data_30017 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30017 _Entry.Title ; Solution Structure of human calcium-binding S100A9 (C3S) protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-02-19 _Entry.Accession_date 2016-02-19 _Entry.Last_release_date 2016-08-19 _Entry.Original_release_date 2016-08-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Chin-Chi Chang . . . . 30017 2 Yu Chin . . . . 30017 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'METAL BINDING PROTEIN' . 30017 calcium-binding . 30017 'calgranulin B' . 30017 homodimer . 30017 'migration inhibitory factor-related protein 14 (MRP14)' . 30017 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30017 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 435 30017 '15N chemical shifts' 98 30017 '1H chemical shifts' 668 30017 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-11-21 2016-02-19 update BMRB 'update entry citation' 30017 1 . . 2016-08-19 2016-02-19 original author 'original release' 30017 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5I8N 'BMRB Entry Tracking System' 30017 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30017 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27524699 _Citation.Full_citation . _Citation.Title ; Blocking the interaction between S100A9 and RAGE V domain using CHAPS molecule: A novel route to drug development against cell proliferation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta' _Citation.Journal_name_full . _Citation.Journal_volume 1864 _Citation.Journal_issue 11 _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 1558 _Citation.Page_last 1569 _Citation.Year 2016 _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 Chin-Chi Chang . . . . 30017 1 2 Imran Khan . . . . 30017 1 3 Kun-Lin Tsai . . . . 30017 1 4 Hongchun Li . . . . 30017 1 5 Lee-Wei Yang . . . . 30017 1 6 Ruey-Hwang Chou . . . . 30017 1 7 Chin Yu . . . . 30017 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30017 _Assembly.ID 1 _Assembly.Name 'Protein S100-A9' _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 . . . . . . 30017 1 2 entity_2 1 $entity_1 B B yes . . . . . . 30017 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30017 _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,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MTSKMSQLERNIETIINTFH QYSVKLGHPDTLNQGEFKEL VRKDLQNFLKKENKNEKVIE HIMEDLDTNADKQLSFEEFI MLMARLTWASHEKMHEGDEG PGHHHKPGLGEGTP ; _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 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation C3S _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13247.955 _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 Calgranulin-B na 30017 1 'Calprotectin L1H subunit' na 30017 1 'Leukocyte L1 complex heavy chain' na 30017 1 'Migration inhibitory factor-related protein 14' na 30017 1 'S100 calcium-binding protein A9' na 30017 1 p14 na 30017 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 1 MET . 30017 1 2 2 THR . 30017 1 3 3 SER . 30017 1 4 4 LYS . 30017 1 5 5 MET . 30017 1 6 6 SER . 30017 1 7 7 GLN . 30017 1 8 8 LEU . 30017 1 9 9 GLU . 30017 1 10 10 ARG . 30017 1 11 11 ASN . 30017 1 12 12 ILE . 30017 1 13 13 GLU . 30017 1 14 14 THR . 30017 1 15 15 ILE . 30017 1 16 16 ILE . 30017 1 17 17 ASN . 30017 1 18 18 THR . 30017 1 19 19 PHE . 30017 1 20 20 HIS . 30017 1 21 21 GLN . 30017 1 22 22 TYR . 30017 1 23 23 SER . 30017 1 24 24 VAL . 30017 1 25 25 LYS . 30017 1 26 26 LEU . 30017 1 27 27 GLY . 30017 1 28 28 HIS . 30017 1 29 29 PRO . 30017 1 30 30 ASP . 30017 1 31 31 THR . 30017 1 32 32 LEU . 30017 1 33 33 ASN . 30017 1 34 34 GLN . 30017 1 35 35 GLY . 30017 1 36 36 GLU . 30017 1 37 37 PHE . 30017 1 38 38 LYS . 30017 1 39 39 GLU . 30017 1 40 40 LEU . 30017 1 41 41 VAL . 30017 1 42 42 ARG . 30017 1 43 43 LYS . 30017 1 44 44 ASP . 30017 1 45 45 LEU . 30017 1 46 46 GLN . 30017 1 47 47 ASN . 30017 1 48 48 PHE . 30017 1 49 49 LEU . 30017 1 50 50 LYS . 30017 1 51 51 LYS . 30017 1 52 52 GLU . 30017 1 53 53 ASN . 30017 1 54 54 LYS . 30017 1 55 55 ASN . 30017 1 56 56 GLU . 30017 1 57 57 LYS . 30017 1 58 58 VAL . 30017 1 59 59 ILE . 30017 1 60 60 GLU . 30017 1 61 61 HIS . 30017 1 62 62 ILE . 30017 1 63 63 MET . 30017 1 64 64 GLU . 30017 1 65 65 ASP . 30017 1 66 66 LEU . 30017 1 67 67 ASP . 30017 1 68 68 THR . 30017 1 69 69 ASN . 30017 1 70 70 ALA . 30017 1 71 71 ASP . 30017 1 72 72 LYS . 30017 1 73 73 GLN . 30017 1 74 74 LEU . 30017 1 75 75 SER . 30017 1 76 76 PHE . 30017 1 77 77 GLU . 30017 1 78 78 GLU . 30017 1 79 79 PHE . 30017 1 80 80 ILE . 30017 1 81 81 MET . 30017 1 82 82 LEU . 30017 1 83 83 MET . 30017 1 84 84 ALA . 30017 1 85 85 ARG . 30017 1 86 86 LEU . 30017 1 87 87 THR . 30017 1 88 88 TRP . 30017 1 89 89 ALA . 30017 1 90 90 SER . 30017 1 91 91 HIS . 30017 1 92 92 GLU . 30017 1 93 93 LYS . 30017 1 94 94 MET . 30017 1 95 95 HIS . 30017 1 96 96 GLU . 30017 1 97 97 GLY . 30017 1 98 98 ASP . 30017 1 99 99 GLU . 30017 1 100 100 GLY . 30017 1 101 101 PRO . 30017 1 102 102 GLY . 30017 1 103 103 HIS . 30017 1 104 104 HIS . 30017 1 105 105 HIS . 30017 1 106 106 LYS . 30017 1 107 107 PRO . 30017 1 108 108 GLY . 30017 1 109 109 LEU . 30017 1 110 110 GLY . 30017 1 111 111 GLU . 30017 1 112 112 GLY . 30017 1 113 113 THR . 30017 1 114 114 PRO . 30017 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 30017 1 . THR 2 2 30017 1 . SER 3 3 30017 1 . LYS 4 4 30017 1 . MET 5 5 30017 1 . SER 6 6 30017 1 . GLN 7 7 30017 1 . LEU 8 8 30017 1 . GLU 9 9 30017 1 . ARG 10 10 30017 1 . ASN 11 11 30017 1 . ILE 12 12 30017 1 . GLU 13 13 30017 1 . THR 14 14 30017 1 . ILE 15 15 30017 1 . ILE 16 16 30017 1 . ASN 17 17 30017 1 . THR 18 18 30017 1 . PHE 19 19 30017 1 . HIS 20 20 30017 1 . GLN 21 21 30017 1 . TYR 22 22 30017 1 . SER 23 23 30017 1 . VAL 24 24 30017 1 . LYS 25 25 30017 1 . LEU 26 26 30017 1 . GLY 27 27 30017 1 . HIS 28 28 30017 1 . PRO 29 29 30017 1 . ASP 30 30 30017 1 . THR 31 31 30017 1 . LEU 32 32 30017 1 . ASN 33 33 30017 1 . GLN 34 34 30017 1 . GLY 35 35 30017 1 . GLU 36 36 30017 1 . PHE 37 37 30017 1 . LYS 38 38 30017 1 . GLU 39 39 30017 1 . LEU 40 40 30017 1 . VAL 41 41 30017 1 . ARG 42 42 30017 1 . LYS 43 43 30017 1 . ASP 44 44 30017 1 . LEU 45 45 30017 1 . GLN 46 46 30017 1 . ASN 47 47 30017 1 . PHE 48 48 30017 1 . LEU 49 49 30017 1 . LYS 50 50 30017 1 . LYS 51 51 30017 1 . GLU 52 52 30017 1 . ASN 53 53 30017 1 . LYS 54 54 30017 1 . ASN 55 55 30017 1 . GLU 56 56 30017 1 . LYS 57 57 30017 1 . VAL 58 58 30017 1 . ILE 59 59 30017 1 . GLU 60 60 30017 1 . HIS 61 61 30017 1 . ILE 62 62 30017 1 . MET 63 63 30017 1 . GLU 64 64 30017 1 . ASP 65 65 30017 1 . LEU 66 66 30017 1 . ASP 67 67 30017 1 . THR 68 68 30017 1 . ASN 69 69 30017 1 . ALA 70 70 30017 1 . ASP 71 71 30017 1 . LYS 72 72 30017 1 . GLN 73 73 30017 1 . LEU 74 74 30017 1 . SER 75 75 30017 1 . PHE 76 76 30017 1 . GLU 77 77 30017 1 . GLU 78 78 30017 1 . PHE 79 79 30017 1 . ILE 80 80 30017 1 . MET 81 81 30017 1 . LEU 82 82 30017 1 . MET 83 83 30017 1 . ALA 84 84 30017 1 . ARG 85 85 30017 1 . LEU 86 86 30017 1 . THR 87 87 30017 1 . TRP 88 88 30017 1 . ALA 89 89 30017 1 . SER 90 90 30017 1 . HIS 91 91 30017 1 . GLU 92 92 30017 1 . LYS 93 93 30017 1 . MET 94 94 30017 1 . HIS 95 95 30017 1 . GLU 96 96 30017 1 . GLY 97 97 30017 1 . ASP 98 98 30017 1 . GLU 99 99 30017 1 . GLY 100 100 30017 1 . PRO 101 101 30017 1 . GLY 102 102 30017 1 . HIS 103 103 30017 1 . HIS 104 104 30017 1 . HIS 105 105 30017 1 . LYS 106 106 30017 1 . PRO 107 107 30017 1 . GLY 108 108 30017 1 . LEU 109 109 30017 1 . GLY 110 110 30017 1 . GLU 111 111 30017 1 . GLY 112 112 30017 1 . THR 113 113 30017 1 . PRO 114 114 30017 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 30017 _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 . . . . . . . . . . . 'S100A9, CAGB, CFAG, MRP14' . 30017 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 30017 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' "Escherichia coli 'BL21-Gold(DE3)pLysS AG'" . . 866768 . . 'BL21-Gold(DE3)pLysS AG' . . vector . . pET21b . . . 30017 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30017 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '50 mM TRIS, 100 mM sodium chloride, 2 mM calcium chloride, 2 mM [U-13C; U-15N] S100A9 protein (C3S), 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'S100A9 protein (C3S)' '[U-13C; U-15N]' . . 1 $entity_1 . . 2 . . mM 0.2 . . . 30017 1 2 TRIS 'natural abundance' . . . . . . 50 . . mM 0.2 . . . 30017 1 3 'calcium chloride' 'natural abundance' . . . . . . 2 . . mM 0.2 . . . 30017 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 0.2 . . . 