.515 0.2 . 1 . . . . . 5 SER N . 27358 1 20 . 1 1 6 6 PRO C C 13 176.579 0.2 . 1 . . . . . 6 PRO C . 27358 1 21 . 1 1 6 6 PRO CA C 13 63.048 0.2 . 1 . . . . . 6 PRO CA . 27358 1 22 . 1 1 6 6 PRO CB C 13 32.108 0.2 . 1 . . . . . 6 PRO CB . 27358 1 23 . 1 1 7 7 VAL H H 1 8.128 0.01 . 1 . . . . . 7 VAL H . 27358 1 24 . 1 1 7 7 VAL C C 13 176.134 0.2 . 1 . . . . . 7 VAL C . 27358 1 25 . 1 1 7 7 VAL CA C 13 62.371 0.2 . 1 . . . . . 7 VAL CA . 27358 1 26 . 1 1 7 7 VAL CB C 13 32.653 0.2 . 1 . . . . . 7 VAL CB . 27358 1 27 . 1 1 7 7 VAL N N 15 120.534 0.2 . 1 . . . . . 7 VAL N . 27358 1 28 . 1 1 8 8 ARG H H 1 8.380 0.01 . 1 . . . . . 8 ARG H . 27358 1 29 . 1 1 8 8 ARG C C 13 176.050 0.2 . 1 . . . . . 8 ARG C . 27358 1 30 . 1 1 8 8 ARG CA C 13 55.946 0.2 . 1 . . . . . 8 ARG CA . 27358 1 31 . 1 1 8 8 ARG CB C 13 31.041 0.2 . 1 . . . . . 8 ARG CB . 27358 1 32 . 1 1 8 8 ARG N N 15 125.294 0.2 . 1 . . . . . 8 ARG N . 27358 1 33 . 1 1 9 9 SER H H 1 8.325 0.01 . 1 . . . . . 9 SER H . 27358 1 34 . 1 1 9 9 SER C C 13 174.324 0.2 . 1 . . . . . 9 SER C . 27358 1 35 . 1 1 9 9 SER CA C 13 58.035 0.2 . 1 . . . . . 9 SER CA . 27358 1 36 . 1 1 9 9 SER CB C 13 63.985 0.2 . 1 . . . . . 9 SER CB . 27358 1 37 . 1 1 9 9 SER N N 15 117.872 0.2 . 1 . . . . . 9 SER N . 27358 1 38 . 1 1 10 10 VAL H H 1 8.202 0.01 . 1 . . . . . 10 VAL H . 27358 1 39 . 1 1 10 10 VAL C C 13 175.927 0.2 . 1 . . . . . 10 VAL C . 27358 1 40 . 1 1 10 10 VAL CA C 13 62.108 0.2 . 1 . . . . . 10 VAL CA . 27358 1 41 . 1 1 10 10 VAL CB C 13 32.897 0.2 . 1 . . . . . 10 VAL CB . 27358 1 42 . 1 1 10 10 VAL N N 15 122.083 0.2 . 1 . . . . . 10 VAL N . 27358 1 43 . 1 1 11 11 ARG H H 1 8.374 0.01 . 1 . . . . . 11 ARG H . 27358 1 44 . 1 1 11 11 ARG C C 13 176.131 0.2 . 1 . . . . . 11 ARG C . 27358 1 45 . 1 1 11 11 ARG CA C 13 55.946 0.2 . 1 . . . . . 11 ARG CA . 27358 1 46 . 1 1 11 11 ARG CB C 13 30.934 0.2 . 1 . . . . . 11 ARG CB . 27358 1 47 . 1 1 11 11 ARG N N 15 125.288 0.2 . 1 . . . . . 11 ARG N . 27358 1 48 . 1 1 12 12 LYS H H 1 8.458 0.01 . 1 . . . . . 12 LYS H . 27358 1 49 . 1 1 12 12 LYS C C 13 176.243 0.2 . 1 . . . . . 12 LYS C . 27358 1 50 . 1 1 12 12 LYS CA C 13 56.382 0.2 . 1 . . . . . 12 LYS CA . 27358 1 51 . 1 1 12 12 LYS CB C 13 33.352 0.2 . 1 . . . . . 12 LYS CB . 27358 1 52 . 1 1 12 12 LYS N N 15 123.872 0.2 . 1 . . . . . 12 LYS N . 27358 1 53 . 1 1 13 13 ASN H H 1 8.531 0.01 . 1 . . . . . 13 ASN H . 27358 1 54 . 1 1 13 13 ASN C C 13 175.271 0.2 . 1 . . . . . 13 ASN C . 27358 1 55 . 1 1 13 13 ASN CA C 13 53.204 0.2 . 1 . . . . . 13 ASN CA . 27358 1 56 . 1 1 13 13 ASN CB C 13 38.961 0.2 . 1 . . . . . 13 ASN CB . 27358 1 57 . 1 1 13 13 ASN N N 15 120.493 0.2 . 1 . . . . . 13 ASN N . 27358 1 58 . 1 1 14 14 SER H H 1 8.322 0.01 . 1 . . . . . 14 SER H . 27358 1 59 . 1 1 14 14 SER C C 13 174.548 0.2 . 1 . . . . . 14 SER C . 27358 1 60 . 1 1 14 14 SER CA C 13 58.429 0.2 . 1 . . . . . 14 SER CA . 27358 1 61 . 1 1 14 14 SER CB C 13 63.919 0.2 . 1 . . . . . 14 SER CB . 27358 1 62 . 1 1 14 14 SER N N 15 116.524 0.2 . 1 . . . . . 14 SER N . 27358 1 63 . 1 1 15 15 LEU H H 1 8.277 0.01 . 1 . . . . . 15 LEU H . 27358 1 64 . 1 1 15 15 LEU C C 13 177.361 0.2 . 1 . . . . . 15 LEU C . 27358 1 65 . 1 1 15 15 LEU CA C 13 55.318 0.2 . 1 . . . . . 15 LEU CA . 27358 1 66 . 1 1 15 15 LEU CB C 13 42.295 0.2 . 1 . . . . . 15 LEU CB . 27358 1 67 . 1 1 15 15 LEU N N 15 123.981 0.2 . 1 . . . . . 15 LEU N . 27358 1 68 . 1 1 16 16 SER H H 1 8.220 0.01 . 1 . . . . . 16 SER H . 27358 1 69 . 1 1 16 16 SER CA C 13 58.238 0.2 . 1 . . . . . 16 SER CA . 27358 1 70 . 1 1 16 16 SER CB C 13 63.934 0.2 . 1 . . . . . 16 SER CB . 27358 1 71 . 1 1 16 16 SER N N 15 115.850 0.2 . 1 . . . . . 16 SER N . 27358 1 72 . 1 1 17 17 ASP H H 1 8.383 0.01 . 1 . . . . . 17 ASP H . 27358 1 73 . 1 1 17 17 ASP C C 13 174.968 0.2 . 1 . . . . . 17 ASP C . 27358 1 74 . 1 1 17 17 ASP CA C 13 52.981 0.2 . 1 . . . . . 17 ASP CA . 27358 1 75 . 1 1 17 17 ASP CB C 13 38.061 0.2 . 1 . . . . . 17 ASP CB . 27358 1 76 . 1 1 17 17 ASP N N 15 120.911 0.2 . 1 . . . . . 17 ASP N . 27358 1 77 . 1 1 18 18 HIS H H 1 8.442 0.01 . 1 . . . . . 18 HIS H . 27358 1 78 . 1 1 18 18 HIS C C 13 174.324 0.2 . 1 . . . . . 18 HIS C . 27358 1 79 . 1 1 18 18 HIS CA C 13 55.349 0.2 . 1 . . . . . 18 HIS CA . 27358 1 80 . 1 1 18 18 HIS CB C 13 28.922 0.2 . 1 . . . . . 18 HIS CB . 27358 1 81 . 1 1 18 18 HIS N N 15 119.060 0.2 . 1 . . . . . 18 HIS N . 27358 1 82 . 1 1 19 19 SER H H 1 8.295 0.01 . 1 . . . . . 19 SER H . 27358 1 83 . 1 1 19 19 SER C C 13 174.469 0.2 . 1 . . . . . 19 SER C . 27358 1 84 . 1 1 19 19 SER CA C 13 58.468 0.2 . 1 . . . . . 19 SER CA . 27358 1 85 . 1 1 19 19 SER CB C 13 63.900 0.2 . 1 . . . . . 19 SER CB . 27358 1 86 . 1 1 19 19 SER N N 15 116.959 0.2 . 1 . . . . . 19 SER N . 27358 1 87 . 1 1 20 20 LEU H H 1 8.315 0.01 . 1 . . . . . 20 LEU H . 27358 1 88 . 1 1 20 20 LEU C C 13 177.679 0.2 . 1 . . . . . 20 LEU C . 27358 1 89 . 1 1 20 20 LEU CA C 13 55.334 0.2 . 1 . . . . . 20 LEU CA . 27358 1 90 . 1 1 20 20 LEU CB C 13 42.597 0.2 . 1 . . . . . 20 LEU CB . 27358 1 91 . 1 1 20 20 LEU N N 15 124.124 0.2 . 1 . . . . . 20 LEU N . 27358 1 92 . 1 1 21 21 GLY H H 1 8.303 0.01 . 1 . . . . . 21 GLY H . 27358 1 93 . 1 1 21 21 GLY C C 13 173.813 0.2 . 1 . . . . . 21 GLY C . 27358 1 94 . 1 1 21 21 GLY CA C 13 45.233 0.2 . 1 . . . . . 21 GLY CA . 27358 1 95 . 1 1 21 21 GLY N N 15 109.330 0.2 . 1 . . . . . 21 GLY N . 27358 1 96 . 1 1 22 22 ILE H H 1 7.937 0.01 . 1 . . . . . 22 ILE H . 27358 1 97 . 1 1 22 22 ILE CA C 13 60.999 0.2 . 1 . . . . . 22 ILE CA . 27358 1 98 . 1 1 22 22 ILE CB C 13 39.037 0.2 . 1 . . . . . 22 ILE CB . 27358 1 99 . 