30017 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 30017 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 30017 1 pH 7.5 0.05 pH 30017 1 pressure 1 0.01 atm 30017 1 temperature 310 0.2 K 30017 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30017 _Software.ID 1 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 30017 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 30017 1 refinement 30017 1 'structure calculation' 30017 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30017 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30017 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30017 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30017 _Software.ID 3 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 30017 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30017 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30017 _Software.ID 4 _Software.Name Vnmrj _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 30017 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30017 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 30017 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 30017 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian VNMRS . 700 . . . 30017 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 30017 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30017 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30017 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30017 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30017 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30017 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30017 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30017 1 8 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30017 1 9 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30017 1 10 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30017 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30017 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30017 1 13 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30017 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 30017 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30017 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30017 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30017 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 30017 _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 'Systematic chemical shift offset: 13C isotope effect for all 13C shifts.' _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 2 '3D HNCA' . . . 30017 1 3 '3D HN(CO)CA' . . . 30017 1 4 '3D HNCACB' . . . 30017 1 5 '3D CBCA(CO)NH' . . . 30017 1 6 '3D HCCH-TOCSY' . . . 30017 1 8 '3D C(CO)NH' . . . 30017 1 9 '3D HN(CA)CO' . . . 30017 1 10 '3D HNCO' . . . 30017 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 30017 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.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 4 4 LYS HA H 1 4.413 . . 1 . . 1 A 4 LYS HA . 30017 1 2 . 1 1 4 4 LYS HB2 H 1 1.674 . . 1 . . 1 A 4 LYS HB2 . 30017 1 3 . 1 1 4 4 LYS HB3 H 1 1.674 . . 1 . . 1 A 4 LYS HB3 . 30017 1 4 . 1 1 4 4 LYS HG2 H 1 1.469 . . 1 . . 1 A 4 LYS HG2 . 30017 1 5 . 1 1 4 4 LYS HG3 H 1 1.469 . . 1 . . 1 A 4 LYS HG3 . 30017 1 6 . 1 1 4 4 LYS HD2 H 1 1.674 . . 1 . . 1 A 4 LYS HD2 . 30017 1 7 . 1 1 4 4 LYS HD3 H 1 1.674 . . 1 . . 1 A 4 LYS HD3 . 30017 1 8 . 1 1 4 4 LYS HE2 H 1 2.914 . . 1 . . 1 A 4 LYS HE2 . 30017 1 9 . 1 1 4 4 LYS HE3 H 1 2.914 . . 1 . . 1 A 4 LYS HE3 . 30017 1 10 . 1 1 4 4 LYS C C 13 176.424 . . 1 . . 1 A 4 LYS C . 30017 1 11 . 1 1 4 4 LYS CA C 13 56.143 . . 1 . . 1 A 4 LYS CA . 30017 1 12 . 1 1 4 4 LYS CB C 13 32.97 . . 1 . . 1 A 4 LYS CB . 30017 1 13 . 1 1 4 4 LYS CG C 13 24.944 . . 1 . . 1 A 4 LYS CG . 30017 1 14 . 1 1 4 4 LYS CD C 13 29.195 . . 1 . . 1 A 4 LYS CD . 30017 1 15 . 1 1 4 4 LYS CE C 13 42.707 . . 1 . . 1 A 4 LYS CE . 30017 1 16 . 1 1 5 5 MET H H 1 8.265 . . 1 . . 1 A 5 MET H . 30017 1 17 . 1 1 5 5 MET HA H 1 4.424 . . 1 . . 1 A 5 MET HA . 30017 1 18 . 1 1 5 5 MET HB2 H 1 2.188 . . 1 . . 1 A 5 MET HB2 . 30017 1 19 . 1 1 5 5 MET HB3 H 1 2.188 . . 1 . . 1 A 5 MET HB3 . 30017 1 20 . 1 1 5 5 MET HG2 H 1 2.504 . . 1 . . 1 A 5 MET HG2 . 30017 1 21 . 1 1 5 5 MET HG3 H 1 2.504 . . 1 . . 1 A 5 MET HG3 . 30017 1 22 . 1 1 5 5 MET HE1 H 1 1.927 . . 1 . . 1 A 5 MET HE1 . 30017 1 23 . 1 1 5 5 MET HE2 H 1 1.927 . . 1 . . 1 A 5 MET HE2 . 30017 1 24 . 1 1 5 5 MET HE3 H 1 1.927 . . 1 . . 1 A 5 MET HE3 . 30017 1 25 . 1 1 5 5 MET C C 13 176.924 . . 1 . . 1 A 5 MET C . 30017 1 26 . 1 1 5 5 MET CA C 13 55.893 . . 1 . . 1 A 5 MET CA . 30017 1 27 . 1 1 5 5 MET CB C 13 34.895 . . 1 . . 1 A 5 MET CB . 30017 1 28 . 1 1 5 5 MET CG C 13 32.656 . . 1 . . 1 A 5 MET CG . 30017 1 29 . 1 1 5 5 MET CE C 13 21.321 . . 1 . . 1 A 5 MET CE . 30017 1 30 . 1 1 5 5 MET N N 15 118.917 . . 1 . . 1 A 5 MET N . 30017 1 31 . 1 1 6 6 SER H H 1 9.75 . . 1 . . 1 A 6 SER H . 30017 1 32 . 1 1 6 6 SER HA H 1 4.58 . . 1 . . 1 A 6 SER HA . 30017 1 33 . 1 1 6 6 SER HB2 H 1 3.388 . . 1 . . 1 A 6 SER HB2 . 30017 1 34 . 1 1 6 6 SER HB3 H 1 3.388 . . 1 . . 1 A 6 SER HB3 . 30017 1 35 . 1 1 6 6 SER C C 13 174.902 . . 1 . . 1 A 6 SER C . 30017 1 36 . 1 1 6 6 SER CA C 13 57.28 . . 1 . . 1 A 6 SER CA . 30017 1 37 . 1 1 6 6 SER CB C 13 65.449 . . 1 . . 1 A 6 SER CB . 30017 1 38 . 1 1 6 6 SER N N 15 119.101 . . 1 . . 1 A 6 SER N . 30017 1 39 . 1 1 7 7 GLN H H 1 8.954 . . 1 . . 1 A 7 GLN H . 30017 1 40 . 1 1 7 7 GLN HA H 1 4.045 . . 1 . . 1 A 7 GLN HA . 30017 1 41 . 1 1 7 7 GLN HB2 H 1 2.191 . . 1 . . 1 A 7 GLN HB2 . 30017 1 42 . 1 1 7 7 GLN HB3 H 1 2.191 . . 1 . . 1 A 7 GLN HB3 . 30017 1 43 . 1 1 7 7 GLN HG2 H 1 2.419 . . 1 . . 1 A 7 GLN HG2 . 30017 1 44 . 1 1 7 7 GLN HG3 H 1 2.419 . . 1 . . 1 A 7 GLN HG3 . 30017 1 45 . 1 1 7 7 GLN C C 13 178.554 . . 1 . . 1 A 7 GLN C . 30017 1 46 . 1 1 7 7 GLN CA C 13 59.668 . . 1 . . 1 A 7 GLN CA . 30017 1 47 . 1 1 7 7 GLN CB C 13 28.737 . . 1 . . 1 A 7 GLN CB . 30017 1 48 . 1 1 7 7 GLN CG C 13 34.135 . . 1 . . 1 A 7 GLN CG . 30017 1 49 . 1 1 7 7 GLN N N 15 118.557 . . 1 . . 1 A 7 GLN N . 30017 1 50 . 1 1 8 8 LEU H H 1 8.698 . . 1 . . 1 A 8 LEU H . 30017 1 51 . 1 1 8 8 LEU HA H 1 4.318 . . 1 . . 1 A 8 LEU HA . 30017 1 52 . 1 1 8 8 LEU HB2 H 1 1.994 . . 1 . . 1 A 8 LEU HB2 . 30017 1 53 . 1 1 8 8 LEU HB3 H 1 1.994 . . 1 . . 1 A 8 LEU HB3 . 30017 1 54 . 1 1 8 8 LEU HG H 1 1.776 . . 1 . . 1 A 8 LEU HG . 30017 1 55 . 1 1 8 8 LEU HD11 H 1 1.009 . . 1 . . 1 A 8 LEU HD11 . 30017 1 56 . 1 1 8 8 LEU HD12 H 1 1.009 . . 1 . . 1 A 8 LEU HD12 . 30017 1 57 . 1 1 8 8 LEU HD13 H 1 1.009 . . 1 . . 1 A 8 LEU HD13 . 30017 1 58 . 1 1 8 8 LEU HD21 H 1 1.009 . . 1 . . 1 A 8 LEU HD21 . 30017 1 59 . 1 1 8 8 LEU HD22 H 1 1.009 . . 1 . . 1 A 8 LEU HD22 . 30017 1 60 . 1 1 8 8 LEU HD23 H 1 1.009 . . 1 . . 1 A 8 LEU HD23 . 30017 1 61 . 1 1 8 8 LEU C C 13 178.527 . . 1 . . 1 A 8 LEU C . 30017 1 62 . 1 1 8 8 LEU CA C 13 58.665 . . 1 . . 1 A 8 LEU CA . 30017 1 63 . 1 1 8 8 LEU CB C 13 41.524 . . 1 . . 1 A 8 LEU CB . 30017 1 64 . 1 1 8 8 LEU CG C 13 26.939 . . 1 . . 1 A 8 LEU CG . 30017 1 65 . 1 1 8 8 LEU CD1 C 13 24.043 . . 1 . . 1 A 8 LEU CD1 . 30017 1 66 . 1 1 8 8 LEU CD2 C 13 24.043 . . 1 . . 1 A 8 LEU CD2 . 30017 1 67 . 1 1 8 8 LEU N N 15 119.566 . . 1 . . 1 A 8 LEU N . 30017 1 68 . 1 1 9 9 GLU H H 1 8.189 . . 1 . . 1 A 9 GLU H . 30017 1 69 . 1 1 9 9 GLU HA H 1 3.524 . . 1 . . 1 A 9 GLU HA . 30017 1 70 . 1 1 9 9 GLU HB2 H 1 2.111 . . 1 . . 1 A 9 GLU HB2 . 30017 1 71 . 1 1 9 9 GLU HB3 H 1 2.111 . . 1 . . 1 A 9 GLU HB3 . 30017 1 72 . 1 1 9 9 GLU HG2 H 1 2.307 . . 1 . . 1 A 9 GLU HG2 . 30017 1 73 . 1 1 9 9 GLU HG3 H 1 2.307 . . 1 . . 1 A 9 GLU HG3 . 30017 1 74 . 1 1 9 9 GLU C C 13 178.58 . . 1 . . 1 A 9 GLU C . 30017 1 75 . 1 1 9 9 GLU CA C 13 60.095 . . 1 . . 1 A 9 GLU CA . 30017 1 76 . 1 1 9 9 GLU CB C 13 29.535 . . 1 . . 1 A 9 GLU CB . 30017 1 77 . 1 1 9 9 GLU CG C 13 39.15 . . 1 . . 1 A 9 GLU CG . 30017 1 78 . 1 1 9 9 GLU N N 15 116.783 . . 1 . . 1 A 9 GLU N . 30017 1 79 . 1 1 10 10 ARG H H 1 8.39 . . 1 . . 1 A 10 ARG H . 30017 1 80 . 1 1 10 10 ARG HA H 1 4.065 . . 1 . . 1 A 10 ARG HA . 30017 1 81 . 1 1 10 10 ARG HB2 H 1 1.946 . . 1 . . 1 A 10 ARG HB2 . 30017 1 82 . 1 1 10 10 ARG HB3 H 1 1.946 . . 1 . . 1 A 10 ARG HB3 . 30017 1 83 . 1 1 10 10 ARG HG2 H 1 1.834 . . 1 . . 1 A 10 ARG HG2 . 30017 1 84 . 1 1 10 10 ARG HG3 H 1 1.834 . . 1 . . 1 A 10 ARG HG3 . 30017 1 85 . 1 1 10 10 ARG HD2 H 1 3.214 . . 1 . . 1 A 10 ARG HD2 . 30017 1 86 . 1 1 10 10 ARG HD3 H 1 3.214 . . 1 . . 1 A 10 ARG HD3 . 30017 1 87 . 1 1 10 10 ARG C C 13 179.707 . . 1 . . 1 A 10 ARG C . 30017 1 88 . 1 1 10 10 ARG CA C 13 59.463 . . 1 . . 1 A 10 ARG CA . 30017 1 89 . 1 1 10 10 ARG CB C 13 30.139 . . 1 . . 1 A 10 ARG CB . 30017 1 90 . 1 1 10 10 ARG CG C 13 28.085 . . 1 . . 1 A 10 ARG CG . 30017 1 91 . 1 1 10 10 ARG CD C 13 43.402 . . 1 . . 1 A 10 ARG CD . 30017 1 92 . 1 1 10 10 ARG N N 15 115.698 . . 1 . . 1 A 10 ARG N . 30017 1 93 . 1 1 11 11 ASN H H 1 8.621 . . 1 . . 1 A 11 ASN H . 30017 1 94 . 1 1 11 11 ASN HA H 1 4.812 . . 1 . . 1 A 11 ASN HA . 30017 1 95 . 1 1 11 11 ASN HB2 H 1 3.1 . . 1 . . 1 A 11 ASN HB2 . 30017 1 96 . 1 1 11 11 ASN HB3 H 1 3.1 . . 1 . . 1 A 11 ASN HB3 . 30017 1 97 . 1 1 11 11 ASN C C 13 177.335 . . 1 . . 1 A 11 ASN C . 30017 1 98 . 1 1 11 11 ASN CA C 13 57.2 . . 1 . . 1 A 11 ASN CA . 30017 1 99 . 1 1 11 11 ASN CB C 13 40.715 . . 1 . . 1 A 11 ASN CB . 30017 1 100 . 1 1 11 11 ASN N N 15 117.662 . . 1 . . 1 A 11 ASN N . 30017 1 101 . 1 1 12 12 ILE H H 1 8.52 . . 1 . . 1 A 12 ILE H . 30017 1 102 . 1 1 12 12 ILE HA H 1 3.741 . . 1 . . 1 A 12 ILE HA . 30017 1 103 . 1 1 12 12 ILE HB H 1 2.055 . . 1 . . 1 A 12 ILE HB . 30017 1 104 . 1 1 12 12 ILE HG12 H 1 1.66 . . 1 . . 1 A 12 ILE HG12 . 30017 1 105 . 1 1 12 12 ILE HG13 H 1 1.66 . . 1 . . 1 A 12 ILE HG13 . 30017 1 106 . 1 1 12 12 ILE HG21 H 1 0.887 . . 1 . . 1 A 12 ILE HG21 . 30017 1 107 . 1 1 12 12 ILE HG22 H 1 0.887 . . 1 . . 1 A 12 ILE HG22 . 30017 1 108 . 1 1 12 12 ILE HG23 H 1 0.887 . . 1 . . 1 A 12 ILE HG23 . 30017 1 109 . 1 1 12 12 ILE HD11 H 1 0.887 . . 1 . . 1 A 12 ILE HD11 . 30017 1 110 . 1 1 12 12 ILE HD12 H 1 0.887 . . 1 . . 1 A 12 ILE HD12 . 30017 1 111 . 1 1 12 12 ILE HD13 H 1 0.887 . . 1 . . 1 A 12 ILE HD13 . 30017 1 112 . 1 1 12 12 ILE C C 13 177.445 . . 1 . . 1 A 12 ILE C . 30017 1 113 . 1 1 12 12 ILE CA C 13 66.254 . . 1 . . 1 A 12 ILE CA . 30017 1 114 . 1 1 12 12 ILE CB C 13 38.59 . . 1 . . 1 A 12 ILE CB . 30017 1 115 . 1 1 12 12 ILE CG1 C 13 28.942 . . 1 . . 1 A 12 ILE CG1 . 30017 1 116 . 1 1 12 12 ILE CG2 C 13 17.263 . . 1 . . 1 A 12 ILE CG2 . 30017 1 117 . 1 1 12 12 ILE CD1 C 13 14.278 . . 1 . . 1 A 12 ILE CD1 . 30017 1 118 . 1 1 12 12 ILE N N 15 118.211 . . 1 . . 1 A 12 ILE N . 30017 1 119 . 1 1 13 13 GLU H H 1 8.655 . . 1 . . 1 A 13 GLU H . 30017 1 120 . 1 1 13 13 GLU HA H 1 3.982 . . 1 . . 1 A 13 GLU HA . 30017 1 121 . 1 1 13 13 GLU HB2 H 1 2.336 . . 1 . . 1 A 13 GLU HB2 . 30017 1 122 . 1 1 13 13 GLU HB3 H 1 2.336 . . 1 . . 1 A 13 GLU HB3 . 30017 1 123 . 1 1 13 13 GLU HG2 H 1 2.393 . . 1 . . 1 A 13 GLU HG2 . 30017 1 124 . 1 1 13 13 GLU HG3 H 1 2.393 . . 1 . . 1 A 13 GLU HG3 . 30017 1 125 . 1 1 13 13 GLU C C 13 178.306 . . 1 . . 1 A 13 GLU C . 30017 1 126 . 1 1 13 13 GLU CA C 13 60.254 . . 1 . . 1 A 13 GLU CA . 30017 1 127 . 1 1 13 13 GLU CB C 13 30.217 . . 1 . . 1 A 13 GLU CB . 30017 1 128 . 1 1 13 13 GLU CG C 13 36.473 . . 1 . . 1 A 13 GLU CG . 30017 1 129 . 1 1 13 13 GLU N N 15 117.589 . . 1 . . 1 A 13 GLU N . 30017 1 130 . 1 1 14 14 THR H H 1 8.112 . . 1 . . 1 A 14 THR H . 30017 1 131 . 1 1 14 14 THR HA H 1 4.324 . . 1 . . 1 A 14 THR HA . 30017 1 132 . 1 1 14 14 THR HB H 1 4.004 . . 1 . . 1 A 14 THR HB . 30017 1 133 . 1 1 14 14 THR HG21 H 1 1.278 . . 1 . . 1 A 14 THR HG21 . 30017 1 134 . 1 1 14 14 THR HG22 H 1 1.278 . . 1 . . 1 A 14 THR HG22 . 30017 1 135 . 1 1 14 14 THR HG23 H 1 1.278 . . 1 . . 1 A 14 THR HG23 . 30017 1 136 . 1 1 14 14 THR C C 13 177.433 . . 1 . . 1 A 14 THR C . 30017 1 137 . 1 1 14 14 THR CA C 13 67.11 . . 1 . . 1 A 14 THR CA . 30017 1 138 . 1 1 14 14 THR CB C 13 68.713 . . 1 . . 1 A 14 THR CB . 30017 1 139 . 1 1 14 14 THR CG2 C 13 22.36 . . 1 . . 1 A 14 THR CG2 . 30017 1 140 . 1 1 14 14 THR N N 15 111.78 . . 1 . . 1 A 14 THR N . 30017 1 141 . 1 1 15 15 ILE H H 1 8.049 . . 1 . . 1 A 15 ILE H . 30017 1 142 . 1 1 15 15 ILE HA H 1 4.025 . . 1 . . 1 A 15 ILE HA . 30017 1 143 . 1 1 15 15 ILE HB H 1 1.885 . . 1 . . 1 A 15 ILE HB . 30017 1 144 . 1 1 15 15 ILE HG12 H 1 1.503 . . 1 . . 1 A 15 ILE HG12 . 30017 1 145 . 1 1 15 15 ILE HG13 H 1 1.503 . . 1 . . 1 A 15 ILE HG13 . 30017 1 146 . 1 1 15 15 ILE HG21 H 1 0.505 . . 1 . . 1 A 15 ILE HG21 . 30017 1 147 . 1 1 15 15 ILE HG22 H 1 0.505 . . 1 . . 1 A 15 ILE HG22 . 30017 1 148 . 1 1 15 15 ILE HG23 H 1 0.505 . . 1 . . 1 A 15 ILE HG23 . 30017 1 149 . 1 1 15 15 ILE HD11 H 1 0.416 . . 1 . . 1 A 15 ILE HD11 . 30017 1 150 . 1 1 15 15 ILE HD12 H 1 0.416 . . 1 . . 1 A 15 ILE HD12 . 30017 1 151 . 1 1 15 15 ILE HD13 H 1 0.416 . . 1 . . 1 A 15 ILE HD13 . 30017 1 152 . 1 1 15 15 ILE C C 13 177.406 . . 1 . . 1 A 15 ILE C . 30017 1 153 . 1 1 15 15 ILE CA C 13 66.879 . . 1 . . 1 A 15 ILE CA . 30017 1 154 . 1 1 15 15 ILE CB C 13 37.168 . . 1 . . 1 A 15 ILE CB . 30017 1 155 . 1 1 15 15 ILE CG1 C 13 30.292 . . 1 . . 1 A 15 ILE CG1 . 30017 1 156 . 1 1 15 15 ILE CG2 C 13 17.098 . . 1 . . 1 A 15 ILE CG2 . 30017 1 157 . 1 1 15 15 ILE CD1 C 13 13.692 . . 1 . . 1 A 15 ILE CD1 . 30017 1 158 . 1 1 15 15 ILE N N 15 123.37 . . 1 . . 1 A 15 ILE N . 30017 1 159 . 1 1 16 16 ILE H H 1 8.135 . . 1 . . 1 A 16 ILE H . 30017 1 160 . 1 1 16 16 ILE HA H 1 3.435 . . 1 . . 1 A 16 ILE HA . 30017 1 161 . 1 1 16 16 ILE HB H 1 1.732 . . 1 . . 1 A 16 ILE HB . 30017 1 162 . 1 1 16 16 ILE HG12 H 1 1.595 . . 1 . . 1 A 16 ILE HG12 . 30017 1 163 . 1 1 16 16 ILE HG13 H 1 1.595 . . 1 . . 1 A 16 ILE HG13 . 30017 1 164 . 1 1 16 16 ILE HG21 H 1 0.546 . . 1 . . 1 A 16 ILE HG21 . 30017 1 165 . 1 1 16 16 ILE HG22 H 1 0.546 . . 1 . . 1 A 16 ILE HG22 . 30017 1 166 . 1 1 16 16 ILE HG23 H 1 0.546 . . 1 . . 1 A 16 ILE HG23 . 30017 1 167 . 1 1 16 16 ILE HD11 H 1 0.45 . . 1 . . 1 A 16 ILE HD11 . 30017 1 168 . 1 1 16 16 ILE HD12 H 1 0.45 . . 1 . . 1 A 16 ILE HD12 . 30017 1 169 . 1 1 16 16 ILE HD13 H 1 0.45 . . 1 . . 1 A 16 ILE HD13 . 30017 1 170 . 1 1 16 16 ILE C C 13 178.12 . . 1 . . 1 A 16 ILE C . 30017 1 171 . 1 1 16 16 ILE CA C 13 66.19 . . 1 . . 1 A 16 ILE CA . 30017 1 172 . 1 1 16 16 ILE CB C 13 38.156 . . 1 . . 1 A 16 ILE CB . 30017 1 173 . 1 1 16 16 ILE CG1 C 13 30.055 . . 1 . . 1 A 16 ILE CG1 . 30017 1 174 . 1 1 16 16 ILE CG2 C 13 16.888 . . 1 . . 1 A 16 ILE CG2 . 30017 1 175 . 1 1 16 16 ILE CD1 C 13 14.449 . . 1 . . 1 A 16 ILE CD1 . 30017 1 176 . 1 1 16 16 ILE N N 15 118.597 . . 1 . . 1 A 16 ILE N . 30017 1 177 . 1 1 17 17 ASN H H 1 8.674 . . 1 . . 1 A 17 ASN H . 30017 1 178 . 1 1 17 17 ASN HA H 1 4.608 . . 1 . . 1 A 17 ASN HA . 30017 1 179 . 1 1 17 17 ASN HB2 H 1 2.959 . . 1 . . 1 A 17 ASN HB2 . 30017 1 180 . 1 1 17 17 ASN HB3 H 1 2.959 . . 1 . . 1 A 17 ASN HB3 . 30017 1 181 . 1 1 17 17 ASN C C 13 178.63 . . 1 . . 1 A 17 ASN C . 30017 1 182 . 1 1 17 17 ASN CA C 13 56.39 . . 1 . . 1 A 17 ASN CA . 30017 1 183 . 1 1 17 17 ASN CB C 13 38.151 . . 1 . . 1 A 17 ASN CB . 30017 1 184 . 1 1 17 17 ASN N N 15 116.031 . . 1 . . 1 A 17 ASN N . 30017 1 185 . 1 1 18 18 THR H H 1 8.666 . . 1 . . 1 A 18 THR H . 30017 1 186 . 1 1 18 18 THR HA H 1 4.028 . . 1 . . 1 A 18 THR HA . 30017 1 187 . 1 1 18 18 THR HB H 1 4.675 . . 1 . . 1 A 18 THR HB . 30017 1 188 . 1 1 18 18 THR HG21 H 1 1.476 . . 1 . . 1 A 18 THR HG21 . 30017 1 189 . 1 1 18 18 THR HG22 H 1 1.476 . . 1 . . 1 A 18 THR HG22 . 30017 1 190 . 1 1 18 18 THR HG23 H 1 1.476 . . 1 . . 1 A 18 THR HG23 . 30017 1 191 . 1 1 18 18 THR C C 13 175.481 . . 1 . . 1 A 18 THR C . 30017 1 192 . 1 1 18 18 THR CA C 13 67.501 . . 1 . . 1 A 18 THR CA . 30017 1 193 . 1 1 18 18 THR CB C 13 68.046 . . 1 . . 1 A 18 THR CB . 30017 1 194 . 1 1 18 18 THR CG2 C 13 21.733 . . 1 . . 1 A 18 THR CG2 . 30017 1 195 . 1 1 18 18 THR N N 15 116.694 . . 1 . . 1 A 18 THR N . 30017 1 196 . 1 1 19 19 PHE H H 1 8.479 . . 1 . . 1 A 19 PHE H . 30017 1 197 . 1 1 19 19 PHE HA H 1 4.069 . . 1 . . 1 A 19 PHE HA . 30017 1 198 . 1 1 19 19 PHE HB2 H 1 2.883 . . 1 . . 1 A 19 PHE HB2 . 30017 1 199 . 1 1 19 19 PHE HB3 H 1 2.883 . . 1 . . 1 A 19 PHE HB3 . 30017 1 200 . 1 1 19 19 PHE C C 13 176.985 . . 1 . . 1 A 19 PHE C . 30017 1 201 . 1 1 19 19 PHE CA C 13 63.322 . . 1 . . 1 A 19 PHE CA . 30017 1 202 . 1 1 19 19 PHE CB C 13 39.102 . . 1 . . 1 A 19 PHE CB . 30017 1 203 . 1 1 19 19 PHE N N 15 119.399 . . 1 . . 1 A 19 PHE N . 30017 1 204 . 1 1 20 20 HIS H H 1 8.081 . . 1 . . 1 A 20 HIS H . 30017 1 205 . 1 1 20 20 HIS HA H 1 5.064 . . 1 . . 1 A 20 HIS HA . 30017 1 206 . 1 1 20 20 HIS HB2 H 1 3.247 . . 1 . . 1 A 20 HIS HB2 . 30017 1 207 . 1 1 20 20 HIS HB3 H 1 3.247 . . 1 . . 1 A 20 HIS HB3 . 30017 1 208 . 1 1 20 20 HIS C C 13 176.701 . . 1 . . 1 A 20 HIS C . 30017 1 209 . 1 1 20 20 HIS CA C 13 57.903 . . 1 . . 1 A 20 HIS CA . 30017 1 210 . 1 1 20 20 HIS CB C 13 29.408 . . 1 . . 1 A 20 HIS CB . 30017 1 211 . 1 1 20 20 HIS N N 15 114.274 . . 1 . . 1 A 20 HIS N . 30017 1 212 . 1 1 21 21 GLN H H 1 8.054 . . 1 . . 1 A 21 GLN H . 30017 1 213 . 1 1 21 21 GLN HA H 1 3.885 . . 1 . . 1 A 21 GLN HA . 30017 1 214 . 1 1 21 21 GLN HB2 H 1 2.155 . . 1 . . 1 A 21 GLN HB2 . 