1 1 22 22 ILE N N 15 119.705 0.2 . 1 . . . . . 22 ILE N . 27358 1 100 . 1 1 23 23 SER H H 1 8.380 0.01 . 1 . . . . . 23 SER H . 27358 1 101 . 1 1 23 23 SER C C 13 174.491 0.2 . 1 . . . . . 23 SER C . 27358 1 102 . 1 1 23 23 SER CA C 13 58.263 0.2 . 1 . . . . . 23 SER CA . 27358 1 103 . 1 1 23 23 SER CB C 13 63.953 0.2 . 1 . . . . . 23 SER CB . 27358 1 104 . 1 1 23 23 SER N N 15 120.068 0.2 . 1 . . . . . 23 SER N . 27358 1 105 . 1 1 24 24 ARG H H 1 8.415 0.01 . 1 . . . . . 24 ARG H . 27358 1 106 . 1 1 24 24 ARG C C 13 176.247 0.2 . 1 . . . . . 24 ARG C . 27358 1 107 . 1 1 24 24 ARG CA C 13 56.085 0.2 . 1 . . . . . 24 ARG CA . 27358 1 108 . 1 1 24 24 ARG CB C 13 30.970 0.2 . 1 . . . . . 24 ARG CB . 27358 1 109 . 1 1 24 24 ARG N N 15 123.707 0.2 . 1 . . . . . 24 ARG N . 27358 1 110 . 1 1 25 25 SER H H 1 8.310 0.01 . 1 . . . . . 25 SER H . 27358 1 111 . 1 1 25 25 SER C C 13 174.491 0.2 . 1 . . . . . 25 SER C . 27358 1 112 . 1 1 25 25 SER CA C 13 58.382 0.2 . 1 . . . . . 25 SER CA . 27358 1 113 . 1 1 25 25 SER CB C 13 63.960 0.2 . 1 . . . . . 25 SER CB . 27358 1 114 . 1 1 25 25 SER N N 15 117.037 0.2 . 1 . . . . . 25 SER N . 27358 1 115 . 1 1 26 26 LYS H H 1 8.410 0.01 . 1 . . . . . 26 LYS H . 27358 1 116 . 1 1 26 26 LYS C C 13 176.417 0.2 . 1 . . . . . 26 LYS C . 27358 1 117 . 1 1 26 26 LYS CA C 13 56.420 0.2 . 1 . . . . . 26 LYS CA . 27358 1 118 . 1 1 26 26 LYS CB C 13 33.220 0.2 . 1 . . . . . 26 LYS CB . 27358 1 119 . 1 1 26 26 LYS N N 15 123.570 0.2 . 1 . . . . . 26 LYS N . 27358 1 120 . 1 1 27 27 THR H H 1 8.168 0.01 . 1 . . . . . 27 THR H . 27358 1 121 . 1 1 27 27 THR HA H 1 4.482 0.01 . 1 . . . . . 27 THR HA . 27358 1 122 . 1 1 27 27 THR CA C 13 59.984 0.2 . 1 . . . . . 27 THR CA . 27358 1 123 . 1 1 27 27 THR CB C 13 69.674 0.2 . 1 . . . . . 27 THR CB . 27358 1 124 . 1 1 27 27 THR N N 15 117.639 0.2 . 1 . . . . . 27 THR N . 27358 1 125 . 1 1 28 28 PRO C C 13 176.627 0.2 . 1 . . . . . 28 PRO C . 27358 1 126 . 1 1 28 28 PRO CA C 13 63.188 0.2 . 1 . . . . . 28 PRO CA . 27358 1 127 . 1 1 28 28 PRO CB C 13 32.279 0.2 . 1 . . . . . 28 PRO CB . 27358 1 128 . 1 1 29 29 VAL H H 1 8.150 0.01 . 1 . . . . . 29 VAL H . 27358 1 129 . 1 1 29 29 VAL C C 13 175.786 0.2 . 1 . . . . . 29 VAL C . 27358 1 130 . 1 1 29 29 VAL CA C 13 62.337 0.2 . 1 . . . . . 29 VAL CA . 27358 1 131 . 1 1 29 29 VAL CB C 13 32.839 0.2 . 1 . . . . . 29 VAL CB . 27358 1 132 . 1 1 29 29 VAL N N 15 120.135 0.2 . 1 . . . . . 29 VAL N . 27358 1 133 . 1 1 30 30 ASP H H 1 8.445 0.01 . 1 . . . . . 30 ASP H . 27358 1 134 . 1 1 30 30 ASP C C 13 174.207 0.2 . 1 . . . . . 30 ASP C . 27358 1 135 . 1 1 30 30 ASP CA C 13 52.704 0.2 . 1 . . . . . 30 ASP CA . 27358 1 136 . 1 1 30 30 ASP CB C 13 38.307 0.2 . 1 . . . . . 30 ASP CB . 27358 1 137 . 1 1 30 30 ASP N N 15 122.130 0.2 . 1 . . . . . 30 ASP N . 27358 1 138 . 1 1 31 31 ASP H H 1 8.400 0.01 . 1 . . . . . 31 ASP H . 27358 1 139 . 1 1 31 31 ASP CA C 13 51.069 0.2 . 1 . . . . . 31 ASP CA . 27358 1 140 . 1 1 31 31 ASP CB C 13 38.131 0.2 . 1 . . . . . 31 ASP CB . 27358 1 141 . 1 1 31 31 ASP N N 15 120.025 0.2 . 1 . . . . . 31 ASP N . 27358 1 142 . 1 1 32 32 PRO C C 13 176.850 0.2 . 1 . . . . . 32 PRO C . 27358 1 143 . 1 1 32 32 PRO CA C 13 63.582 0.2 . 1 . . . . . 32 PRO CA . 27358 1 144 . 1 1 32 32 PRO CB C 13 32.064 0.2 . 1 . . . . . 32 PRO CB . 27358 1 145 . 1 1 33 33 MET H H 1 8.265 0.01 . 1 . . . . . 33 MET H . 27358 1 146 . 1 1 33 33 MET C C 13 176.366 0.2 . 1 . . . . . 33 MET C . 27358 1 147 . 1 1 33 33 MET CA C 13 55.811 0.2 . 1 . . . . . 33 MET CA . 27358 1 148 . 1 1 33 33 MET CB C 13 32.738 0.2 . 1 . . . . . 33 MET CB . 27358 1 149 . 1 1 33 33 MET N N 15 119.572 0.2 . 1 . . . . . 33 MET N . 27358 1 150 . 1 1 34 34 SER H H 1 8.156 0.01 . 1 . . . . . 34 SER H . 27358 1 151 . 1 1 34 34 SER C C 13 174.459 0.2 . 1 . . . . . 34 SER C . 27358 1 152 . 1 1 34 34 SER CA C 13 58.456 0.2 . 1 . . . . . 34 SER CA . 27358 1 153 . 1 1 34 34 SER CB C 13 63.816 0.2 . 1 . . . . . 34 SER CB . 27358 1 154 . 1 1 34 34 SER N N 15 116.423 0.2 . 1 . . . . . 34 SER N . 27358 1 155 . 1 1 35 35 LEU H H 1 8.149 0.01 . 1 . . . . . 35 LEU H . 27358 1 156 . 1 1 35 35 LEU C C 13 176.914 0.2 . 1 . . . . . 35 LEU C . 27358 1 157 . 1 1 35 35 LEU CA C 13 55.236 0.2 . 1 . . . . . 35 LEU CA . 27358 1 158 . 1 1 35 35 LEU CB C 13 42.248 0.2 . 1 . . . . . 35 LEU CB . 27358 1 159 . 1 1 35 35 LEU N N 15 124.184 0.2 . 1 . . . . . 35 LEU N . 27358 1 160 . 1 1 36 36 LEU H H 1 8.039 0.01 . 1 . . . . . 36 LEU H . 27358 1 161 . 1 1 36 36 LEU C C 13 176.885 0.2 . 1 . . . . . 36 LEU C . 27358 1 162 . 1 1 36 36 LEU CA C 13 55.183 0.2 . 1 . . . . . 36 LEU CA . 27358 1 163 . 1 1 36 36 LEU CB C 13 42.411 0.2 . 1 . . . . . 36 LEU CB . 27358 1 164 . 1 1 36 36 LEU N N 15 121.982 0.2 . 1 . . . . . 36 LEU N . 27358 1 165 . 1 1 37 37 TYR H H 1 8.027 0.01 . 1 . . . . . 37 TYR H . 27358 1 166 . 1 1 37 37 TYR C C 13 175.353 0.2 . 1 . . . . . 37 TYR C . 27358 1 167 . 1 1 37 37 TYR CA C 13 57.653 0.2 . 1 . . . . . 37 TYR CA . 27358 1 168 . 1 1 37 37 TYR CB C 13 38.968 0.2 . 1 . . . . . 37 TYR CB . 27358 1 169 . 1 1 37 37 TYR N N 15 120.226 0.2 . 1 . . . . . 37 TYR N . 27358 1 170 . 1 1 38 38 ASN H H 1 8.326 0.01 . 1 . . . . . 38 ASN H . 27358 1 171 . 1 1 38 38 ASN C C 13 175.247 0.2 . 1 . . . . . 38 ASN C . 27358 1 172 . 1 1 38 38 ASN CA C 13 53.040 0.2 . 1 . . . . . 38 ASN CA . 27358 1 173 . 1 1 38 38 ASN CB C 13 38.923 0.2 . 1 . . . . . 38 ASN CB . 27358 1 174 . 1 1 38 38 ASN N N 15 120.380 0.2 . 1 . . . . . 38 ASN N . 27358 1 175 . 1 1 39 39 MET H H 1 8.308 0.01 . 1 . . . . . 39 MET H . 27358 1 176 . 1 1 39 39 MET C C 13 176.052 0.2 . 1 . . . . . 