30017 1 215 . 1 1 21 21 GLN HB3 H 1 2.155 . . 1 . . 1 A 21 GLN HB3 . 30017 1 216 . 1 1 21 21 GLN HG2 H 1 2.239 . . 1 . . 1 A 21 GLN HG2 . 30017 1 217 . 1 1 21 21 GLN HG3 H 1 2.239 . . 1 . . 1 A 21 GLN HG3 . 30017 1 218 . 1 1 21 21 GLN C C 13 177.501 . . 1 . . 1 A 21 GLN C . 30017 1 219 . 1 1 21 21 GLN CA C 13 58.585 . . 1 . . 1 A 21 GLN CA . 30017 1 220 . 1 1 21 21 GLN CB C 13 28.406 . . 1 . . 1 A 21 GLN CB . 30017 1 221 . 1 1 21 21 GLN CG C 13 33.701 . . 1 . . 1 A 21 GLN CG . 30017 1 222 . 1 1 21 21 GLN N N 15 117.654 . . 1 . . 1 A 21 GLN N . 30017 1 223 . 1 1 22 22 TYR H H 1 7.162 . . 1 . . 1 A 22 TYR H . 30017 1 224 . 1 1 22 22 TYR HA H 1 4.18 . . 1 . . 1 A 22 TYR HA . 30017 1 225 . 1 1 22 22 TYR HB2 H 1 2.561 . . 1 . . 1 A 22 TYR HB2 . 30017 1 226 . 1 1 22 22 TYR HB3 H 1 2.561 . . 1 . . 1 A 22 TYR HB3 . 30017 1 227 . 1 1 22 22 TYR C C 13 177.146 . . 1 . . 1 A 22 TYR C . 30017 1 228 . 1 1 22 22 TYR CA C 13 61.231 . . 1 . . 1 A 22 TYR CA . 30017 1 229 . 1 1 22 22 TYR CB C 13 40.16 . . 1 . . 1 A 22 TYR CB . 30017 1 230 . 1 1 22 22 TYR N N 15 111.078 . . 1 . . 1 A 22 TYR N . 30017 1 231 . 1 1 23 23 SER H H 1 8.635 . . 1 . . 1 A 23 SER H . 30017 1 232 . 1 1 23 23 SER HA H 1 3.548 . . 1 . . 1 A 23 SER HA . 30017 1 233 . 1 1 23 23 SER HB2 H 1 4.209 . . 1 . . 1 A 23 SER HB2 . 30017 1 234 . 1 1 23 23 SER HB3 H 1 4.209 . . 1 . . 1 A 23 SER HB3 . 30017 1 235 . 1 1 23 23 SER C C 13 177.184 . . 1 . . 1 A 23 SER C . 30017 1 236 . 1 1 23 23 SER CA C 13 62.328 . . 1 . . 1 A 23 SER CA . 30017 1 237 . 1 1 23 23 SER CB C 13 61.791 . . 1 . . 1 A 23 SER CB . 30017 1 238 . 1 1 23 23 SER N N 15 112.03 . . 1 . . 1 A 23 SER N . 30017 1 239 . 1 1 24 24 VAL H H 1 7.16 . . 1 . . 1 A 24 VAL H . 30017 1 240 . 1 1 24 24 VAL HA H 1 4.199 . . 1 . . 1 A 24 VAL HA . 30017 1 241 . 1 1 24 24 VAL HB H 1 2.362 . . 1 . . 1 A 24 VAL HB . 30017 1 242 . 1 1 24 24 VAL HG11 H 1 0.927 . . 1 . . 1 A 24 VAL HG11 . 30017 1 243 . 1 1 24 24 VAL HG12 H 1 0.927 . . 1 . . 1 A 24 VAL HG12 . 30017 1 244 . 1 1 24 24 VAL HG13 H 1 0.927 . . 1 . . 1 A 24 VAL HG13 . 30017 1 245 . 1 1 24 24 VAL HG21 H 1 0.927 . . 1 . . 1 A 24 VAL HG21 . 30017 1 246 . 1 1 24 24 VAL HG22 H 1 0.927 . . 1 . . 1 A 24 VAL HG22 . 30017 1 247 . 1 1 24 24 VAL HG23 H 1 0.927 . . 1 . . 1 A 24 VAL HG23 . 30017 1 248 . 1 1 24 24 VAL C C 13 176.866 . . 1 . . 1 A 24 VAL C . 30017 1 249 . 1 1 24 24 VAL CA C 13 62.48 . . 1 . . 1 A 24 VAL CA . 30017 1 250 . 1 1 24 24 VAL CB C 13 32.616 . . 1 . . 1 A 24 VAL CB . 30017 1 251 . 1 1 24 24 VAL CG1 C 13 19.383 . . 1 . . 1 A 24 VAL CG1 . 30017 1 252 . 1 1 24 24 VAL CG2 C 13 19.383 . . 1 . . 1 A 24 VAL CG2 . 30017 1 253 . 1 1 24 24 VAL N N 15 114.445 . . 1 . . 1 A 24 VAL N . 30017 1 254 . 1 1 25 25 LYS H H 1 7.277 . . 1 . . 1 A 25 LYS H . 30017 1 255 . 1 1 25 25 LYS HA H 1 3.798 . . 1 . . 1 A 25 LYS HA . 30017 1 256 . 1 1 25 25 LYS HB2 H 1 1.949 . . 1 . . 1 A 25 LYS HB2 . 30017 1 257 . 1 1 25 25 LYS HB3 H 1 1.949 . . 1 . . 1 A 25 LYS HB3 . 30017 1 258 . 1 1 25 25 LYS HG2 H 1 1.37 . . 1 . . 1 A 25 LYS HG2 . 30017 1 259 . 1 1 25 25 LYS HG3 H 1 1.37 . . 1 . . 1 A 25 LYS HG3 . 30017 1 260 . 1 1 25 25 LYS HD2 H 1 1.793 . . 1 . . 1 A 25 LYS HD2 . 30017 1 261 . 1 1 25 25 LYS HD3 H 1 1.793 . . 1 . . 1 A 25 LYS HD3 . 30017 1 262 . 1 1 25 25 LYS HE2 H 1 2.805 . . 1 . . 1 A 25 LYS HE2 . 30017 1 263 . 1 1 25 25 LYS HE3 H 1 2.805 . . 1 . . 1 A 25 LYS HE3 . 30017 1 264 . 1 1 25 25 LYS C C 13 177.328 . . 1 . . 1 A 25 LYS C . 30017 1 265 . 1 1 25 25 LYS CA C 13 61.226 . . 1 . . 1 A 25 LYS CA . 30017 1 266 . 1 1 25 25 LYS CB C 13 33.338 . . 1 . . 1 A 25 LYS CB . 30017 1 267 . 1 1 25 25 LYS CG C 13 26.529 . . 1 . . 1 A 25 LYS CG . 30017 1 268 . 1 1 25 25 LYS CD C 13 29.629 . . 1 . . 1 A 25 LYS CD . 30017 1 269 . 1 1 25 25 LYS CE C 13 41.803 . . 1 . . 1 A 25 LYS CE . 30017 1 270 . 1 1 25 25 LYS N N 15 120.021 . . 1 . . 1 A 25 LYS N . 30017 1 271 . 1 1 26 26 LEU H H 1 9.803 . . 1 . . 1 A 26 LEU H . 30017 1 272 . 1 1 26 26 LEU C C 13 177.86 . . 1 . . 1 A 26 LEU C . 30017 1 273 . 1 1 26 26 LEU CA C 13 53.224 . . 1 . . 1 A 26 LEU CA . 30017 1 274 . 1 1 26 26 LEU CB C 13 46.291 . . 1 . . 1 A 26 LEU CB . 30017 1 275 . 1 1 26 26 LEU N N 15 115.096 . . 1 . . 1 A 26 LEU N . 30017 1 276 . 1 1 29 29 PRO HA H 1 4.774 . . 1 . . 1 A 29 PRO HA . 30017 1 277 . 1 1 29 29 PRO HB2 H 1 2.048 . . 1 . . 1 A 29 PRO HB2 . 30017 1 278 . 1 1 29 29 PRO HB3 H 1 2.048 . . 1 . . 1 A 29 PRO HB3 . 30017 1 279 . 1 1 29 29 PRO HG2 H 1 2.283 . . 1 . . 1 A 29 PRO HG2 . 30017 1 280 . 1 1 29 29 PRO HG3 H 1 2.283 . . 1 . . 1 A 29 PRO HG3 . 30017 1 281 . 1 1 29 29 PRO HD2 H 1 3.728 . . 1 . . 1 A 29 PRO HD2 . 30017 1 282 . 1 1 29 29 PRO HD3 H 1 3.728 . . 1 . . 1 A 29 PRO HD3 . 30017 1 283 . 1 1 29 29 PRO C C 13 176.648 . . 1 . . 1 A 29 PRO C . 30017 1 284 . 1 1 29 29 PRO CA C 13 64.469 . . 1 . . 1 A 29 PRO CA . 30017 1 285 . 1 1 29 29 PRO CB C 13 31.906 . . 1 . . 1 A 29 PRO CB . 30017 1 286 . 1 1 29 29 PRO CG C 13 27.075 . . 1 . . 1 A 29 PRO CG . 30017 1 287 . 1 1 29 29 PRO CD C 13 51.555 . . 1 . . 1 A 29 PRO CD . 30017 1 288 . 1 1 30 30 ASP H H 1 10.295 . . 1 . . 1 A 30 ASP H . 30017 1 289 . 1 1 30 30 ASP HA H 1 5.076 . . 1 . . 1 A 30 ASP HA . 30017 1 290 . 1 1 30 30 ASP HB2 H 1 2.978 . . 1 . . 1 A 30 ASP HB2 . 30017 1 291 . 1 1 30 30 ASP HB3 H 1 2.978 . . 1 . . 1 A 30 ASP HB3 . 30017 1 292 . 1 1 30 30 ASP C C 13 175.344 . . 1 . . 1 A 30 ASP C . 30017 1 293 . 1 1 30 30 ASP CA C 13 54.032 . . 1 . . 1 A 30 ASP CA . 30017 1 294 . 1 1 30 30 ASP CB C 13 42.184 . . 1 . . 1 A 30 ASP CB . 30017 1 295 . 1 1 30 30 ASP N N 15 117.726 . . 1 . . 1 A 30 ASP N . 30017 1 296 . 1 1 31 31 THR H H 1 7.433 . . 1 . . 1 A 31 THR H . 30017 1 297 . 1 1 31 31 THR HA H 1 5.367 . . 1 . . 1 A 31 THR HA . 30017 1 298 . 1 1 31 31 THR HB H 1 3.891 . . 1 . . 1 A 31 THR HB . 30017 1 299 . 1 1 31 31 THR HG21 H 1 0.829 . . 1 . . 1 A 31 THR HG21 . 30017 1 300 . 1 1 31 31 THR HG22 H 1 0.829 . . 1 . . 1 A 31 THR HG22 . 30017 1 301 . 1 1 31 31 THR HG23 H 1 0.829 . . 1 . . 1 A 31 THR HG23 . 30017 1 302 . 1 1 31 31 THR C C 13 174.345 . . 1 . . 1 A 31 THR C . 30017 1 303 . 1 1 31 31 THR CA C 13 58.46 . . 1 . . 1 A 31 THR CA . 30017 1 304 . 1 1 31 31 THR CB C 13 73.142 . . 1 . . 1 A 31 THR CB . 30017 1 305 . 1 1 31 31 THR CG2 C 13 20.574 . . 1 . . 1 A 31 THR CG2 . 30017 1 306 . 1 1 31 31 THR N N 15 103.683 . . 1 . . 1 A 31 THR N . 30017 1 307 . 1 1 32 32 LEU H H 1 9.449 . . 1 . . 1 A 32 LEU H . 30017 1 308 . 1 1 32 32 LEU HA H 1 4.746 . . 1 . . 1 A 32 LEU HA . 30017 1 309 . 1 1 32 32 LEU HB2 H 1 1.424 . . 1 . . 1 A 32 LEU HB2 . 30017 1 310 . 1 1 32 32 LEU HB3 H 1 1.424 . . 1 . . 1 A 32 LEU HB3 . 30017 1 311 . 1 1 32 32 LEU HG H 1 1.946 . . 1 . . 1 A 32 LEU HG . 30017 1 312 . 1 1 32 32 LEU HD11 H 1 0.698 . . 1 . . 1 A 32 LEU HD11 . 30017 1 313 . 1 1 32 32 LEU HD12 H 1 0.698 . . 1 . . 1 A 32 LEU HD12 . 30017 1 314 . 1 1 32 32 LEU HD13 H 1 0.698 . . 1 . . 1 A 32 LEU HD13 . 30017 1 315 . 1 1 32 32 LEU HD21 H 1 0.698 . . 1 . . 1 A 32 LEU HD21 . 30017 1 316 . 1 1 32 32 LEU HD22 H 1 0.698 . . 1 . . 1 A 32 LEU HD22 . 30017 1 317 . 1 1 32 32 LEU HD23 H 1 0.698 . . 1 . . 1 A 32 LEU HD23 . 30017 1 318 . 1 1 32 32 LEU C C 13 176.665 . . 1 . . 1 A 32 LEU C . 30017 1 319 . 1 1 32 32 LEU CA C 13 52.678 . . 1 . . 1 A 32 LEU CA . 30017 1 320 . 1 1 32 32 LEU CB C 13 44.174 . . 1 . . 1 A 32 LEU CB . 30017 1 321 . 1 1 32 32 LEU CG C 13 28.54 . . 1 . . 1 A 32 LEU CG . 30017 1 322 . 1 1 32 32 LEU CD1 C 13 23.838 . . 1 . . 1 A 32 LEU CD1 . 30017 1 323 . 1 1 32 32 LEU CD2 C 13 23.838 . . 1 . . 1 A 32 LEU CD2 . 30017 1 324 . 1 1 32 32 LEU N N 15 122.202 . . 1 . . 1 A 32 LEU N . 30017 1 325 . 1 1 33 33 ASN H H 1 10.086 . . 1 . . 1 A 33 ASN H . 30017 1 326 . 1 1 33 33 ASN HA H 1 4.856 . . 1 . . 1 A 33 ASN HA . 30017 1 327 . 1 1 33 33 ASN HB2 H 1 3.043 . . 1 . . 1 A 33 ASN HB2 . 30017 1 328 . 1 1 33 33 ASN HB3 H 1 3.043 . . 1 . . 1 A 33 ASN HB3 . 30017 1 329 . 1 1 33 33 ASN C C 13 175.055 . . 1 . . 1 A 33 ASN C . 30017 1 330 . 1 1 33 33 ASN CA C 13 50.761 . . 1 . . 1 A 33 ASN CA . 30017 1 331 . 1 1 33 33 ASN CB C 13 37.767 . . 1 . . 1 A 33 ASN CB . 30017 1 332 . 1 1 33 33 ASN N N 15 121.967 . . 1 . . 1 A 33 ASN N . 30017 1 333 . 1 1 34 34 GLN H H 1 8.841 . . 1 . . 1 A 34 GLN H . 30017 1 334 . 1 1 34 34 GLN HA H 1 4.218 . . 1 . . 1 A 34 GLN HA . 30017 1 335 . 1 1 34 34 GLN HB2 H 1 2.161 . . 1 . . 1 A 34 GLN HB2 . 30017 1 336 . 1 1 34 34 GLN HB3 H 1 2.161 . . 1 . . 1 A 34 GLN HB3 . 30017 1 337 . 1 1 34 34 GLN HG2 H 1 2.382 . . 1 . . 1 A 34 GLN HG2 . 30017 1 338 . 1 1 34 34 GLN HG3 H 1 2.382 . . 1 . . 1 A 34 GLN HG3 . 30017 1 339 . 1 1 34 34 GLN C C 13 177.871 . . 1 . . 1 A 34 GLN C . 30017 1 340 . 1 1 34 34 GLN CA C 13 60.702 . . 