39 MET C . 27358 1 177 . 1 1 39 39 MET CA C 13 55.911 0.2 . 1 . . . . . 39 MET CA . 27358 1 178 . 1 1 39 39 MET CB C 13 32.504 0.2 . 1 . . . . . 39 MET CB . 27358 1 179 . 1 1 39 39 MET N N 15 121.216 0.2 . 1 . . . . . 39 MET N . 27358 1 180 . 1 1 40 40 ASN H H 1 8.372 0.01 . 1 . . . . . 40 ASN H . 27358 1 181 . 1 1 40 40 ASN C C 13 175.087 0.2 . 1 . . . . . 40 ASN C . 27358 1 182 . 1 1 40 40 ASN CA C 13 53.611 0.2 . 1 . . . . . 40 ASN CA . 27358 1 183 . 1 1 40 40 ASN CB C 13 38.767 0.2 . 1 . . . . . 40 ASN CB . 27358 1 184 . 1 1 40 40 ASN N N 15 118.771 0.2 . 1 . . . . . 40 ASN N . 27358 1 185 . 1 1 41 41 ASP H H 1 8.250 0.01 . 1 . . . . . 41 ASP H . 27358 1 186 . 1 1 41 41 ASP C C 13 174.930 0.2 . 1 . . . . . 41 ASP C . 27358 1 187 . 1 1 41 41 ASP CA C 13 53.036 0.2 . 1 . . . . . 41 ASP CA . 27358 1 188 . 1 1 41 41 ASP CB C 13 38.042 0.2 . 1 . . . . . 41 ASP CB . 27358 1 189 . 1 1 41 41 ASP N N 15 118.688 0.2 . 1 . . . . . 41 ASP N . 27358 1 190 . 1 1 42 42 CYS H H 1 8.199 0.01 . 1 . . . . . 42 CYS H . 27358 1 191 . 1 1 42 42 CYS C C 13 174.389 0.2 . 1 . . . . . 42 CYS C . 27358 1 192 . 1 1 42 42 CYS CA C 13 55.873 0.2 . 1 . . . . . 42 CYS CA . 27358 1 193 . 1 1 42 42 CYS CB C 13 40.996 0.2 . 1 . . . . . 42 CYS CB . 27358 1 194 . 1 1 42 42 CYS N N 15 118.921 0.2 . 1 . . . . . 42 CYS N . 27358 1 195 . 1 1 43 43 TYR H H 1 8.147 0.01 . 1 . . . . . 43 TYR H . 27358 1 196 . 1 1 43 43 TYR C C 13 175.699 0.2 . 1 . . . . . 43 TYR C . 27358 1 197 . 1 1 43 43 TYR CA C 13 58.110 0.2 . 1 . . . . . 43 TYR CA . 27358 1 198 . 1 1 43 43 TYR CB C 13 38.713 0.2 . 1 . . . . . 43 TYR CB . 27358 1 199 . 1 1 43 43 TYR N N 15 121.717 0.2 . 1 . . . . . 43 TYR N . 27358 1 200 . 1 1 44 44 SER H H 1 8.127 0.01 . 1 . . . . . 44 SER H . 27358 1 201 . 1 1 44 44 SER C C 13 174.389 0.2 . 1 . . . . . 44 SER C . 27358 1 202 . 1 1 44 44 SER CA C 13 58.266 0.2 . 1 . . . . . 44 SER CA . 27358 1 203 . 1 1 44 44 SER CB C 13 63.993 0.2 . 1 . . . . . 44 SER CB . 27358 1 204 . 1 1 44 44 SER N N 15 117.037 0.2 . 1 . . . . . 44 SER N . 27358 1 205 . 1 1 45 45 LYS H H 1 8.250 0.01 . 1 . . . . . 45 LYS H . 27358 1 206 . 1 1 45 45 LYS C C 13 176.420 0.2 . 1 . . . . . 45 LYS C . 27358 1 207 . 1 1 45 45 LYS CA C 13 56.555 0.2 . 1 . . . . . 45 LYS CA . 27358 1 208 . 1 1 45 45 LYS CB C 13 33.005 0.2 . 1 . . . . . 45 LYS CB . 27358 1 209 . 1 1 45 45 LYS N N 15 123.568 0.2 . 1 . . . . . 45 LYS N . 27358 1 210 . 1 1 46 46 LEU H H 1 8.112 0.01 . 1 . . . . . 46 LEU H . 27358 1 211 . 1 1 46 46 LEU C C 13 177.219 0.2 . 1 . . . . . 46 LEU C . 27358 1 212 . 1 1 46 46 LEU CA C 13 55.192 0.2 . 1 . . . . . 46 LEU CA . 27358 1 213 . 1 1 46 46 LEU CB C 13 42.383 0.2 . 1 . . . . . 46 LEU CB . 27358 1 214 . 1 1 46 46 LEU N N 15 122.850 0.2 . 1 . . . . . 46 LEU N . 27358 1 215 . 1 1 47 47 LYS H H 1 8.341 0.01 . 1 . . . . . 47 LYS H . 27358 1 216 . 1 1 47 47 LYS C C 13 176.290 0.2 . 1 . . . . . 47 LYS C . 27358 1 217 . 1 1 47 47 LYS CA C 13 56.366 0.2 . 1 . . . . . 47 LYS CA . 27358 1 218 . 1 1 47 47 LYS CB C 13 33.089 0.2 . 1 . . . . . 47 LYS CB . 27358 1 219 . 1 1 47 47 LYS N N 15 122.690 0.2 . 1 . . . . . 47 LYS N . 27358 1 220 . 1 1 48 48 GLU H H 1 8.287 0.01 . 1 . . . . . 48 GLU H . 27358 1 221 . 1 1 48 48 GLU C C 13 175.589 0.2 . 1 . . . . . 48 GLU C . 27358 1 222 . 1 1 48 48 GLU CA C 13 55.425 0.2 . 1 . . . . . 48 GLU CA . 27358 1 223 . 1 1 48 48 GLU CB C 13 28.969 0.2 . 1 . . . . . 48 GLU CB . 27358 1 224 . 1 1 48 48 GLU N N 15 121.794 0.2 . 1 . . . . . 48 GLU N . 27358 1 225 . 1 1 49 49 LEU H H 1 8.329 0.01 . 1 . . . . . 49 LEU H . 27358 1 226 . 1 1 49 49 LEU C C 13 176.829 0.2 . 1 . . . . . 49 LEU C . 27358 1 227 . 1 1 49 49 LEU CA C 13 55.085 0.2 . 1 . . . . . 49 LEU CA . 27358 1 228 . 1 1 49 49 LEU CB C 13 42.262 0.2 . 1 . . . . . 49 LEU CB . 27358 1 229 . 1 1 49 49 LEU N N 15 124.531 0.2 . 1 . . . . . 49 LEU N . 27358 1 230 . 1 1 50 50 VAL H H 1 8.190 0.01 . 1 . . . . . 50 VAL H . 27358 1 231 . 1 1 50 50 VAL CA C 13 59.724 0.2 . 1 . . . . . 50 VAL CA . 27358 1 232 . 1 1 50 50 VAL CB C 13 32.608 0.2 . 1 . . . . . 50 VAL CB . 27358 1 233 . 1 1 50 50 VAL N N 15 122.477 0.2 . 1 . . . . . 50 VAL N . 27358 1 234 . 1 1 51 51 PRO C C 13 176.562 0.2 . 1 . . . . . 51 PRO C . 27358 1 235 . 1 1 51 51 PRO CA C 13 63.132 0.2 . 1 . . . . . 51 PRO CA . 27358 1 236 . 1 1 51 51 PRO CB C 13 32.205 0.2 . 1 . . . . . 51 PRO CB . 27358 1 237 . 1 1 52 52 SER H H 1 8.301 0.01 . 1 . . . . . 52 SER H . 27358 1 238 . 1 1 52 52 SER C C 13 174.159 0.2 . 1 . . . . . 52 SER C . 27358 1 239 . 1 1 52 52 SER CA C 13 58.097 0.2 . 1 . . . . . 52 SER CA . 27358 1 240 . 1 1 52 52 SER CB C 13 63.887 0.2 . 1 . . . . . 52 SER CB . 27358 1 241 . 1 1 52 52 SER N N 15 116.521 0.2 . 1 . . . . . 52 SER N . 27358 1 242 . 1 1 53 53 ILE H H 1 8.127 0.01 . 1 . . . . . 53 ILE H . 27358 1 243 . 1 1 53 53 ILE CA C 13 58.724 0.2 . 1 . . . . . 53 ILE CA . 27358 1 244 . 1 1 53 53 ILE CB C 13 38.929 0.2 . 1 . . . . . 53 ILE CB . 27358 1 245 . 1 1 53 53 ILE N N 15 123.601 0.2 . 1 . . . . . 53 ILE N . 27358 1 246 . 1 1 54 54 PRO C C 13 176.759 0.2 . 1 . . . . . 54 PRO C . 27358 1 247 . 1 1 54 54 PRO CA C 13 63.264 0.2 . 1 . . . . . 54 PRO CA . 27358 1 248 . 1 1 54 54 PRO CB C 13 32.129 0.2 . 1 . . . . . 54 PRO CB . 27358 1 249 . 1 1 55 55 GLN H H 1 8.458 0.01 . 1 . . . . . 55 GLN H . 27358 1 250 . 1 1 55 55 GLN C C 13 175.854 0.2 . 1 . . . . . 55 GLN C . 27358 1 251 . 1 1 55 55 GLN CA C 13 55.952 0.2 . 1 . . . . . 55 GLN CA . 27358 1 252 . 1 1 55 55 GLN CB C 13 29.743 0.2 . 1 . . . . . 55 GLN CB . 27358 1 253 . 1 1 55 55 GLN N N 15 120.856 0.2 . 1 . . . . . 55 GLN N . 27358 1 254 . 1 1 56 56 ASN H H 1 8.429 0.01 . 1 . . . . . 56 ASN H . 27358 1 255 . 1 1 56 56 ASN C C 13 175.072 0.2 . 1 . . . . . 56 ASN C . 27358 1 256 . 1 1 56 56 ASN CA C 13 53.145 0.2 . 1 . . . . . 56 ASN CA . 27358 1 257 . 1 1 56 56 ASN CB C 13 38.808 0.2 . 1 . . . . . 56 ASN CB . 27358 1 258 . 1 1 56 56 ASN N N 15 119.966 0.2 . 1 . . . . . 56 ASN N . 27358 1 259 . 1 1 57 57 LYS H H 1 8.272 0.01 . 1 . . . . . 57 LYS H . 27358 1 260 . 1 1 57 57 LYS C C 13 176.270 0.2 . 1 . . . . . 57 LYS C . 27358 1 261 . 1 1 57 57 LYS CA C 13 56.382 0.2 . 1 . . . . . 57 LYS CA . 27358 1 262 . 1 1 57 57 LYS CB C 13 33.309 0.2 . 1 . . . . . 57 LYS CB . 27358 1 263 . 1 1 57 57 LYS N N 15 122.066 0.2 . 1 . . . . . 57 LYS N . 27358 1 264 . 1 1 58 58 LYS H H 1 8.340 0.01 . 1 . . . . . 58 LYS H . 27358 1 265 . 1 1 58 58 LYS C C 13 176.448 0.2 . 1 . . . . . 58 LYS C . 27358 1 266 . 1 1 58 58 LYS CA C 13 56.421 0.2 . 1 . . . . . 58 LYS CA . 27358 1 267 . 1 1 58 58 LYS CB C 13 33.117 0.2 . 1 . . . . . 58 LYS CB . 27358 1 268 . 1 1 58 58 LYS N N 15 123.211 0.2 . 1 . . . . . 58 LYS N . 27358 1 269 . 1 1 59 59 VAL H H 1 8.190 0.01 . 1 . . . . . 59 VAL H . 27358 1 270 . 1 1 59 59 VAL C C 13 176.058 0.2 . 1 . . . . . 59 VAL C . 27358 1 271 . 1 1 59 59 VAL CA C 13 61.978 0.2 . 1 . . . . . 59 VAL CA . 27358 1 272 . 1 1 59 59 VAL CB C 13 33.079 0.2 . 1 . . . . . 59 VAL CB . 27358 1 273 . 1 1 59 59 VAL N N 15 121.850 0.2 . 1 . . . . . 59 VAL N . 27358 1 274 . 1 1 60 60 SER H H 1 8.375 0.01 . 1 . . . . . 60 SER H . 27358 1 275 . 1 1 60 60 SER C C 13 174.434 0.2 . 1 . . . . . 60 SER C . 27358 1 276 . 1 1 60 60 SER CA C 13 58.151 0.2 . 1 . . . . . 60 SER CA . 27358 1 277 . 1 1 60 60 SER CB C 13 64.070 0.2 . 1 . . . . . 60 SER CB . 27358 1 278 . 1 1 60 60 SER N N 15 120.227 0.2 . 1 . . . . . 60 SER N . 27358 1 279 . 1 1 61 61 LYS H H 1 8.393 0.01 . 1 . . . . . 61 LYS H . 27358 1 280 . 1 1 61 61 LYS C C 13 176.342 0.2 . 1 . . . . . 61 LYS C . 27358 1 281 . 1 1 61 61 LYS CA C 13 56.540 0.2 . 1 . . . . . 61 LYS CA . 27358 1 282 . 1 1 61 61 LYS CB C 13 33.243 0.2 . 1 . . . . . 61 LYS CB . 27358 1 283 . 1 1 61 61 LYS N N 15 123.851 0.2 . 1 . . . . . 61 LYS N . 27358 1 284 . 1 1 62 62 MET H H 1 8.354 0.01 . 1 . . . . . 62 MET H . 27358 1 285 . 1 1 62 62 MET C C 13 175.988 0.2 . 1 . . . . . 62 MET C . 27358 1 286 . 1 1 62 62 MET CA C 13 55.530 0.2 . 1 . . . . . 62 MET CA . 27358 1 287 . 1 1 62 62 MET CB C 13 33.091 0.2 . 1 . . . . . 62 MET CB . 27358 1 288 . 1 1 62 62 MET N N 15 121.487 0.2 . 1 . . . . . 62 MET N . 27358 1 289 . 1 1 63 63 GLU H H 1 8.377 0.01 . 1 . . . . . 63 GLU H . 27358 1 290 . 1 1 63 63 GLU C C 13 175.562 0.2 . 1 . . . . . 63 GLU C . 27358 1 291 . 1 1 63 63 GLU CA C 13 55.665 0.2 . 1 . . . . . 63 GLU CA . 27358 1 292 . 1 1 63 63 GLU CB C 13 28.919 0.2 . 1 . . . . . 63 GLU CB . 27358 1 293 . 1 1 63 63 GLU N N 15 122.517 0.2 . 1 . . . . . 63 GLU N . 27358 1 294 . 1 1 64 64 ILE H H 1 8.226 0.01 . 1 . . . . . 64 ILE H . 27358 1 295 . 1 1 64 64 ILE C C 13 175.975 0.2 . 1 . . . . . 64 ILE C . 27358 1 296 . 1 1 64 64 ILE CA C 13 60.980 0.2 . 1 . . . . . 64 ILE CA . 27358 1 297 . 1 1 64 64 ILE CB C 13 38.471 0.2 . 1 . . . . . 64 ILE CB . 27358 1 298 . 1 1 64 64 ILE N N 15 123.209 0.2 . 1 . . . . . 64 ILE N . 27358 1 299 . 1 1 65 65 LEU H H 1 8.313 0.01 . 1 . . . . . 65 LEU H . 27358 1 300 . 1 1 65 65 LEU C C 13 176.962 0.2 . 1 . . . . . 65 LEU C . 27358 1 301 . 1 1 65 65 LEU CA C 13 54.941 0.2 . 1 . . . . . 65 LEU CA . 27358 1 302 . 1 1 65 65 LEU CB C 13 42.304 0.2 . 1 . . . . . 65 LEU CB . 27358 1 303 . 1 1 65 65 LEU N N 15 126.846 0.2 . 1 . . . . . 65 LEU N . 27358 1 304 . 1 1 66 66 GLN H H 1 8.371 0.01 . 1 . . . . . 66 GLN H . 27358 1 305 . 1 1 66 66 GLN C C 13 175.739 0.2 . 1 . . . . . 66 GLN C . 27358 1 306 . 1 1 66 66 GLN CA C 13 55.706 0.2 . 1 . . . . . 66 GLN CA . 27358 1 307 . 1 1 66 66 GLN CB C 13 29.796 0.2 . 1 . . . . . 66 GLN CB . 27358 1 308 . 1 1 66 66 GLN N N 15 121.363 0.2 . 1 . . . . . 66 GLN N . 27358 1 309 . 1 1 67 67 HIS H H 1 8.584 0.01 . 1 . . . . . 67 HIS H . 27358 1 310 . 1 1 67 67 HIS C C 13 174.086 0.2 . 1 . . . . . 67 HIS C . 27358 1 311 . 1 1 67 67 HIS CA C 13 55.178 0.2 . 1 . . . . . 67 HIS CA . 27358 1 312 . 1 1 67 67 HIS CB C 13 28.908 0.2 . 1 . . . . . 67 HIS CB . 27358 1 313 . 1 1 67 67 HIS N N 15 120.045 0.2 . 1 . . . . . 67 HIS N . 27358 1 314 . 1 1 68 68 VAL H H 1 8.231 0.01 . 1 . . . . . 68 VAL H . 27358 1 315 . 1 1 68 68 VAL C C 13 175.667 0.2 . 1 . . . . . 68 VAL C . 27358 1 316 . 1 1 68 68 VAL CA C 13 62.366 0.2 . 1 . . . . . 68 VAL CA . 27358 1 317 . 1 1 68 68 VAL CB C 13 32.943 0.2 . 1 . . . . . 68 VAL CB . 27358 1 318 . 1 1 68 68 VAL N N 15 122.476 0.2 . 1 . . . . . 68 VAL N . 27358 1 319 . 1 1 69 69 ILE H H 1 8.278 0.01 . 1 . . . . . 69 ILE H . 27358 1 320 . 1 1 69 69 ILE C C 13 175.480 0.2 . 1 . . . . . 69 ILE C . 27358 1 321 . 1 1 69 69 ILE CA C 13 60.908 0.2 . 1 . . . . . 69 ILE CA . 27358 1 322 . 1 1 69 69 ILE CB C 13 38.681 0.2 . 1 . . . . . 69 ILE CB . 27358 1 323 . 1 1 69 69 ILE N N 15 125.057 0.2 . 1 . . . . . 69 ILE N . 27358 1 324 . 1 1 70 70 ASP H H 1 8.421 0.01 . 1 . . . . . 70 ASP H . 27358 1 325 . 1 1 70 70 ASP C C 13 174.436 0.2 . 1 . . . . . 70 ASP C . 27358 1 326 . 1 1 70 70 ASP CA C 13 52.571 0.2 . 1 . . . . . 70 ASP CA . 27358 1 327 . 1 1 70 70 ASP CB C 13 38.288 0.2 . 1 . . . . . 70 ASP CB . 27358 1 328 . 1 1 70 70 ASP N N 15 123.458 0.2 . 1 . . . . . 70 ASP N . 27358 1 329 . 1 1 71 71 TYR H H 1 8.066 0.01 . 1 . . . . . 71 TYR H . 27358 1 330 . 1 1 71 71 TYR C C 13 175.387 0.2 . 1 . . . . . 71 TYR C . 27358 1 331 . 1 1 71 71 TYR CA C 13 58.216 0.2 . 1 . . . . . 71 TYR CA . 27358 1 332 . 