1 . . 1 A 34 GLN CA . 30017 1 341 . 1 1 34 34 GLN CB C 13 29.424 . . 1 . . 1 A 34 GLN CB . 30017 1 342 . 1 1 34 34 GLN CG C 13 34.533 . . 1 . . 1 A 34 GLN CG . 30017 1 343 . 1 1 34 34 GLN N N 15 115.276 . . 1 . . 1 A 34 GLN N . 30017 1 344 . 1 1 35 35 GLY H H 1 8.127 . . 1 . . 1 A 35 GLY H . 30017 1 345 . 1 1 35 35 GLY HA2 H 1 3.839 . . 1 . . 1 A 35 GLY HA2 . 30017 1 346 . 1 1 35 35 GLY HA3 H 1 3.839 . . 1 . . 1 A 35 GLY HA3 . 30017 1 347 . 1 1 35 35 GLY C C 13 177.192 . . 1 . . 1 A 35 GLY C . 30017 1 348 . 1 1 35 35 GLY CA C 13 47.262 . . 1 . . 1 A 35 GLY CA . 30017 1 349 . 1 1 35 35 GLY N N 15 104.134 . . 1 . . 1 A 35 GLY N . 30017 1 350 . 1 1 36 36 GLU H H 1 8.378 . . 1 . . 1 A 36 GLU H . 30017 1 351 . 1 1 36 36 GLU HA H 1 4.131 . . 1 . . 1 A 36 GLU HA . 30017 1 352 . 1 1 36 36 GLU HB2 H 1 1.946 . . 1 . . 1 A 36 GLU HB2 . 30017 1 353 . 1 1 36 36 GLU HB3 H 1 1.946 . . 1 . . 1 A 36 GLU HB3 . 30017 1 354 . 1 1 36 36 GLU HG2 H 1 2.464 . . 1 . . 1 A 36 GLU HG2 . 30017 1 355 . 1 1 36 36 GLU HG3 H 1 2.464 . . 1 . . 1 A 36 GLU HG3 . 30017 1 356 . 1 1 36 36 GLU C C 13 178.033 . . 1 . . 1 A 36 GLU C . 30017 1 357 . 1 1 36 36 GLU CA C 13 59.205 . . 1 . . 1 A 36 GLU CA . 30017 1 358 . 1 1 36 36 GLU CB C 13 31.426 . . 1 . . 1 A 36 GLU CB . 30017 1 359 . 1 1 36 36 GLU CG C 13 36.433 . . 1 . . 1 A 36 GLU CG . 30017 1 360 . 1 1 36 36 GLU N N 15 120.692 . . 1 . . 1 A 36 GLU N . 30017 1 361 . 1 1 37 37 PHE H H 1 8.77 . . 1 . . 1 A 37 PHE H . 30017 1 362 . 1 1 37 37 PHE HA H 1 4.074 . . 1 . . 1 A 37 PHE HA . 30017 1 363 . 1 1 37 37 PHE HB2 H 1 3.074 . . 1 . . 1 A 37 PHE HB2 . 30017 1 364 . 1 1 37 37 PHE HB3 H 1 3.074 . . 1 . . 1 A 37 PHE HB3 . 30017 1 365 . 1 1 37 37 PHE C C 13 176.274 . . 1 . . 1 A 37 PHE C . 30017 1 366 . 1 1 37 37 PHE CA C 13 61.307 . . 1 . . 1 A 37 PHE CA . 30017 1 367 . 1 1 37 37 PHE CB C 13 39.787 . . 1 . . 1 A 37 PHE CB . 30017 1 368 . 1 1 37 37 PHE N N 15 115.493 . . 1 . . 1 A 37 PHE N . 30017 1 369 . 1 1 38 38 LYS H H 1 8.437 . . 1 . . 1 A 38 LYS H . 30017 1 370 . 1 1 38 38 LYS HA H 1 3.553 . . 1 . . 1 A 38 LYS HA . 30017 1 371 . 1 1 38 38 LYS HB2 H 1 1.885 . . 1 . . 1 A 38 LYS HB2 . 30017 1 372 . 1 1 38 38 LYS HB3 H 1 1.885 . . 1 . . 1 A 38 LYS HB3 . 30017 1 373 . 1 1 38 38 LYS HG2 H 1 1.265 . . 1 . . 1 A 38 LYS HG2 . 30017 1 374 . 1 1 38 38 LYS HG3 H 1 1.265 . . 1 . . 1 A 38 LYS HG3 . 30017 1 375 . 1 1 38 38 LYS HD2 H 1 1.787 . . 1 . . 1 A 38 LYS HD2 . 30017 1 376 . 1 1 38 38 LYS HD3 H 1 1.787 . . 1 . . 1 A 38 LYS HD3 . 30017 1 377 . 1 1 38 38 LYS HE2 H 1 2.743 . . 1 . . 1 A 38 LYS HE2 . 30017 1 378 . 1 1 38 38 LYS HE3 H 1 2.743 . . 1 . . 1 A 38 LYS HE3 . 30017 1 379 . 1 1 38 38 LYS C C 13 178.053 . . 1 . . 1 A 38 LYS C . 30017 1 380 . 1 1 38 38 LYS CA C 13 60.751 . . 1 . . 1 A 38 LYS CA . 30017 1 381 . 1 1 38 38 LYS CB C 13 32.721 . . 1 . . 1 A 38 LYS CB . 30017 1 382 . 1 1 38 38 LYS CG C 13 27.675 . . 1 . . 1 A 38 LYS CG . 30017 1 383 . 1 1 38 38 LYS CD C 13 30.264 . . 1 . . 1 A 38 LYS CD . 30017 1 384 . 1 1 38 38 LYS CE C 13 42.476 . . 1 . . 1 A 38 LYS CE . 30017 1 385 . 1 1 38 38 LYS N N 15 113.997 . . 1 . . 1 A 38 LYS N . 30017 1 386 . 1 1 39 39 GLU H H 1 7.497 . . 1 . . 1 A 39 GLU H . 30017 1 387 . 1 1 39 39 GLU HA H 1 3.844 . . 1 . . 1 A 39 GLU HA . 30017 1 388 . 1 1 39 39 GLU HB2 H 1 2.13 . . 1 . . 1 A 39 GLU HB2 . 30017 1 389 . 1 1 39 39 GLU HB3 H 1 2.13 . . 1 . . 1 A 39 GLU HB3 . 30017 1 390 . 1 1 39 39 GLU HG2 H 1 2.375 . . 1 . . 1 A 39 GLU HG2 . 30017 1 391 . 1 1 39 39 GLU HG3 H 1 2.375 . . 1 . . 1 A 39 GLU HG3 . 30017 1 392 . 1 1 39 39 GLU C C 13 176.705 . . 1 . . 1 A 39 GLU C . 30017 1 393 . 1 1 39 39 GLU CA C 13 59.796 . . 1 . . 1 A 39 GLU CA . 30017 1 394 . 1 1 39 39 GLU CB C 13 29.528 . . 1 . . 1 A 39 GLU CB . 30017 1 395 . 1 1 39 39 GLU CG C 13 36.544 . . 1 . . 1 A 39 GLU CG . 30017 1 396 . 1 1 39 39 GLU N N 15 116.447 . . 1 . . 1 A 39 GLU N . 30017 1 397 . 1 1 40 40 LEU H H 1 7.355 . . 1 . . 1 A 40 LEU H . 30017 1 398 . 1 1 40 40 LEU HA H 1 3.895 . . 1 . . 1 A 40 LEU HA . 30017 1 399 . 1 1 40 40 LEU HB2 H 1 1.277 . . 1 . . 1 A 40 LEU HB2 . 30017 1 400 . 1 1 40 40 LEU HB3 H 1 1.277 . . 1 . . 1 A 40 LEU HB3 . 30017 1 401 . 1 1 40 40 LEU HG H 1 1.122 . . 1 . . 1 A 40 LEU HG . 30017 1 402 . 1 1 40 40 LEU HD11 H 1 0.555 . . 1 . . 1 A 40 LEU HD11 . 30017 1 403 . 1 1 40 40 LEU HD12 H 1 0.555 . . 1 . . 1 A 40 LEU HD12 . 30017 1 404 . 1 1 40 40 LEU HD13 H 1 0.555 . . 1 . . 1 A 40 LEU HD13 . 30017 1 405 . 1 1 40 40 LEU HD21 H 1 0.555 . . 1 . . 1 A 40 LEU HD21 . 30017 1 406 . 1 1 40 40 LEU HD22 H 1 0.555 . . 1 . . 1 A 40 LEU HD22 . 30017 1 407 . 1 1 40 40 LEU HD23 H 1 0.555 . . 1 . . 1 A 40 LEU HD23 . 30017 1 408 . 1 1 40 40 LEU C C 13 179.485 . . 1 . . 1 A 40 LEU C . 30017 1 409 . 1 1 40 40 LEU CA C 13 59.315 . . 1 . . 1 A 40 LEU CA . 30017 1 410 . 1 1 40 40 LEU CB C 13 41.752 . . 1 . . 1 A 40 LEU CB . 30017 1 411 . 1 1 40 40 LEU CG C 13 27.298 . . 1 . . 1 A 40 LEU CG . 30017 1 412 . 1 1 40 40 LEU CD1 C 13 24.867 . . 1 . . 1 A 40 LEU CD1 . 30017 1 413 . 1 1 40 40 LEU CD2 C 13 24.867 . . 1 . . 1 A 40 LEU CD2 . 30017 1 414 . 1 1 40 40 LEU N N 15 118.959 . . 1 . . 1 A 40 LEU N . 30017 1 415 . 1 1 41 41 VAL H H 1 8.019 . . 1 . . 1 A 41 VAL H . 30017 1 416 . 1 1 41 41 VAL HA H 1 4.243 . . 1 . . 1 A 41 VAL HA . 30017 1 417 . 1 1 41 41 VAL HB H 1 2.26 . . 1 . . 1 A 41 VAL HB . 30017 1 418 . 1 1 41 41 VAL HG11 H 1 0.618 . . 1 . . 1 A 41 VAL HG11 . 30017 1 419 . 1 1 41 41 VAL HG12 H 1 0.618 . . 1 . . 1 A 41 VAL HG12 . 30017 1 420 . 1 1 41 41 VAL HG13 H 1 0.618 . . 1 . . 1 A 41 VAL HG13 . 30017 1 421 . 1 1 41 41 VAL HG21 H 1 0.618 . . 1 . . 1 A 41 VAL HG21 . 30017 1 422 . 1 1 41 41 VAL HG22 H 1 0.618 . . 1 . . 1 A 41 VAL HG22 . 30017 1 423 . 1 1 41 41 VAL HG23 H 1 0.618 . . 1 . . 1 A 41 VAL HG23 . 30017 1 424 . 1 1 41 41 VAL C C 13 178.053 . . 1 . . 1 A 41 VAL C . 30017 1 425 . 1 1 41 41 VAL CA C 13 66.103 . . 1 . . 1 A 41 VAL CA . 30017 1 426 . 1 1 41 41 VAL CB C 13 31.585 . . 1 . . 1 A 41 VAL CB . 30017 1 427 . 1 1 41 41 VAL CG1 C 13 21.815 . . 1 . . 1 A 41 VAL CG1 . 30017 1 428 . 1 1 41 41 VAL CG2 C 13 21.815 . . 1 . . 1 A 41 VAL CG2 . 30017 1 429 . 1 1 41 41 VAL N N 15 115.643 . . 1 . . 1 A 41 VAL N . 30017 1 430 . 1 1 42 42 ARG H H 1 7.825 . . 1 . . 1 A 42 ARG H . 30017 1 431 . 1 1 42 42 ARG HA H 1 3.984 . . 1 . . 1 A 42 ARG HA . 30017 1 432 . 1 1 42 42 ARG HB2 H 1 1.868 . . 1 . . 1 A 42 ARG HB2 . 30017 1 433 . 1 1 42 42 ARG HB3 H 1 1.868 . . 1 . . 1 A 42 ARG HB3 . 30017 1 434 . 1 1 42 42 ARG HG2 H 1 1.65 . . 1 . . 1 A 42 ARG HG2 . 30017 1 435 . 1 1 42 42 ARG HG3 H 1 1.65 . . 1 . . 1 A 42 ARG HG3 . 30017 1 436 . 1 1 42 42 ARG HD2 H 1 3.136 . . 1 . . 1 A 42 ARG HD2 . 30017 1 437 . 1 1 42 42 ARG HD3 H 1 3.136 . . 1 . . 1 A 42 ARG HD3 . 30017 1 438 . 1 1 42 42 ARG C C 13 177.787 . . 1 . . 1 A 42 ARG C . 30017 1 439 . 1 1 42 42 ARG CA C 13 58.39 . . 1 . . 1 A 42 ARG CA . 30017 1 440 . 1 1 42 42 ARG CB C 13 30.451 . . 1 . . 1 A 42 ARG CB . 30017 1 441 . 1 1 42 42 ARG CG C 13 28.193 . . 1 . . 1 A 42 ARG CG . 30017 1 442 . 1 1 42 42 ARG CD C 13 42.748 . . 1 . . 1 A 42 ARG CD . 30017 1 443 . 1 1 42 42 ARG N N 15 114.684 . . 1 . . 1 A 42 ARG N . 30017 1 444 . 1 1 43 43 LYS H H 1 7.984 . . 1 . . 1 A 43 LYS H . 30017 1 445 . 1 1 43 43 LYS HA H 1 4.286 . . 1 . . 1 A 43 LYS HA . 30017 1 446 . 1 1 43 43 LYS HB2 H 1 1.87 . . 1 . . 1 A 43 LYS HB2 . 30017 1 447 . 1 1 43 43 LYS HB3 H 1 1.87 . . 1 . . 1 A 43 LYS HB3 . 30017 1 448 . 1 1 43 43 LYS HG2 H 1 1.456 . . 1 . . 1 A 43 LYS HG2 . 30017 1 449 . 1 1 43 43 LYS HG3 H 1 1.456 . . 1 . . 1 A 43 LYS HG3 . 30017 1 450 . 1 1 43 43 LYS HD2 H 1 1.684 . . 1 . . 1 A 43 LYS HD2 . 30017 1 451 . 1 1 43 43 LYS HD3 H 1 1.684 . . 1 . . 1 A 43 LYS HD3 . 30017 1 452 . 1 1 43 43 LYS HE2 H 1 3.043 . . 1 . . 1 A 43 LYS HE2 . 30017 1 453 . 1 1 43 43 LYS HE3 H 1 3.043 . . 1 . . 1 A 43 LYS HE3 . 30017 1 454 . 1 1 43 43 LYS C C 13 178.264 . . 1 . . 1 A 43 LYS C . 30017 1 455 . 1 1 43 43 LYS CA C 13 58.295 . . 1 . . 1 A 43 LYS CA . 30017 1 456 . 1 1 43 43 LYS CB C 13 33.49 . . 1 . . 1 A 43 LYS CB . 30017 1 457 . 1 1 43 43 LYS CG C 13 25.868 . . 1 . . 1 A 43 LYS CG . 30017 1 458 . 1 1 43 43 LYS CD C 13 29.075 . . 1 . . 1 A 43 LYS CD . 30017 1 459 . 1 1 43 43 LYS CE C 13 42.639 . . 1 . . 1 A 43 LYS CE . 30017 1 460 . 1 1 43 43 LYS N N 15 114.022 . . 1 . . 1 A 43 LYS N . 30017 1 461 . 1 1 44 44 ASP H H 1 8.384 . . 1 . . 1 A 44 ASP H . 30017 1 462 . 1 1 44 44 ASP HA H 1 5.271 . . 1 . . 1 A 44 ASP HA . 30017 1 463 . 1 1 44 44 ASP HB2 H 1 2.86 . . 1 . . 1 A 44 ASP HB2 . 30017 1 464 . 1 1 44 44 ASP HB3 H 1 2.86 . . 1 . . 1 A 44 ASP HB3 . 30017 1 465 . 1 1 44 44 ASP C C 13 177.476 . . 1 . . 1 A 44 ASP C . 30017 1 466 . 