1 1 71 71 TYR CB C 13 38.814 0.2 . 1 . . . . . 71 TYR CB . 27358 1 333 . 1 1 71 71 TYR N N 15 121.656 0.2 . 1 . . . . . 71 TYR N . 27358 1 334 . 1 1 72 72 ILE H H 1 8.091 0.01 . 1 . . . . . 72 ILE H . 27358 1 335 . 1 1 72 72 ILE C C 13 175.928 0.2 . 1 . . . . . 72 ILE C . 27358 1 336 . 1 1 72 72 ILE CA C 13 61.083 0.2 . 1 . . . . . 72 ILE CA . 27358 1 337 . 1 1 72 72 ILE CB C 13 38.519 0.2 . 1 . . . . . 72 ILE CB . 27358 1 338 . 1 1 72 72 ILE N N 15 122.594 0.2 . 1 . . . . . 72 ILE N . 27358 1 339 . 1 1 73 73 LEU H H 1 8.134 0.01 . 1 . . . . . 73 LEU H . 27358 1 340 . 1 1 73 73 LEU C C 13 176.791 0.2 . 1 . . . . . 73 LEU C . 27358 1 341 . 1 1 73 73 LEU CA C 13 55.307 0.2 . 1 . . . . . 73 LEU CA . 27358 1 342 . 1 1 73 73 LEU CB C 13 42.502 0.2 . 1 . . . . . 73 LEU CB . 27358 1 343 . 1 1 73 73 LEU N N 15 125.924 0.2 . 1 . . . . . 73 LEU N . 27358 1 344 . 1 1 74 74 ASP H H 1 8.431 0.01 . 1 . . . . . 74 ASP H . 27358 1 345 . 1 1 74 74 ASP C C 13 174.976 0.2 . 1 . . . . . 74 ASP C . 27358 1 346 . 1 1 74 74 ASP CA C 13 52.832 0.2 . 1 . . . . . 74 ASP CA . 27358 1 347 . 1 1 74 74 ASP CB C 13 37.873 0.2 . 1 . . . . . 74 ASP CB . 27358 1 348 . 1 1 74 74 ASP N N 15 119.977 0.2 . 1 . . . . . 74 ASP N . 27358 1 349 . 1 1 75 75 LEU H H 1 8.125 0.01 . 1 . . . . . 75 LEU H . 27358 1 350 . 1 1 75 75 LEU C C 13 177.116 0.2 . 1 . . . . . 75 LEU C . 27358 1 351 . 1 1 75 75 LEU CA C 13 55.383 0.2 . 1 . . . . . 75 LEU CA . 27358 1 352 . 1 1 75 75 LEU CB C 13 42.386 0.2 . 1 . . . . . 75 LEU CB . 27358 1 353 . 1 1 75 75 LEU N N 15 122.989 0.2 . 1 . . . . . 75 LEU N . 27358 1 354 . 1 1 76 76 GLN H H 1 8.273 0.01 . 1 . . . . . 76 GLN H . 27358 1 355 . 1 1 76 76 GLN C C 13 175.951 0.2 . 1 . . . . . 76 GLN C . 27358 1 356 . 1 1 76 76 GLN CA C 13 56.138 0.2 . 1 . . . . . 76 GLN CA . 27358 1 357 . 1 1 76 76 GLN CB C 13 29.169 0.2 . 1 . . . . . 76 GLN CB . 27358 1 358 . 1 1 76 76 GLN N N 15 120.765 0.2 . 1 . . . . . 76 GLN N . 27358 1 359 . 1 1 77 77 ILE H H 1 7.948 0.01 . 1 . . . . . 77 ILE H . 27358 1 360 . 1 1 77 77 ILE C C 13 175.886 0.2 . 1 . . . . . 77 ILE C . 27358 1 361 . 1 1 77 77 ILE CA C 13 61.246 0.2 . 1 . . . . . 77 ILE CA . 27358 1 362 . 1 1 77 77 ILE CB C 13 38.828 0.2 . 1 . . . . . 77 ILE CB . 27358 1 363 . 1 1 77 77 ILE N N 15 121.371 0.2 . 1 . . . . . 77 ILE N . 27358 1 364 . 1 1 78 78 ALA H H 1 8.232 0.01 . 1 . . . . . 78 ALA H . 27358 1 365 . 1 1 78 78 ALA C C 13 177.598 0.2 . 1 . . . . . 78 ALA C . 27358 1 366 . 1 1 78 78 ALA CA C 13 52.457 0.2 . 1 . . . . . 78 ALA CA . 27358 1 367 . 1 1 78 78 ALA CB C 13 19.046 0.2 . 1 . . . . . 78 ALA CB . 27358 1 368 . 1 1 78 78 ALA N N 15 127.486 0.2 . 1 . . . . . 78 ALA N . 27358 1 369 . 1 1 79 79 LEU H H 1 8.139 0.01 . 1 . . . . . 79 LEU H . 27358 1 370 . 1 1 79 79 LEU C C 13 177.248 0.2 . 1 . . . . . 79 LEU C . 27358 1 371 . 1 1 79 79 LEU CA C 13 55.271 0.2 . 1 . . . . . 79 LEU CA . 27358 1 372 . 1 1 79 79 LEU CB C 13 42.367 0.2 . 1 . . . . . 79 LEU CB . 27358 1 373 . 1 1 79 79 LEU N N 15 121.581 0.2 . 1 . . . . . 79 LEU N . 27358 1 374 . 1 1 80 80 ASP H H 1 8.380 0.01 . 1 . . . . . 80 ASP H . 27358 1 375 . 1 1 80 80 ASP C C 13 174.876 0.2 . 1 . . . . . 80 ASP C . 27358 1 376 . 1 1 80 80 ASP CA C 13 52.825 0.2 . 1 . . . . . 80 ASP CA . 27358 1 377 . 1 1 80 80 ASP CB C 13 38.068 0.2 . 1 . . . . . 80 ASP CB . 27358 1 378 . 1 1 80 80 ASP N N 15 119.133 0.2 . 1 . . . . . 80 ASP N . 27358 1 379 . 1 1 81 81 SER H H 1 8.085 0.01 . 1 . . . . . 81 SER H . 27358 1 380 . 1 1 81 81 SER C C 13 173.850 0.2 . 1 . . . . . 81 SER C . 27358 1 381 . 1 1 81 81 SER CA C 13 58.385 0.2 . 1 . . . . . 81 SER CA . 27358 1 382 . 1 1 81 81 SER CB C 13 63.904 0.2 . 1 . . . . . 81 SER CB . 27358 1 383 . 1 1 81 81 SER N N 15 115.931 0.2 . 1 . . . . . 81 SER N . 27358 1 384 . 1 1 82 82 HIS H H 1 8.377 0.01 . 1 . . . . . 82 HIS H . 27358 1 385 . 1 1 82 82 HIS CA C 13 53.340 0.2 . 1 . . . . . 82 HIS CA . 27358 1 386 . 1 1 82 82 HIS CB C 13 28.595 0.2 . 1 . . . . . 82 HIS CB . 27358 1 387 . 1 1 82 82 HIS N N 15 119.958 0.2 . 1 . . . . . 82 HIS N . 27358 1 388 . 1 1 83 83 PRO C C 13 176.885 0.2 . 1 . . . . . 83 PRO C . 27358 1 389 . 1 1 83 83 PRO CA C 13 63.217 0.2 . 1 . . . . . 83 PRO CA . 27358 1 390 . 1 1 83 83 PRO CB C 13 32.224 0.2 . 1 . . . . . 83 PRO CB . 27358 1 391 . 1 1 84 84 THR H H 1 8.366 0.01 . 1 . . . . . 84 THR H . 27358 1 392 . 1 1 84 84 THR C C 13 174.350 0.2 . 1 . . . . . 84 THR C . 27358 1 393 . 1 1 84 84 THR CA C 13 62.143 0.2 . 1 . . . . . 84 THR CA . 27358 1 394 . 1 1 84 84 THR CB C 13 70.022 0.2 . 1 . . . . . 84 THR CB . 27358 1 395 . 1 1 84 84 THR N N 15 115.995 0.2 . 1 . . . . . 84 THR N . 27358 1 396 . 1 1 85 85 ILE H H 1 8.230 0.01 . 1 . . . . . 85 ILE H . 27358 1 397 . 1 1 85 85 ILE C C 13 175.966 0.2 . 1 . . . . . 85 ILE C . 27358 1 398 . 1 1 85 85 ILE CA C 13 60.925 0.2 . 1 . . . . . 85 ILE CA . 27358 1 399 . 1 1 85 85 ILE CB C 13 38.754 0.2 . 1 . . . . . 85 ILE CB . 27358 1 400 . 1 1 85 85 ILE N N 15 124.203 0.2 . 1 . . . . . 85 ILE N . 27358 1 401 . 1 1 86 86 VAL H H 1 8.226 0.01 . 1 . . . . . 86 VAL H . 27358 1 402 . 1 1 86 86 VAL C C 13 175.864 0.2 . 1 . . . . . 86 VAL C . 27358 1 403 . 1 1 86 86 VAL CA C 13 62.172 0.2 . 1 . . . . . 86 VAL CA . 27358 1 404 . 1 1 86 86 VAL CB C 13 32.825 0.2 . 1 . . . . . 86 VAL CB . 27358 1 405 . 1 1 86 86 VAL N N 15 124.985 0.2 . 1 . . . . . 86 VAL N . 27358 1 406 . 1 1 87 87 SER H H 1 8.318 0.01 . 1 . . . . . 87 SER H . 27358 1 407 . 1 1 87 87 SER C C 13 174.329 0.2 . 1 . . . . . 87 SER C . 27358 1 408 . 1 1 87 87 SER CA C 13 57.908 0.2 . 1 . . . . . 87 SER CA . 27358 1 409 . 1 1 87 87 SER CB C 13 63.863 0.2 . 1 . . . . . 87 SER CB . 