1 1 44 44 ASP CA C 13 55.957 . . 1 . . 1 A 44 ASP CA . 30017 1 467 . 1 1 44 44 ASP CB C 13 44.842 . . 1 . . 1 A 44 ASP CB . 30017 1 468 . 1 1 44 44 ASP N N 15 114.181 . . 1 . . 1 A 44 ASP N . 30017 1 469 . 1 1 45 45 LEU H H 1 7.301 . . 1 . . 1 A 45 LEU H . 30017 1 470 . 1 1 45 45 LEU HA H 1 4.076 . . 1 . . 1 A 45 LEU HA . 30017 1 471 . 1 1 45 45 LEU HB2 H 1 1.786 . . 1 . . 1 A 45 LEU HB2 . 30017 1 472 . 1 1 45 45 LEU HB3 H 1 1.786 . . 1 . . 1 A 45 LEU HB3 . 30017 1 473 . 1 1 45 45 LEU HG H 1 1.445 . . 1 . . 1 A 45 LEU HG . 30017 1 474 . 1 1 45 45 LEU HD11 H 1 0.755 . . 1 . . 1 A 45 LEU HD11 . 30017 1 475 . 1 1 45 45 LEU HD12 H 1 0.755 . . 1 . . 1 A 45 LEU HD12 . 30017 1 476 . 1 1 45 45 LEU HD13 H 1 0.755 . . 1 . . 1 A 45 LEU HD13 . 30017 1 477 . 1 1 45 45 LEU HD21 H 1 0.755 . . 1 . . 1 A 45 LEU HD21 . 30017 1 478 . 1 1 45 45 LEU HD22 H 1 0.755 . . 1 . . 1 A 45 LEU HD22 . 30017 1 479 . 1 1 45 45 LEU HD23 H 1 0.755 . . 1 . . 1 A 45 LEU HD23 . 30017 1 480 . 1 1 45 45 LEU C C 13 177.221 . . 1 . . 1 A 45 LEU C . 30017 1 481 . 1 1 45 45 LEU CA C 13 53.993 . . 1 . . 1 A 45 LEU CA . 30017 1 482 . 1 1 45 45 LEU CB C 13 42.277 . . 1 . . 1 A 45 LEU CB . 30017 1 483 . 1 1 45 45 LEU CG C 13 27.238 . . 1 . . 1 A 45 LEU CG . 30017 1 484 . 1 1 45 45 LEU CD1 C 13 25.086 . . 1 . . 1 A 45 LEU CD1 . 30017 1 485 . 1 1 45 45 LEU CD2 C 13 25.086 . . 1 . . 1 A 45 LEU CD2 . 30017 1 486 . 1 1 45 45 LEU N N 15 120.016 . . 1 . . 1 A 45 LEU N . 30017 1 487 . 1 1 46 46 GLN H H 1 8.342 . . 1 . . 1 A 46 GLN H . 30017 1 488 . 1 1 46 46 GLN HA H 1 3.74 . . 1 . . 1 A 46 GLN HA . 30017 1 489 . 1 1 46 46 GLN HB2 H 1 2.014 . . 1 . . 1 A 46 GLN HB2 . 30017 1 490 . 1 1 46 46 GLN HB3 H 1 2.014 . . 1 . . 1 A 46 GLN HB3 . 30017 1 491 . 1 1 46 46 GLN HG2 H 1 2.247 . . 1 . . 1 A 46 GLN HG2 . 30017 1 492 . 1 1 46 46 GLN HG3 H 1 2.247 . . 1 . . 1 A 46 GLN HG3 . 30017 1 493 . 1 1 46 46 GLN C C 13 177.373 . . 1 . . 1 A 46 GLN C . 30017 1 494 . 1 1 46 46 GLN CA C 13 58.82 . . 1 . . 1 A 46 GLN CA . 30017 1 495 . 1 1 46 46 GLN CB C 13 29.282 . . 1 . . 1 A 46 GLN CB . 30017 1 496 . 1 1 46 46 GLN CG C 13 34.452 . . 1 . . 1 A 46 GLN CG . 30017 1 497 . 1 1 46 46 GLN N N 15 114.351 . . 1 . . 1 A 46 GLN N . 30017 1 498 . 1 1 47 47 ASN H H 1 9.955 . . 1 . . 1 A 47 ASN H . 30017 1 499 . 1 1 47 47 ASN HA H 1 4.697 . . 1 . . 1 A 47 ASN HA . 30017 1 500 . 1 1 47 47 ASN HB2 H 1 2.597 . . 1 . . 1 A 47 ASN HB2 . 30017 1 501 . 1 1 47 47 ASN HB3 H 1 2.597 . . 1 . . 1 A 47 ASN HB3 . 30017 1 502 . 1 1 47 47 ASN C C 13 177.761 . . 1 . . 1 A 47 ASN C . 30017 1 503 . 1 1 47 47 ASN CA C 13 55.586 . . 1 . . 1 A 47 ASN CA . 30017 1 504 . 1 1 47 47 ASN CB C 13 39.488 . . 1 . . 1 A 47 ASN CB . 30017 1 505 . 1 1 47 47 ASN N N 15 114.647 . . 1 . . 1 A 47 ASN N . 30017 1 506 . 1 1 48 48 PHE H H 1 9.149 . . 1 . . 1 A 48 PHE H . 30017 1 507 . 1 1 48 48 PHE HA H 1 4.657 . . 1 . . 1 A 48 PHE HA . 30017 1 508 . 1 1 48 48 PHE HB2 H 1 3.154 . . 1 . . 1 A 48 PHE HB2 . 30017 1 509 . 1 1 48 48 PHE HB3 H 1 3.154 . . 1 . . 1 A 48 PHE HB3 . 30017 1 510 . 1 1 48 48 PHE C C 13 176.768 . . 1 . . 1 A 48 PHE C . 30017 1 511 . 1 1 48 48 PHE CA C 13 57.913 . . 1 . . 1 A 48 PHE CA . 30017 1 512 . 1 1 48 48 PHE CB C 13 37.925 . . 1 . . 1 A 48 PHE CB . 30017 1 513 . 1 1 48 48 PHE N N 15 119.075 . . 1 . . 1 A 48 PHE N . 30017 1 514 . 1 1 49 49 LEU H H 1 7.618 . . 1 . . 1 A 49 LEU H . 30017 1 515 . 1 1 49 49 LEU HA H 1 4.968 . . 1 . . 1 A 49 LEU HA . 30017 1 516 . 1 1 49 49 LEU HB2 H 1 1.714 . . 1 . . 1 A 49 LEU HB2 . 30017 1 517 . 1 1 49 49 LEU HB3 H 1 1.714 . . 1 . . 1 A 49 LEU HB3 . 30017 1 518 . 1 1 49 49 LEU HG H 1 1.806 . . 1 . . 1 A 49 LEU HG . 30017 1 519 . 1 1 49 49 LEU HD11 H 1 0.816 . . 1 . . 1 A 49 LEU HD11 . 30017 1 520 . 1 1 49 49 LEU HD12 H 1 0.816 . . 1 . . 1 A 49 LEU HD12 . 30017 1 521 . 1 1 49 49 LEU HD13 H 1 0.816 . . 1 . . 1 A 49 LEU HD13 . 30017 1 522 . 1 1 49 49 LEU HD21 H 1 0.816 . . 1 . . 1 A 49 LEU HD21 . 30017 1 523 . 1 1 49 49 LEU HD22 H 1 0.816 . . 1 . . 1 A 49 LEU HD22 . 30017 1 524 . 1 1 49 49 LEU HD23 H 1 0.816 . . 1 . . 1 A 49 LEU HD23 . 30017 1 525 . 1 1 49 49 LEU C C 13 176.422 . . 1 . . 1 A 49 LEU C . 30017 1 526 . 1 1 49 49 LEU CA C 13 53.786 . . 1 . . 1 A 49 LEU CA . 30017 1 527 . 1 1 49 49 LEU CB C 13 40.213 . . 1 . . 1 A 49 LEU CB . 30017 1 528 . 1 1 49 49 LEU CG C 13 27.051 . . 1 . . 1 A 49 LEU CG . 30017 1 529 . 1 1 49 49 LEU CD1 C 13 24.322 . . 1 . . 1 A 49 LEU CD1 . 30017 1 530 . 1 1 49 49 LEU CD2 C 13 24.322 . . 1 . . 1 A 49 LEU CD2 . 30017 1 531 . 1 1 49 49 LEU N N 15 116.187 . . 1 . . 1 A 49 LEU N . 30017 1 532 . 1 1 50 50 LYS H H 1 6.924 . . 1 . . 1 A 50 LYS H . 30017 1 533 . 1 1 50 50 LYS HA H 1 4.001 . . 1 . . 1 A 50 LYS HA . 30017 1 534 . 1 1 50 50 LYS HB2 H 1 1.834 . . 1 . . 1 A 50 LYS HB2 . 30017 1 535 . 1 1 50 50 LYS HB3 H 1 1.834 . . 1 . . 1 A 50 LYS HB3 . 30017 1 536 . 1 1 50 50 LYS HG2 H 1 1.432 . . 1 . . 1 A 50 LYS HG2 . 30017 1 537 . 1 1 50 50 LYS HG3 H 1 1.432 . . 1 . . 1 A 50 LYS HG3 . 30017 1 538 . 1 1 50 50 LYS HD2 H 1 1.67 . . 1 . . 1 A 50 LYS HD2 . 30017 1 539 . 1 1 50 50 LYS HD3 H 1 1.67 . . 1 . . 1 A 50 LYS HD3 . 30017 1 540 . 1 1 50 50 LYS HE2 H 1 3.054 . . 1 . . 1 A 50 LYS HE2 . 30017 1 541 . 1 1 50 50 LYS HE3 H 1 3.054 . . 1 . . 1 A 50 LYS HE3 . 30017 1 542 . 1 1 50 50 LYS C C 13 178.599 . . 1 . . 1 A 50 LYS C . 30017 1 543 . 1 1 50 50 LYS CA C 13 60.083 . . 1 . . 1 A 50 LYS CA . 30017 1 544 . 1 1 50 50 LYS CB C 13 32.804 . . 1 . . 1 A 50 LYS CB . 30017 1 545 . 1 1 50 50 LYS CG C 13 24.361 . . 1 . . 1 A 50 LYS CG . 30017 1 546 . 1 1 50 50 LYS CD C 13 29.665 . . 1 . . 1 A 50 LYS CD . 30017 1 547 . 1 1 50 50 LYS CE C 13 41.331 . . 1 . . 1 A 50 LYS CE . 30017 1 548 . 1 1 50 50 LYS N N 15 118.859 . . 1 . . 1 A 50 LYS N . 30017 1 549 . 1 1 51 51 LYS H H 1 8.407 . . 1 . . 1 A 51 LYS H . 30017 1 550 . 1 1 51 51 LYS HA H 1 3.989 . . 1 . . 1 A 51 LYS HA . 30017 1 551 . 1 1 51 51 LYS HB2 H 1 1.742 . . 1 . . 1 A 51 LYS HB2 . 30017 1 552 . 1 1 51 51 LYS HB3 H 1 1.742 . . 1 . . 1 A 51 LYS HB3 . 30017 1 553 . 1 1 51 51 LYS HG2 H 1 1.415 . . 1 . . 1 A 51 LYS HG2 . 30017 1 554 . 1 1 51 51 LYS HG3 H 1 1.415 . . 1 . . 1 A 51 LYS HG3 . 30017 1 555 . 1 1 51 51 LYS HD2 H 1 1.694 . . 1 . . 1 A 51 LYS HD2 . 30017 1 556 . 1 1 51 51 LYS HD3 H 1 1.694 . . 1 . . 1 A 51 LYS HD3 . 30017 1 557 . 1 1 51 51 LYS HE2 H 1 2.887 . . 1 . . 1 A 51 LYS HE2 . 30017 1 558 . 1 1 51 51 LYS HE3 H 1 2.887 . . 1 . . 1 A 51 LYS HE3 . 30017 1 559 . 1 1 51 51 LYS C C 13 179.177 . . 1 . . 1 A 51 LYS C . 30017 1 560 . 1 1 51 51 LYS CA C 13 59.122 . . 1 . . 1 A 51 LYS CA . 30017 1 561 . 1 1 51 51 LYS CB C 13 32.374 . . 1 . . 1 A 51 LYS CB . 30017 1 562 . 1 1 51 51 LYS CG C 13 25.303 . . 1 . . 1 A 51 LYS CG . 30017 1 563 . 1 1 51 51 LYS CD C 13 29.258 . . 1 . . 1 A 51 LYS CD . 30017 1 564 . 1 1 51 51 LYS CE C 13 42.571 . . 1 . . 1 A 51 LYS CE . 30017 1 565 . 1 1 51 51 LYS N N 15 116.474 . . 1 . . 1 A 51 LYS N . 30017 1 566 . 1 1 52 52 GLU H H 1 9.501 . . 1 . . 1 A 52 GLU H . 30017 1 567 . 1 1 52 52 GLU HA H 1 3.942 . . 1 . . 1 A 52 GLU HA . 30017 1 568 . 1 1 52 52 GLU HB2 H 1 1.659 . . 1 . . 1 A 52 GLU HB2 . 30017 1 569 . 1 1 52 52 GLU HB3 H 1 1.659 . . 1 . . 1 A 52 GLU HB3 . 30017 1 570 . 1 1 52 52 GLU HG2 H 1 2.28 . . 1 . . 1 A 52 GLU HG2 . 30017 1 571 . 1 1 52 52 GLU HG3 H 1 2.28 . . 1 . . 1 A 52 GLU HG3 . 30017 1 572 . 1 1 52 52 GLU C C 13 176.794 . . 1 . . 1 A 52 GLU C . 30017 1 573 . 1 1 52 52 GLU CA C 13 60.331 . . 1 . . 1 A 52 GLU CA . 30017 1 574 . 1 1 52 52 GLU CB C 13 28.42 . . 1 . . 1 A 52 GLU CB . 30017 1 575 . 1 1 52 52 GLU CG C 13 37.398 . . 1 . . 1 A 52 GLU CG . 30017 1 576 . 1 1 52 52 GLU N N 15 119.765 . . 1 . . 1 A 52 GLU N . 30017 1 577 . 1 1 53 53 ASN H H 1 7.984 . . 1 . . 1 A 53 ASN H . 30017 1 578 . 1 1 53 53 ASN HA H 1 4.267 . . 1 . . 1 A 53 ASN HA . 30017 1 579 . 1 1 53 53 ASN HB2 H 1 2.694 . . 1 . . 1 A 53 ASN HB2 . 30017 1 580 . 1 1 53 53 ASN HB3 H 1 2.694 . . 1 . . 1 A 53 ASN HB3 . 30017 1 581 . 1 1 53 53 ASN C C 13 176.087 . . 1 . . 1 A 53 ASN C . 30017 1 582 . 1 1 53 53 ASN CA C 13 55.321 . . 1 . . 1 A 53 ASN CA . 30017 1 583 . 1 1 53 53 ASN CB C 13 39.863 . . 1 . . 1 A 53 ASN CB . 30017 1 584 . 1 1 53 53 ASN N N 15 111.525 . . 1 . . 1 A 53 ASN N . 30017 1 585 . 1 1 54 54 LYS H H 1 7.446 . . 1 . . 1 A 54 LYS H . 30017 1 586 . 1 1 54 54 LYS HA H 1 4.202 . . 1 . . 1 A 54 LYS HA . 30017 1 587 . 1 1 54 54 LYS HB2 H 1 1.88 . . 1 . . 1 A 54 LYS HB2 . 30017 1 588 . 1 1 54 54 LYS HB3 H 1 1.88 . . 1 . . 1 A 54 LYS HB3 . 30017 1 589 . 1 1 54 54 LYS HG2 H 1 1.408 . . 1 . . 1 A 54 LYS HG2 . 30017 1 590 . 1 1 54 54 LYS HG3 H 1 1.408 . . 1 . . 1 A 54 LYS HG3 . 30017 1 591 . 1 1 54 54 LYS HD2 H 1 1.747 . . 1 . . 1 A 54 LYS HD2 . 30017 1 592 . 