27358 1 410 . 1 1 87 87 SER N N 15 119.868 0.2 . 1 . . . . . 87 SER N . 27358 1 411 . 1 1 88 88 LEU H H 1 8.250 0.01 . 1 . . . . . 88 LEU H . 27358 1 412 . 1 1 88 88 LEU C C 13 177.028 0.2 . 1 . . . . . 88 LEU C . 27358 1 413 . 1 1 88 88 LEU CA C 13 55.112 0.2 . 1 . . . . . 88 LEU CA . 27358 1 414 . 1 1 88 88 LEU CB C 13 42.458 0.2 . 1 . . . . . 88 LEU CB . 27358 1 415 . 1 1 88 88 LEU N N 15 124.737 0.2 . 1 . . . . . 88 LEU N . 27358 1 416 . 1 1 89 89 HIS H H 1 8.502 0.01 . 1 . . . . . 89 HIS H . 27358 1 417 . 1 1 89 89 HIS C C 13 174.236 0.2 . 1 . . . . . 89 HIS C . 27358 1 418 . 1 1 89 89 HIS CA C 13 55.034 0.2 . 1 . . . . . 89 HIS CA . 27358 1 419 . 1 1 89 89 HIS CB C 13 28.894 0.2 . 1 . . . . . 89 HIS CB . 27358 1 420 . 1 1 89 89 HIS N N 15 118.727 0.2 . 1 . . . . . 89 HIS N . 27358 1 421 . 1 1 90 90 HIS H H 1 8.608 0.01 . 1 . . . . . 90 HIS H . 27358 1 422 . 1 1 90 90 HIS C C 13 174.127 0.2 . 1 . . . . . 90 HIS C . 27358 1 423 . 1 1 90 90 HIS CA C 13 55.183 0.2 . 1 . . . . . 90 HIS CA . 27358 1 424 . 1 1 90 90 HIS CB C 13 29.130 0.2 . 1 . . . . . 90 HIS CB . 27358 1 425 . 1 1 90 90 HIS N N 15 120.378 0.2 . 1 . . . . . 90 HIS N . 27358 1 426 . 1 1 91 91 GLN H H 1 8.551 0.01 . 1 . . . . . 91 GLN H . 27358 1 427 . 1 1 91 91 GLN C C 13 175.614 0.2 . 1 . . . . . 91 GLN C . 27358 1 428 . 1 1 91 91 GLN CA C 13 55.845 0.2 . 1 . . . . . 91 GLN CA . 27358 1 429 . 1 1 91 91 GLN CB C 13 29.895 0.2 . 1 . . . . . 91 GLN CB . 27358 1 430 . 1 1 91 91 GLN N N 15 122.490 0.2 . 1 . . . . . 91 GLN N . 27358 1 431 . 1 1 92 92 ARG H H 1 8.545 0.01 . 1 . . . . . 92 ARG H . 27358 1 432 . 1 1 92 92 ARG CA C 13 54.274 0.2 . 1 . . . . . 92 ARG CA . 27358 1 433 . 1 1 92 92 ARG CB C 13 30.043 0.2 . 1 . . . . . 92 ARG CB . 27358 1 434 . 1 1 92 92 ARG N N 15 124.042 0.2 . 1 . . . . . 92 ARG N . 27358 1 435 . 1 1 93 93 PRO C C 13 177.237 0.2 . 1 . . . . . 93 PRO C . 27358 1 436 . 1 1 93 93 PRO CA C 13 63.409 0.2 . 1 . . . . . 93 PRO CA . 27358 1 437 . 1 1 93 93 PRO CB C 13 32.213 0.2 . 1 . . . . . 93 PRO CB . 27358 1 438 . 1 1 94 94 GLY H H 1 8.411 0.01 . 1 . . . . . 94 GLY H . 27358 1 439 . 1 1 94 94 GLY C C 13 174.008 0.2 . 1 . . . . . 94 GLY C . 27358 1 440 . 1 1 94 94 GLY CA C 13 45.204 0.2 . 1 . . . . . 94 GLY CA . 27358 1 441 . 1 1 94 94 GLY N N 15 109.284 0.2 . 1 . . . . . 94 GLY N . 27358 1 442 . 1 1 95 95 GLN H H 1 8.176 0.01 . 1 . . . . . 95 GLN H . 27358 1 443 . 1 1 95 95 GLN C C 13 175.817 0.2 . 1 . . . . . 95 GLN C . 27358 1 444 . 1 1 95 95 GLN CA C 13 55.918 0.2 . 1 . . . . . 95 GLN CA . 27358 1 445 . 1 1 95 95 GLN CB C 13 29.717 0.2 . 1 . . . . . 95 GLN CB . 27358 1 446 . 1 1 95 95 GLN N N 15 119.638 0.2 . 1 . . . . . 95 GLN N . 27358 1 447 . 1 1 96 96 ASN H H 1 8.543 0.01 . 1 . . . . . 96 ASN H . 27358 1 448 . 1 1 96 96 ASN C C 13 175.189 0.2 . 1 . . . . . 96 ASN C . 27358 1 449 . 1 1 96 96 ASN CA C 13 53.416 0.2 . 1 . . . . . 96 ASN CA . 27358 1 450 . 1 1 96 96 ASN CB C 13 38.826 0.2 . 1 . . . . . 96 ASN CB . 27358 1 451 . 1 1 96 96 ASN N N 15 120.103 0.2 . 1 . . . . . 96 ASN N . 27358 1 452 . 1 1 97 97 GLN H H 1 8.356 0.01 . 1 . . . . . 97 GLN H . 27358 1 453 . 1 1 97 97 GLN C C 13 175.629 0.2 . 1 . . . . . 97 GLN C . 27358 1 454 . 1 1 97 97 GLN CA C 13 55.989 0.2 . 1 . . . . . 97 GLN CA . 27358 1 455 . 1 1 97 97 GLN CB C 13 29.543 0.2 . 1 . . . . . 97 GLN CB . 27358 1 456 . 1 1 97 97 GLN N N 15 121.001 0.2 . 1 . . . . . 97 GLN N . 27358 1 457 . 1 1 98 98 ALA H H 1 8.289 0.01 . 1 . . . . . 98 ALA H . 27358 1 458 . 1 1 98 98 ALA C C 13 177.659 0.2 . 1 . . . . . 98 ALA C . 27358 1 459 . 1 1 98 98 ALA CA C 13 52.598 0.2 . 1 . . . . . 98 ALA CA . 27358 1 460 . 1 1 98 98 ALA CB C 13 19.199 0.2 . 1 . . . . . 98 ALA CB . 27358 1 461 . 1 1 98 98 ALA N N 15 125.045 0.2 . 1 . . . . . 98 ALA N . 27358 1 462 . 1 1 99 99 SER H H 1 8.209 0.01 . 1 . . . . . 99 SER H . 27358 1 463 . 1 1 99 99 SER C C 13 174.525 0.2 . 1 . . . . . 99 SER C . 27358 1 464 . 1 1 99 99 SER CA C 13 58.355 0.2 . 1 . . . . . 99 SER CA . 27358 1 465 . 1 1 99 99 SER CB C 13 63.932 0.2 . 1 . . . . . 99 SER CB . 27358 1 466 . 1 1 99 99 SER N N 15 115.146 0.2 . 1 . . . . . 99 SER N . 27358 1 467 . 1 1 100 100 ARG H H 1 8.352 0.01 . 1 . . . . . 100 ARG H . 27358 1 468 . 1 1 100 100 ARG C C 13 176.095 0.2 . 1 . . . . . 100 ARG C . 27358 1 469 . 1 1 100 100 ARG CA C 13 56.071 0.2 . 1 . . . . . 100 ARG CA . 27358 1 470 . 1 1 100 100 ARG CB C 13 31.042 0.2 . 1 . . . . . 100 ARG CB . 27358 1 471 . 1 1 100 100 ARG N N 15 123.022 0.2 . 1 . . . . . 100 ARG N . 27358 1 472 . 1 1 101 101 THR H H 1 8.203 0.01 . 1 . . . . . 101 THR H . 27358 1 473 . 1 1 101 101 THR CA C 13 60.019 0.2 . 1 . . . . . 101 THR CA . 27358 1 474 . 1 1 101 101 THR CB C 13 69.732 0.2 . 1 . . . . . 101 THR CB . 27358 1 475 . 1 1 101 101 THR N N 15 117.791 0.2 . 1 . . . . . 101 THR N . 27358 1 476 . 1 1 102 102 PRO C C 13 176.603 0.2 . 1 . . . . . 102 PRO C . 27358 1 477 . 1 1 102 102 PRO CA C 13 63.163 0.2 . 1 . . . . . 102 PRO CA . 27358 1 478 . 1 1 102 102 PRO CB C 13 32.172 0.2 . 1 . . . . . 102 PRO CB . 27358 1 479 . 1 1 103 103 LEU H H 1 8.326 0.01 . 1 . . . . . 103 LEU H . 27358 1 480 . 1 1 103 103 LEU C C 13 177.581 0.2 . 1 . . . . . 103 LEU C . 27358 1 481 . 1 1 103 103 LEU CA C 13 55.357 0.2 . 1 . . . . . 103 LEU CA . 27358 1 482 . 1 1 103 103 LEU CB C 13 42.411 0.2 . 1 . . . . . 103 LEU CB . 27358 1 483 . 1 1 103 103 LEU N N 15 122.746 0.2 . 1 . . . . . 103 LEU N . 27358 1 484 . 1 1 104 104 THR H H 1 8.145 0.01 . 1 . . . . . 104 THR H . 27358 1 485 . 1 1 104 104 THR C C 13 174.586 0.2 . 1 . . . . . 104 THR C . 27358 1 486 . 1 1 104 104 THR CA C 13 61.667 0.2 . 1 . . . . . 104 THR CA . 27358 1 487 . 1 1 104 104 THR CB C 13 70.066 0.2 . 1 . . . . . 104 THR CB . 27358 1 488 . 1 1 104 104 THR N N 15 114.778 0.2 . 1 . . . . . 104 THR N . 27358 1 489 . 1 1 105 105 THR H H 1 8.127 0.01 . 1 . . . . . 105 THR H . 27358 1 490 . 1 1 105 105 THR C C 13 174.301 0.2 . 1 . . . . . 105 THR C . 27358 1 491 . 1 1 105 105 THR CA C 13 61.702 0.2 . 1 . . . . . 105 THR CA . 27358 1 492 . 1 1 105 105 THR CB C 13 69.933 0.2 . 1 . . . . . 105 THR CB . 27358 1 493 . 1 1 105 105 THR N N 15 116.206 0.2 . 1 . . . . . 105 THR N . 27358 1 494 . 1 1 106 106 LEU H H 1 8.204 0.01 . 1 . . . . . 106 LEU H . 27358 1 495 . 1 1 106 106 LEU C C 13 176.857 0.2 . 1 . . . . . 106 LEU C . 27358 1 496 . 1 1 106 106 LEU CA C 13 55.179 0.2 . 1 . . . . . 106 LEU CA . 27358 1 497 . 1 1 106 106 LEU CB C 13 42.590 0.2 . 1 . . . . . 106 LEU CB . 27358 1 498 . 1 1 106 106 LEU N N 15 124.411 0.2 . 1 . . . . . 106 LEU N . 27358 1 499 . 1 1 107 107 ASN H H 1 8.489 0.01 . 1 . . . . . 107 ASN H . 27358 1 500 . 1 1 107 107 ASN C C 13 175.432 0.2 . 1 . . . . . 107 ASN C . 27358 1 501 . 1 1 107 107 ASN CA C 13 53.257 0.2 . 1 . . . . . 107 ASN CA . 27358 1 502 . 1 1 107 107 ASN CB C 13 38.803 0.2 . 1 . . . . . 107 ASN CB . 27358 1 503 . 1 1 107 107 ASN N N 15 120.114 0.2 . 1 . . . . . 107 ASN N . 27358 1 504 . 1 1 108 108 THR H H 1 8.084 0.01 . 1 . . . . . 108 THR H . 27358 1 505 . 1 1 108 108 THR C C 13 174.299 0.2 . 1 . . . . . 108 THR C . 27358 1 506 . 1 1 108 108 THR CA C 13 61.895 0.2 . 1 . . . . . 108 THR CA . 27358 1 507 . 1 1 108 108 THR CB C 13 69.655 0.2 . 1 . . . . . 108 THR CB . 27358 1 508 . 1 1 108 108 THR N N 15 113.984 0.2 . 1 . . . . . 108 THR N . 27358 1 509 . 1 1 109 109 ASP H H 1 8.428 0.01 . 1 . . . . . 109 ASP H . 27358 1 510 . 1 1 109 109 ASP C C 13 174.850 0.2 . 1 . . . . . 109 ASP C . 27358 1 511 . 1 1 109 109 ASP CA C 13 53.016 0.2 . 1 . . . . . 109 ASP CA . 27358 1 512 . 1 1 109 109 ASP CB C 13 37.990 0.2 . 1 . . . . . 109 ASP CB . 27358 1 513 . 1 1 109 109 ASP N N 15 121.139 0.2 . 1 . . . . . 109 ASP N . 27358 1 514 . 1 1 110 110 ILE H H 1 7.938 0.01 . 1 . . . . . 110 ILE H . 27358 1 515 . 1 1 110 110 ILE C C 13 175.975 0.2 . 1 . . . . . 110 ILE C . 27358 1 516 . 1 1 110 110 ILE CA C 13 61.228 0.2 . 1 . . . . . 110 ILE CA . 27358 1 517 . 1 1 110 110 ILE CB C 13 38.921 0.2 . 1 . . . . . 110 ILE CB . 27358 1 518 . 1 1 110 110 ILE N N 15 120.611 0.2 . 1 . . . . . 110 ILE N . 27358 1 519 . 1 1 111 111 SER H H 1 8.291 0.01 . 1 . . . . . 111 SER H . 27358 1 520 . 1 1 111 111 SER C C 13 174.601 0.2 . 1 . . . . . 111 SER C . 27358 1 521 . 1 1 111 111 SER CA C 13 58.301 0.2 . 1 . . . . . 111 SER CA . 27358 1 522 . 1 1 111 111 SER CB C 13 63.865 0.2 . 1 . . . . . 111 SER CB . 27358 1 523 . 1 1 111 111 SER N N 15 119.603 0.2 . 1 . . . . . 111 SER N . 27358 1 524 . 1 1 112 112 ILE H H 1 8.130 0.01 . 1 . . . . . 112 ILE H . 27358 1 525 . 1 1 112 112 ILE C C 13 176.168 0.2 . 1 . . . . . 112 ILE C . 27358 1 526 . 1 1 112 112 ILE CA C 13 61.387 0.2 . 1 . . . . . 112 ILE CA . 27358 1 527 . 1 1 112 112 ILE CB C 13 38.598 0.2 . 1 . . . . . 112 ILE CB . 27358 1 528 . 1 1 112 112 ILE N N 15 123.025 0.2 . 1 . . . . . 112 ILE N . 27358 1 529 . 1 1 113 113 LEU H H 1 8.162 0.01 . 1 . . . . . 113 LEU H . 27358 1 530 . 1 1 113 113 LEU C C 13 177.399 0.2 . 1 . . . . . 113 LEU C . 27358 1 531 . 1 1 113 113 LEU CA C 13 55.348 0.2 . 1 . . . . . 113 LEU CA . 27358 1 532 . 1 1 113 113 LEU CB C 13 42.272 0.2 . 1 . . . . . 113 LEU CB . 27358 1 533 . 1 1 113 113 LEU N N 15 125.235 0.2 . 1 . . . . . 113 LEU N . 27358 1 534 . 1 1 114 114 SER H H 1 8.186 0.01 . 1 . . . . . 114 SER H . 27358 1 535 . 1 1 114 114 SER C C 13 174.692 0.2 . 1 . . . . . 114 SER C . 27358 1 536 . 1 1 114 114 SER CA C 13 58.414 0.2 . 1 . . . . . 114 SER CA . 27358 1 537 . 1 1 114 114 SER CB C 13 63.795 0.2 . 1 . . . . . 114 SER CB . 27358 1 538 . 1 1 114 114 SER N N 15 116.554 0.2 . 1 . . . . . 114 SER N . 27358 1 539 . 1 1 115 115 LEU H H 1 8.174 0.01 . 1 . . . . . 115 LEU H . 27358 1 540 . 1 1 115 115 LEU C C 13 177.468 0.2 . 1 . . . . . 115 LEU C . 27358 1 541 . 1 1 115 115 LEU CA C 13 55.522 0.2 . 1 . . . . . 115 LEU CA . 27358 1 542 . 1 1 115 115 LEU CB C 13 42.260 0.2 . 1 . . . . . 115 LEU CB . 27358 1 543 . 1 1 115 115 LEU N N 15 124.246 0.2 . 1 . . . . . 115 LEU N . 27358 1 544 . 1 1 116 116 GLN H H 1 8.257 0.01 . 1 . . . . . 116 GLN H . 27358 1 545 . 1 1 116 116 GLN C C 13 175.887 0.2 . 1 . . . . . 116 GLN C . 27358 1 546 . 1 1 116 116 GLN CA C 13 56.134 0.2 . 1 . . . . . 116 GLN CA . 27358 1 547 . 1 1 116 116 GLN CB C 13 29.394 0.2 . 1 . . . . . 116 GLN CB . 27358 1 548 . 1 1 116 116 GLN N N 15 120.458 0.2 . 1 . . . . . 116 GLN N . 27358 1 549 . 1 1 117 117 ALA H H 1 8.180 0.01 . 1 . . . . . 117 ALA H . 27358 1 550 . 1 1 117 117 ALA C C 13 177.660 0.2 . 1 . . . . . 117 ALA C . 27358 1 551 . 1 1 117 117 ALA CA C 13 52.793 0.2 . 1 . . . . . 117 ALA CA . 27358 1 552 . 1 1 117 117 ALA CB C 13 19.191 0.2 . 1 . . . . . 117 ALA CB . 27358 1 553 . 1 1 117 117 ALA N N 15 124.762 0.2 . 1 . . . . . 117 ALA N . 27358 1 554 . 1 1 118 118 SER H H 1 8.132 0.01 . 1 . . . . . 118 SER H . 27358 1 555 . 1 1 118 118 SER C C 13 174.392 0.2 . 1 . . . . . 118 SER C . 27358 1 556 . 1 1 118 118 SER CA C 13 58.327 0.2 . 1 . . . . . 118 SER CA . 27358 1 557 . 1 1 118 118 SER CB C 13 63.915 0.2 . 1 . . . . . 118 SER CB . 27358 1 558 . 1 1 118 118 SER N N 15 114.366 0.2 . 1 . . . . . 118 SER N . 27358 1 559 . 1 1 119 119 GLU H H 1 8.155 0.01 . 1 . . . . . 119 GLU H . 27358 1 560 . 1 1 119 119 GLU C C 13 175.190 0.2 . 1 . . . . . 119 GLU C . 27358 1 561 . 1 1 119 119 GLU CA C 13 55.913 0.2 . 