1 1 54 54 LYS HD3 H 1 1.747 . . 1 . . 1 A 54 LYS HD3 . 30017 1 593 . 1 1 54 54 LYS HE2 H 1 3.03 . . 1 . . 1 A 54 LYS HE2 . 30017 1 594 . 1 1 54 54 LYS HE3 H 1 3.03 . . 1 . . 1 A 54 LYS HE3 . 30017 1 595 . 1 1 54 54 LYS C C 13 176.029 . . 1 . . 1 A 54 LYS C . 30017 1 596 . 1 1 54 54 LYS CA C 13 57.017 . . 1 . . 1 A 54 LYS CA . 30017 1 597 . 1 1 54 54 LYS CB C 13 32.583 . . 1 . . 1 A 54 LYS CB . 30017 1 598 . 1 1 54 54 LYS CG C 13 25.024 . . 1 . . 1 A 54 LYS CG . 30017 1 599 . 1 1 54 54 LYS CD C 13 29.097 . . 1 . . 1 A 54 LYS CD . 30017 1 600 . 1 1 54 54 LYS CE C 13 42.236 . . 1 . . 1 A 54 LYS CE . 30017 1 601 . 1 1 54 54 LYS N N 15 113.852 . . 1 . . 1 A 54 LYS N . 30017 1 602 . 1 1 55 55 ASN H H 1 7.722 . . 1 . . 1 A 55 ASN H . 30017 1 603 . 1 1 55 55 ASN C C 13 174.646 . . 1 . . 1 A 55 ASN C . 30017 1 604 . 1 1 55 55 ASN CA C 13 52.426 . . 1 . . 1 A 55 ASN CA . 30017 1 605 . 1 1 55 55 ASN CB C 13 40.503 . . 1 . . 1 A 55 ASN CB . 30017 1 606 . 1 1 55 55 ASN N N 15 115.375 . . 1 . . 1 A 55 ASN N . 30017 1 607 . 1 1 56 56 GLU H H 1 9.332 . . 1 . . 1 A 56 GLU H . 30017 1 608 . 1 1 56 56 GLU HA H 1 4.011 . . 1 . . 1 A 56 GLU HA . 30017 1 609 . 1 1 56 56 GLU HB2 H 1 2.042 . . 1 . . 1 A 56 GLU HB2 . 30017 1 610 . 1 1 56 56 GLU HB3 H 1 2.042 . . 1 . . 1 A 56 GLU HB3 . 30017 1 611 . 1 1 56 56 GLU HG2 H 1 2.205 . . 1 . . 1 A 56 GLU HG2 . 30017 1 612 . 1 1 56 56 GLU HG3 H 1 2.205 . . 1 . . 1 A 56 GLU HG3 . 30017 1 613 . 1 1 56 56 GLU C C 13 177.68 . . 1 . . 1 A 56 GLU C . 30017 1 614 . 1 1 56 56 GLU CA C 13 60.122 . . 1 . . 1 A 56 GLU CA . 30017 1 615 . 1 1 56 56 GLU CB C 13 30.025 . . 1 . . 1 A 56 GLU CB . 30017 1 616 . 1 1 56 56 GLU CG C 13 36.346 . . 1 . . 1 A 56 GLU CG . 30017 1 617 . 1 1 56 56 GLU N N 15 118.182 . . 1 . . 1 A 56 GLU N . 30017 1 618 . 1 1 57 57 LYS H H 1 8.083 . . 1 . . 1 A 57 LYS H . 30017 1 619 . 1 1 57 57 LYS HA H 1 4.096 . . 1 . . 1 A 57 LYS HA . 30017 1 620 . 1 1 57 57 LYS HB2 H 1 1.885 . . 1 . . 1 A 57 LYS HB2 . 30017 1 621 . 1 1 57 57 LYS HB3 H 1 1.885 . . 1 . . 1 A 57 LYS HB3 . 30017 1 622 . 1 1 57 57 LYS HG2 H 1 1.456 . . 1 . . 1 A 57 LYS HG2 . 30017 1 623 . 1 1 57 57 LYS HG3 H 1 1.456 . . 1 . . 1 A 57 LYS HG3 . 30017 1 624 . 1 1 57 57 LYS HD2 H 1 1.701 . . 1 . . 1 A 57 LYS HD2 . 30017 1 625 . 1 1 57 57 LYS HD3 H 1 1.701 . . 1 . . 1 A 57 LYS HD3 . 30017 1 626 . 1 1 57 57 LYS HE2 H 1 2.975 . . 1 . . 1 A 57 LYS HE2 . 30017 1 627 . 1 1 57 57 LYS HE3 H 1 2.975 . . 1 . . 1 A 57 LYS HE3 . 30017 1 628 . 1 1 57 57 LYS C C 13 179.209 . . 1 . . 1 A 57 LYS C . 30017 1 629 . 1 1 57 57 LYS CA C 13 58.275 . . 1 . . 1 A 57 LYS CA . 30017 1 630 . 1 1 57 57 LYS CB C 13 31.486 . . 1 . . 1 A 57 LYS CB . 30017 1 631 . 1 1 57 57 LYS CG C 13 24.931 . . 1 . . 1 A 57 LYS CG . 30017 1 632 . 1 1 57 57 LYS CD C 13 28.529 . . 1 . . 1 A 57 LYS CD . 30017 1 633 . 1 1 57 57 LYS CE C 13 42.694 . . 1 . . 1 A 57 LYS CE . 30017 1 634 . 1 1 57 57 LYS N N 15 114.995 . . 1 . . 1 A 57 LYS N . 30017 1 635 . 1 1 58 58 VAL H H 1 7.62 . . 1 . . 1 A 58 VAL H . 30017 1 636 . 1 1 58 58 VAL HA H 1 3.76 . . 1 . . 1 A 58 VAL HA . 30017 1 637 . 1 1 58 58 VAL HB H 1 2.485 . . 1 . . 1 A 58 VAL HB . 30017 1 638 . 1 1 58 58 VAL HG11 H 1 1.03 . . 1 . . 1 A 58 VAL HG11 . 30017 1 639 . 1 1 58 58 VAL HG12 H 1 1.03 . . 1 . . 1 A 58 VAL HG12 . 30017 1 640 . 1 1 58 58 VAL HG13 H 1 1.03 . . 1 . . 1 A 58 VAL HG13 . 30017 1 641 . 1 1 58 58 VAL HG21 H 1 1.03 . . 1 . . 1 A 58 VAL HG21 . 30017 1 642 . 1 1 58 58 VAL HG22 H 1 1.03 . . 1 . . 1 A 58 VAL HG22 . 30017 1 643 . 1 1 58 58 VAL HG23 H 1 1.03 . . 1 . . 1 A 58 VAL HG23 . 30017 1 644 . 1 1 58 58 VAL C C 13 178.354 . . 1 . . 1 A 58 VAL C . 30017 1 645 . 1 1 58 58 VAL CA C 13 61.63 . . 1 . . 1 A 58 VAL CA . 30017 1 646 . 1 1 58 58 VAL CB C 13 31.182 . . 1 . . 1 A 58 VAL CB . 30017 1 647 . 1 1 58 58 VAL CG1 C 13 21.909 . . 1 . . 1 A 58 VAL CG1 . 30017 1 648 . 1 1 58 58 VAL CG2 C 13 21.909 . . 1 . . 1 A 58 VAL CG2 . 30017 1 649 . 1 1 58 58 VAL N N 15 118.003 . . 1 . . 1 A 58 VAL N . 30017 1 650 . 1 1 59 59 ILE H H 1 7.432 . . 1 . . 1 A 59 ILE H . 30017 1 651 . 1 1 59 59 ILE HA H 1 3.868 . . 1 . . 1 A 59 ILE HA . 30017 1 652 . 1 1 59 59 ILE HB H 1 1.714 . . 1 . . 1 A 59 ILE HB . 30017 1 653 . 1 1 59 59 ILE HG12 H 1 1.21 . . 1 . . 1 A 59 ILE HG12 . 30017 1 654 . 1 1 59 59 ILE HG13 H 1 1.21 . . 1 . . 1 A 59 ILE HG13 . 30017 1 655 . 1 1 59 59 ILE HG21 H 1 0.987 . . 1 . . 1 A 59 ILE HG21 . 30017 1 656 . 1 1 59 59 ILE HG22 H 1 0.987 . . 1 . . 1 A 59 ILE HG22 . 30017 1 657 . 1 1 59 59 ILE HG23 H 1 0.987 . . 1 . . 1 A 59 ILE HG23 . 30017 1 658 . 1 1 59 59 ILE HD11 H 1 0.822 . . 1 . . 1 A 59 ILE HD11 . 30017 1 659 . 1 1 59 59 ILE HD12 H 1 0.822 . . 1 . . 1 A 59 ILE HD12 . 30017 1 660 . 1 1 59 59 ILE HD13 H 1 0.822 . . 1 . . 1 A 59 ILE HD13 . 30017 1 661 . 1 1 59 59 ILE C C 13 178.242 . . 1 . . 1 A 59 ILE C . 30017 1 662 . 1 1 59 59 ILE CA C 13 64.63 . . 1 . . 1 A 59 ILE CA . 30017 1 663 . 1 1 59 59 ILE CB C 13 36.633 . . 1 . . 1 A 59 ILE CB . 30017 1 664 . 1 1 59 59 ILE CG1 C 13 27.975 . . 1 . . 1 A 59 ILE CG1 . 30017 1 665 . 1 1 59 59 ILE CG2 C 13 18.876 . . 1 . . 1 A 59 ILE CG2 . 30017 1 666 . 1 1 59 59 ILE CD1 C 13 12.575 . . 1 . . 1 A 59 ILE CD1 . 30017 1 667 . 1 1 59 59 ILE N N 15 117.131 . . 1 . . 1 A 59 ILE N . 30017 1 668 . 1 1 60 60 GLU H H 1 8.063 . . 1 . . 1 A 60 GLU H . 30017 1 669 . 1 1 60 60 GLU HA H 1 3.882 . . 1 . . 1 A 60 GLU HA . 30017 1 670 . 1 1 60 60 GLU HB2 H 1 2.137 . . 1 . . 1 A 60 GLU HB2 . 30017 1 671 . 1 1 60 60 GLU HB3 H 1 2.137 . . 1 . . 1 A 60 GLU HB3 . 30017 1 672 . 1 1 60 60 GLU HG2 H 1 2.491 . . 1 . . 1 A 60 GLU HG2 . 30017 1 673 . 1 1 60 60 GLU HG3 H 1 2.491 . . 1 . . 1 A 60 GLU HG3 . 30017 1 674 . 1 1 60 60 GLU C C 13 178.954 . . 1 . . 1 A 60 GLU C . 30017 1 675 . 1 1 60 60 GLU CA C 13 60.04 . . 1 . . 1 A 60 GLU CA . 30017 1 676 . 1 1 60 60 GLU CB C 13 29.066 . . 1 . . 1 A 60 GLU CB . 30017 1 677 . 1 1 60 60 GLU CG C 13 36.942 . . 1 . . 1 A 60 GLU CG . 30017 1 678 . 1 1 60 60 GLU N N 15 116.406 . . 1 . . 1 A 60 GLU N . 30017 1 679 . 1 1 61 61 HIS H H 1 7.975 . . 1 . . 1 A 61 HIS H . 30017 1 680 . 1 1 61 61 HIS HA H 1 4.372 . . 1 . . 1 A 61 HIS HA . 30017 1 681 . 1 1 61 61 HIS HB2 H 1 3.392 . . 1 . . 1 A 61 HIS HB2 . 30017 1 682 . 1 1 61 61 HIS HB3 H 1 3.392 . . 1 . . 1 A 61 HIS HB3 . 30017 1 683 . 1 1 61 61 HIS C C 13 177.445 . . 1 . . 1 A 61 HIS C . 30017 1 684 . 1 1 61 61 HIS CA C 13 58.771 . . 1 . . 1 A 61 HIS CA . 30017 1 685 . 1 1 61 61 HIS CB C 13 29.376 . . 1 . . 1 A 61 HIS CB . 30017 1 686 . 1 1 61 61 HIS N N 15 117.207 . . 1 . . 1 A 61 HIS N . 30017 1 687 . 1 1 62 62 ILE H H 1 8.315 . . 1 . . 1 A 62 ILE H . 30017 1 688 . 1 1 62 62 ILE HA H 1 3.762 . . 1 . . 1 A 62 ILE HA . 30017 1 689 . 1 1 62 62 ILE HB H 1 2.13 . . 1 . . 1 A 62 ILE HB . 30017 1 690 . 1 1 62 62 ILE HG12 H 1 1.612 . . 1 . . 1 A 62 ILE HG12 . 30017 1 691 . 1 1 62 62 ILE HG13 H 1 1.612 . . 1 . . 1 A 62 ILE HG13 . 30017 1 692 . 1 1 62 62 ILE HG21 H 1 0.958 . . 1 . . 1 A 62 ILE HG21 . 30017 1 693 . 1 1 62 62 ILE HG22 H 1 0.958 . . 1 . . 1 A 62 ILE HG22 . 30017 1 694 . 1 1 62 62 ILE HG23 H 1 0.958 . . 1 . . 1 A 62 ILE HG23 . 30017 1 695 . 1 1 62 62 ILE HD11 H 1 0.835 . . 1 . . 1 A 62 ILE HD11 . 30017 1 696 . 1 1 62 62 ILE HD12 H 1 0.835 . . 1 . . 1 A 62 ILE HD12 . 30017 1 697 . 1 1 62 62 ILE HD13 H 1 0.835 . . 1 . . 1 A 62 ILE HD13 . 30017 1 698 . 1 1 62 62 ILE C C 13 177.59 . . 1 . . 1 A 62 ILE C . 30017 1 699 . 1 1 62 62 ILE CA C 13 65.663 . . 1 . . 1 A 62 ILE CA . 30017 1 700 . 1 1 62 62 ILE CB C 13 38.023 . . 1 . . 1 A 62 ILE CB . 30017 1 701 . 1 1 62 62 ILE CG1 C 13 29.065 . . 1 . . 1 A 62 ILE CG1 . 30017 1 702 . 1 1 62 62 ILE CG2 C 13 17.208 . . 1 . . 1 A 62 ILE CG2 . 30017 1 703 . 1 1 62 62 ILE CD1 C 13 14.632 . . 1 . . 1 A 62 ILE CD1 . 30017 1 704 . 1 1 62 62 ILE N N 15 118.69 . . 1 . . 1 A 62 ILE N . 30017 1 705 . 1 1 63 63 MET H H 1 7.895 . . 1 . . 1 A 63 MET H . 30017 1 706 . 1 1 63 63 MET HA H 1 4.273 . . 1 . . 1 A 63 MET HA . 30017 1 707 . 1 1 63 63 MET HB2 H 1 1.913 . . 1 . . 1 A 63 MET HB2 . 30017 1 708 . 1 1 63 63 MET HB3 H 1 1.913 . . 1 . . 1 A 63 MET HB3 . 30017 1 709 . 1 1 63 63 MET HG2 H 1 2.744 . . 1 . . 1 A 63 MET HG2 . 30017 1 710 . 1 1 63 63 MET HG3 H 1 2.744 . . 1 . . 1 A 63 MET HG3 . 30017 1 711 . 1 1 63 63 MET HE1 H 1 1.655 . . 1 . . 1 A 63 MET HE1 . 30017 1 712 . 1 1 63 63 MET HE2 H 1 1.655 . . 1 . . 1 A 63 MET HE2 . 30017 1 713 . 1 1 63 63 MET HE3 H 1 1.655 . . 1 . . 1 A 63 MET HE3 . 30017 1 714 . 1 1 63 63 MET C C 13 177.045 . . 1 . . 1 A 63 MET C . 30017 1 715 . 1 1 63 63 MET CA C 13 60.089 . . 1 . . 1 A 63 MET CA . 30017 1 716 . 1 1 63 63 MET CB C 13 31.076 . . 1 . . 1 A 63 MET CB . 30017 1 717 . 1 1 63 63 MET CG C 13 33.086 . . 