1 . . . . . 119 GLU CA . 27358 1 562 . 1 1 119 119 GLU CB C 13 28.981 0.2 . 1 . . . . . 119 GLU CB . 27358 1 563 . 1 1 119 119 GLU N N 15 121.735 0.2 . 1 . . . . . 119 GLU N . 27358 1 564 . 1 1 120 120 PHE H H 1 8.106 0.01 . 1 . . . . . 120 PHE H . 27358 1 565 . 1 1 120 120 PHE CA C 13 55.542 0.2 . 1 . . . . . 120 PHE CA . 27358 1 566 . 1 1 120 120 PHE CB C 13 39.110 0.2 . 1 . . . . . 120 PHE CB . 27358 1 567 . 1 1 120 120 PHE N N 15 120.597 0.2 . 1 . . . . . 120 PHE N . 27358 1 568 . 1 1 121 121 PRO C C 13 176.832 0.2 . 1 . . . . . 121 PRO C . 27358 1 569 . 1 1 121 121 PRO CA C 13 63.428 0.2 . 1 . . . . . 121 PRO CA . 27358 1 570 . 1 1 121 121 PRO CB C 13 32.037 0.2 . 1 . . . . . 121 PRO CB . 27358 1 571 . 1 1 122 122 SER H H 1 8.339 0.01 . 1 . . . . . 122 SER H . 27358 1 572 . 1 1 122 122 SER C C 13 174.814 0.2 . 1 . . . . . 122 SER C . 27358 1 573 . 1 1 122 122 SER CA C 13 58.689 0.2 . 1 . . . . . 122 SER CA . 27358 1 574 . 1 1 122 122 SER CB C 13 63.831 0.2 . 1 . . . . . 122 SER CB . 27358 1 575 . 1 1 122 122 SER N N 15 115.995 0.2 . 1 . . . . . 122 SER N . 27358 1 576 . 1 1 123 123 GLU H H 1 8.339 0.01 . 1 . . . . . 123 GLU H . 27358 1 577 . 1 1 123 123 GLU C C 13 175.773 0.2 . 1 . . . . . 123 GLU C . 27358 1 578 . 1 1 123 123 GLU CA C 13 55.899 0.2 . 1 . . . . . 123 GLU CA . 27358 1 579 . 1 1 123 123 GLU CB C 13 28.784 0.2 . 1 . . . . . 123 GLU CB . 27358 1 580 . 1 1 123 123 GLU N N 15 121.998 0.2 . 1 . . . . . 123 GLU N . 27358 1 581 . 1 1 124 124 LEU H H 1 8.157 0.01 . 1 . . . . . 124 LEU H . 27358 1 582 . 1 1 124 124 LEU C C 13 177.215 0.2 . 1 . . . . . 124 LEU C . 27358 1 583 . 1 1 124 124 LEU CA C 13 55.241 0.2 . 1 . . . . . 124 LEU CA . 27358 1 584 . 1 1 124 124 LEU CB C 13 42.288 0.2 . 1 . . . . . 124 LEU CB . 27358 1 585 . 1 1 124 124 LEU N N 15 122.879 0.2 . 1 . . . . . 124 LEU N . 27358 1 586 . 1 1 125 125 MET H H 1 8.338 0.01 . 1 . . . . . 125 MET H . 27358 1 587 . 1 1 125 125 MET C C 13 176.254 0.2 . 1 . . . . . 125 MET C . 27358 1 588 . 1 1 125 125 MET CA C 13 55.378 0.2 . 1 . . . . . 125 MET CA . 27358 1 589 . 1 1 125 125 MET CB C 13 32.993 0.2 . 1 . . . . . 125 MET CB . 27358 1 590 . 1 1 125 125 MET N N 15 121.269 0.2 . 1 . . . . . 125 MET N . 27358 1 591 . 1 1 126 126 SER H H 1 8.277 0.01 . 1 . . . . . 126 SER H . 27358 1 592 . 1 1 126 126 SER C C 13 174.354 0.2 . 1 . . . . . 126 SER C . 27358 1 593 . 1 1 126 126 SER CA C 13 58.393 0.2 . 1 . . . . . 126 SER CA . 27358 1 594 . 1 1 126 126 SER CB C 13 63.867 0.2 . 1 . . . . . 126 SER CB . 27358 1 595 . 1 1 126 126 SER N N 15 116.719 0.2 . 1 . . . . . 126 SER N . 27358 1 596 . 1 1 127 127 ASN H H 1 8.459 0.01 . 1 . . . . . 127 ASN H . 27358 1 597 . 1 1 127 127 ASN C C 13 175.049 0.2 . 1 . . . . . 127 ASN C . 27358 1 598 . 1 1 127 127 ASN CA C 13 53.374 0.2 . 1 . . . . . 127 ASN CA . 27358 1 599 . 1 1 127 127 ASN CB C 13 38.766 0.2 . 1 . . . . . 127 ASN CB . 27358 1 600 . 1 1 127 127 ASN N N 15 120.699 0.2 . 1 . . . . . 127 ASN N . 27358 1 601 . 1 1 128 128 ASP H H 1 8.367 0.01 . 1 . . . . . 128 ASP H . 27358 1 602 . 1 1 128 128 ASP C C 13 175.162 0.2 . 1 . . . . . 128 ASP C . 27358 1 603 . 1 1 128 128 ASP CA C 13 52.960 0.2 . 1 . . . . . 128 ASP CA . 27358 1 604 . 1 1 128 128 ASP CB C 13 38.144 0.2 . 1 . . . . . 128 ASP CB . 27358 1 605 . 1 1 128 128 ASP N N 15 119.301 0.2 . 1 . . . . . 128 ASP N . 27358 1 606 . 1 1 129 129 SER H H 1 8.191 0.01 . 1 . . . . . 129 SER H . 27358 1 607 . 1 1 129 129 SER C C 13 174.583 0.2 . 1 . . . . . 129 SER C . 27358 1 608 . 1 1 129 129 SER CA C 13 58.806 0.2 . 1 . . . . . 129 SER CA . 27358 1 609 . 1 1 129 129 SER CB C 13 63.851 0.2 . 1 . . . . . 129 SER CB . 27358 1 610 . 1 1 129 129 SER N N 15 116.335 0.2 . 1 . . . . . 129 SER N . 27358 1 611 . 1 1 130 130 LYS H H 1 8.220 0.01 . 1 . . . . . 130 LYS H . 27358 1 612 . 1 1 130 130 LYS C C 13 176.203 0.2 . 1 . . . . . 130 LYS C . 27358 1 613 . 1 1 130 130 LYS CA C 13 56.441 0.2 . 1 . . . . . 130 LYS CA . 27358 1 614 . 1 1 130 130 LYS CB C 13 33.061 0.2 . 1 . . . . . 130 LYS CB . 27358 1 615 . 1 1 130 130 LYS N N 15 123.029 0.2 . 1 . . . . . 130 LYS N . 27358 1 616 . 1 1 131 131 ALA H H 1 8.137 0.01 . 1 . . . . . 131 ALA H . 27358 1 617 . 1 1 131 131 ALA C C 13 177.530 0.2 . 1 . . . . . 131 ALA C . 27358 1 618 . 1 1 131 131 ALA CA C 13 52.511 0.2 . 1 . . . . . 131 ALA CA . 27358 1 619 . 1 1 131 131 ALA CB C 13 19.127 0.2 . 1 . . . . . 131 ALA CB . 27358 1 620 . 1 1 131 131 ALA N N 15 124.696 0.2 . 1 . . . . . 131 ALA N . 27358 1 621 . 1 1 132 132 LEU H H 1 8.143 0.01 . 1 . . . . . 132 LEU H . 27358 1 622 . 1 1 132 132 LEU C C 13 177.296 0.2 . 1 . . . . . 132 LEU C . 27358 1 623 . 1 1 132 132 LEU CA C 13 55.263 0.2 . 1 . . . . . 132 LEU CA . 27358 1 624 . 1 1 132 132 LEU CB C 13 42.387 0.2 . 1 . . . . . 132 LEU CB . 27358 1 625 . 1 1 132 132 LEU N N 15 121.428 0.2 . 1 . . . . . 132 LEU N . 27358 1 626 . 1 1 133 133 CYS H H 1 8.391 0.01 . 1 . . . . . 133 CYS H . 27358 1 627 . 1 1 133 133 CYS C C 13 174.969 0.2 . 1 . . . . . 133 CYS C . 27358 1 628 . 1 1 133 133 CYS CA C 13 55.186 0.2 . 1 . . . . . 133 CYS CA . 27358 1 629 . 1 1 133 133 CYS CB C 13 41.581 0.2 . 1 . . . . . 133 CYS CB . 27358 1 630 . 1 1 133 133 CYS N N 15 119.172 0.2 . 1 . . . . . 133 CYS N . 27358 1 631 . 1 1 134 134 GLY H H 1 8.358 0.01 . 1 . . . . . 134 GLY H . 27358 1 632 . 1 1 134 134 GLY HA2 H 1 3.939 0.01 . 1 . . . . . 134 GLY QA . 27358 1 633 . 1 1 134 134 GLY HA3 H 1 3.939 0.01 . 1 . . . . . 134 GLY QA . 27358 1 634 . 1 1 134 134 GLY CA C 13 44.212 0.2 . 1 . . . . . 134 GLY CA . 27358 1 635 . 1 1 134 134 GLY N N 15 111.404 0.2 . 1 . . . . . 134 GLY N . 27358 1 stop_ save_