1 . . 1 A 63 MET CG . 30017 1 718 . 1 1 63 63 MET CE C 13 16.677 . . 1 . . 1 A 63 MET CE . 30017 1 719 . 1 1 63 63 MET N N 15 115.987 . . 1 . . 1 A 63 MET N . 30017 1 720 . 1 1 64 64 GLU H H 1 7.825 . . 1 . . 1 A 64 GLU H . 30017 1 721 . 1 1 64 64 GLU HA H 1 3.97 . . 1 . . 1 A 64 GLU HA . 30017 1 722 . 1 1 64 64 GLU HB2 H 1 2.082 . . 1 . . 1 A 64 GLU HB2 . 30017 1 723 . 1 1 64 64 GLU HB3 H 1 2.082 . . 1 . . 1 A 64 GLU HB3 . 30017 1 724 . 1 1 64 64 GLU HG2 H 1 2.307 . . 1 . . 1 A 64 GLU HG2 . 30017 1 725 . 1 1 64 64 GLU HG3 H 1 2.307 . . 1 . . 1 A 64 GLU HG3 . 30017 1 726 . 1 1 64 64 GLU C C 13 179.045 . . 1 . . 1 A 64 GLU C . 30017 1 727 . 1 1 64 64 GLU CA C 13 59.581 . . 1 . . 1 A 64 GLU CA . 30017 1 728 . 1 1 64 64 GLU CB C 13 29.461 . . 1 . . 1 A 64 GLU CB . 30017 1 729 . 1 1 64 64 GLU CG C 13 36.436 . . 1 . . 1 A 64 GLU CG . 30017 1 730 . 1 1 64 64 GLU N N 15 114.679 . . 1 . . 1 A 64 GLU N . 30017 1 731 . 1 1 65 65 ASP H H 1 7.915 . . 1 . . 1 A 65 ASP H . 30017 1 732 . 1 1 65 65 ASP HA H 1 4.299 . . 1 . . 1 A 65 ASP HA . 30017 1 733 . 1 1 65 65 ASP HB2 H 1 2.648 . . 1 . . 1 A 65 ASP HB2 . 30017 1 734 . 1 1 65 65 ASP HB3 H 1 2.648 . . 1 . . 1 A 65 ASP HB3 . 30017 1 735 . 1 1 65 65 ASP C C 13 178.301 . . 1 . . 1 A 65 ASP C . 30017 1 736 . 1 1 65 65 ASP CA C 13 56.842 . . 1 . . 1 A 65 ASP CA . 30017 1 737 . 1 1 65 65 ASP CB C 13 41.188 . . 1 . . 1 A 65 ASP CB . 30017 1 738 . 1 1 65 65 ASP N N 15 116.947 . . 1 . . 1 A 65 ASP N . 30017 1 739 . 1 1 66 66 LEU H H 1 7.611 . . 1 . . 1 A 66 LEU H . 30017 1 740 . 1 1 66 66 LEU HA H 1 4.168 . . 1 . . 1 A 66 LEU HA . 30017 1 741 . 1 1 66 66 LEU HB2 H 1 1.248 . . 1 . . 1 A 66 LEU HB2 . 30017 1 742 . 1 1 66 66 LEU HB3 H 1 1.248 . . 1 . . 1 A 66 LEU HB3 . 30017 1 743 . 1 1 66 66 LEU HG H 1 1.755 . . 1 . . 1 A 66 LEU HG . 30017 1 744 . 1 1 66 66 LEU HD11 H 1 0.694 . . 1 . . 1 A 66 LEU HD11 . 30017 1 745 . 1 1 66 66 LEU HD12 H 1 0.694 . . 1 . . 1 A 66 LEU HD12 . 30017 1 746 . 1 1 66 66 LEU HD13 H 1 0.694 . . 1 . . 1 A 66 LEU HD13 . 30017 1 747 . 1 1 66 66 LEU HD21 H 1 0.694 . . 1 . . 1 A 66 LEU HD21 . 30017 1 748 . 1 1 66 66 LEU HD22 H 1 0.694 . . 1 . . 1 A 66 LEU HD22 . 30017 1 749 . 1 1 66 66 LEU HD23 H 1 0.694 . . 1 . . 1 A 66 LEU HD23 . 30017 1 750 . 1 1 66 66 LEU C C 13 177.535 . . 1 . . 1 A 66 LEU C . 30017 1 751 . 1 1 66 66 LEU CA C 13 55.13 . . 1 . . 1 A 66 LEU CA . 30017 1 752 . 1 1 66 66 LEU CB C 13 42.829 . . 1 . . 1 A 66 LEU CB . 30017 1 753 . 1 1 66 66 LEU CG C 13 27.47 . . 1 . . 1 A 66 LEU CG . 30017 1 754 . 1 1 66 66 LEU CD1 C 13 21.746 . . 1 . . 1 A 66 LEU CD1 . 30017 1 755 . 1 1 66 66 LEU CD2 C 13 21.746 . . 1 . . 1 A 66 LEU CD2 . 30017 1 756 . 1 1 66 66 LEU N N 15 114.395 . . 1 . . 1 A 66 LEU N . 30017 1 757 . 1 1 67 67 ASP H H 1 7.54 . . 1 . . 1 A 67 ASP H . 30017 1 758 . 1 1 67 67 ASP HA H 1 4.577 . . 1 . . 1 A 67 ASP HA . 30017 1 759 . 1 1 67 67 ASP HB2 H 1 2.613 . . 1 . . 1 A 67 ASP HB2 . 30017 1 760 . 1 1 67 67 ASP HB3 H 1 2.613 . . 1 . . 1 A 67 ASP HB3 . 30017 1 761 . 1 1 67 67 ASP C C 13 177.369 . . 1 . . 1 A 67 ASP C . 30017 1 762 . 1 1 67 67 ASP CA C 13 53.035 . . 1 . . 1 A 67 ASP CA . 30017 1 763 . 1 1 67 67 ASP CB C 13 39.027 . . 1 . . 1 A 67 ASP CB . 30017 1 764 . 1 1 67 67 ASP N N 15 116.816 . . 1 . . 1 A 67 ASP N . 30017 1 765 . 1 1 68 68 THR H H 1 8.384 . . 1 . . 1 A 68 THR H . 30017 1 766 . 1 1 68 68 THR HA H 1 4.223 . . 1 . . 1 A 68 THR HA . 30017 1 767 . 1 1 68 68 THR HB H 1 4.028 . . 1 . . 1 A 68 THR HB . 30017 1 768 . 1 1 68 68 THR HG21 H 1 1.271 . . 1 . . 1 A 68 THR HG21 . 30017 1 769 . 1 1 68 68 THR HG22 H 1 1.271 . . 1 . . 1 A 68 THR HG22 . 30017 1 770 . 1 1 68 68 THR HG23 H 1 1.271 . . 1 . . 1 A 68 THR HG23 . 30017 1 771 . 1 1 68 68 THR C C 13 175.861 . . 1 . . 1 A 68 THR C . 30017 1 772 . 1 1 68 68 THR CA C 13 65.039 . . 1 . . 1 A 68 THR CA . 30017 1 773 . 1 1 68 68 THR CB C 13 68.916 . . 1 . . 1 A 68 THR CB . 30017 1 774 . 1 1 68 68 THR CG2 C 13 22.367 . . 1 . . 1 A 68 THR CG2 . 30017 1 775 . 1 1 68 68 THR N N 15 118.409 . . 1 . . 1 A 68 THR N . 30017 1 776 . 1 1 69 69 ASN H H 1 7.79 . . 1 . . 1 A 69 ASN H . 30017 1 777 . 1 1 69 69 ASN HA H 1 4.809 . . 1 . . 1 A 69 ASN HA . 30017 1 778 . 1 1 69 69 ASN HB2 H 1 2.743 . . 1 . . 1 A 69 ASN HB2 . 30017 1 779 . 1 1 69 69 ASN HB3 H 1 2.743 . . 1 . . 1 A 69 ASN HB3 . 30017 1 780 . 1 1 69 69 ASN C C 13 174.453 . . 1 . . 1 A 69 ASN C . 30017 1 781 . 1 1 69 69 ASN CA C 13 52.092 . . 1 . . 1 A 69 ASN CA . 30017 1 782 . 1 1 69 69 ASN CB C 13 37.005 . . 1 . . 1 A 69 ASN CB . 30017 1 783 . 1 1 69 69 ASN N N 15 113.817 . . 1 . . 1 A 69 ASN N . 30017 1 784 . 1 1 70 70 ALA H H 1 7.839 . . 1 . . 1 A 70 ALA H . 30017 1 785 . 1 1 70 70 ALA HA H 1 4.073 . . 1 . . 1 A 70 ALA HA . 30017 1 786 . 1 1 70 70 ALA HB1 H 1 1.37 . . 1 . . 1 A 70 ALA HB1 . 30017 1 787 . 1 1 70 70 ALA HB2 H 1 1.37 . . 1 . . 1 A 70 ALA HB2 . 30017 1 788 . 1 1 70 70 ALA HB3 H 1 1.37 . . 1 . . 1 A 70 ALA HB3 . 30017 1 789 . 1 1 70 70 ALA C C 13 176.017 . . 1 . . 1 A 70 ALA C . 30017 1 790 . 1 1 70 70 ALA CA C 13 53.44 . . 1 . . 1 A 70 ALA CA . 30017 1 791 . 1 1 70 70 ALA CB C 13 17.216 . . 1 . . 1 A 70 ALA CB . 30017 1 792 . 1 1 70 70 ALA N N 15 118.221 . . 1 . . 1 A 70 ALA N . 30017 1 793 . 1 1 71 71 ASP H H 1 8.231 . . 1 . . 1 A 71 ASP H . 30017 1 794 . 1 1 71 71 ASP HA H 1 4.731 . . 1 . . 1 A 71 ASP HA . 30017 1 795 . 1 1 71 71 ASP HB2 H 1 2.339 . . 1 . . 1 A 71 ASP HB2 . 30017 1 796 . 1 1 71 71 ASP HB3 H 1 2.339 . . 1 . . 1 A 71 ASP HB3 . 30017 1 797 . 1 1 71 71 ASP C C 13 177.265 . . 1 . . 1 A 71 ASP C . 30017 1 798 . 1 1 71 71 ASP CA C 13 53.108 . . 1 . . 1 A 71 ASP CA . 30017 1 799 . 1 1 71 71 ASP CB C 13 40.636 . . 1 . . 1 A 71 ASP CB . 30017 1 800 . 1 1 71 71 ASP N N 15 115.586 . . 1 . . 1 A 71 ASP N . 30017 1 801 . 1 1 72 72 LYS H H 1 10.264 . . 1 . . 1 A 72 LYS H . 30017 1 802 . 1 1 72 72 LYS HA H 1 3.589 . . 1 . . 1 A 72 LYS HA . 30017 1 803 . 1 1 72 72 LYS HB2 H 1 2.075 . . 1 . . 1 A 72 LYS HB2 . 30017 1 804 . 1 1 72 72 LYS HB3 H 1 2.075 . . 1 . . 1 A 72 LYS HB3 . 30017 1 805 . 1 1 72 72 LYS HG2 H 1 1.32 . . 1 . . 1 A 72 LYS HG2 . 30017 1 806 . 1 1 72 72 LYS HG3 H 1 1.32 . . 1 . . 1 A 72 LYS HG3 . 30017 1 807 . 1 1 72 72 LYS HD2 H 1 1.62 . . 1 . . 1 A 72 LYS HD2 . 30017 1 808 . 1 1 72 72 LYS HD3 H 1 1.62 . . 1 . . 1 A 72 LYS HD3 . 30017 1 809 . 1 1 72 72 LYS HE2 H 1 2.948 . . 1 . . 1 A 72 LYS HE2 . 30017 1 810 . 1 1 72 72 LYS HE3 H 1 2.948 . . 1 . . 1 A 72 LYS HE3 . 30017 1 811 . 1 1 72 72 LYS C C 13 174.688 . . 1 . . 1 A 72 LYS C . 30017 1 812 . 1 1 72 72 LYS CA C 13 57.215 . . 1 . . 1 A 72 LYS CA . 30017 1 813 . 1 1 72 72 LYS CB C 13 26.44 . . 1 . . 1 A 72 LYS CB . 30017 1 814 . 1 1 72 72 LYS CG C 13 25.399 . . 1 . . 1 A 72 LYS CG . 30017 1 815 . 1 1 72 72 LYS CD C 13 28.785 . . 1 . . 1 A 72 LYS CD . 30017 1 816 . 1 1 72 72 LYS CE C 13 42.817 . . 1 . . 1 A 72 LYS CE . 30017 1 817 . 1 1 72 72 LYS N N 15 114.731 . . 1 . . 1 A 72 LYS N . 30017 1 818 . 1 1 73 73 GLN H H 1 7.787 . . 1 . . 1 A 73 GLN H . 30017 1 819 . 1 1 73 73 GLN HA H 1 4.909 . . 1 . . 1 A 73 GLN HA . 30017 1 820 . 1 1 73 73 GLN HB2 H 1 1.783 . . 1 . . 1 A 73 GLN HB2 . 30017 1 821 . 1 1 73 73 GLN HB3 H 1 1.783 . . 1 . . 1 A 73 GLN HB3 . 30017 1 822 . 1 1 73 73 GLN HG2 H 1 2.125 . . 1 . . 1 A 73 GLN HG2 . 30017 1 823 . 1 1 73 73 GLN HG3 H 1 2.125 . . 1 . . 1 A 73 GLN HG3 . 30017 1 824 . 1 1 73 73 GLN C C 13 174.924 . . 1 . . 1 A 73 GLN C . 30017 1 825 . 1 1 73 73 GLN CA C 13 53.423 . . 1 . . 1 A 73 GLN CA . 30017 1 826 . 1 1 73 73 GLN CB C 13 32.047 . . 1 . . 1 A 73 GLN CB . 30017 1 827 . 1 1 73 73 GLN CG C 13 32.84 . . 1 . . 1 A 73 GLN CG . 30017 1 828 . 1 1 73 73 GLN N N 15 111.296 . . 1 . . 1 A 73 GLN N . 30017 1 829 . 1 1 74 74 LEU H H 1 10.115 . . 1 . . 1 A 74 LEU H . 30017 1 830 . 1 1 74 74 LEU HA H 1 5.817 . . 1 . . 1 A 74 LEU HA . 30017 1 831 . 1 1 74 74 LEU HB2 H 1 1.488 . . 1 . . 1 A 74 LEU HB2 . 30017 1 832 . 1 1 74 74 LEU HB3 H 1 1.488 . . 1 . . 1 A 74 LEU HB3 . 30017 1 833 . 1 1 74 74 LEU HG H 1 2.043 . . 1 . . 1 A 74 LEU HG . 30017 1 834 . 1 1 74 74 LEU HD11 H 1 0.645 . . 1 . . 1 A 74 LEU HD11 . 30017 1 835 . 1 1 74 74 LEU HD12 H 1 0.645 . . 1 . . 1 A 74 LEU HD12 . 30017 1 836 . 1 1 74 74 LEU HD13 H 1 0.645 . . 1 . . 1 A 74 LEU HD13 . 30017 1 837 . 1 1 74 74 LEU HD21 H 1 0.645 . . 1 . . 1 A 74 LEU HD21 . 30017 1 838 . 1 1 74 74 LEU HD22 H 1 0.645 . . 1 . . 1 A 74 LEU HD22 . 30017 1 839 . 1 1 74 74 LEU HD23 H 1 0.645 . . 1 . . 1 A 74 LEU HD23 . 30017 1 840 . 1 1 74 74 LEU C C 13 177.496 . . 1 . . 1 A 74 LEU C . 30017 1 841 . 1 1 74 74 LEU CA C 13 52.927 . . 1 . . 1 A 74 LEU CA . 30017 1 842 . 1 1 74 74 LEU CB C 13 43.918 . . 1 . . 1 A 74 LEU CB . 30017 1 843 . 1 1 74 74 LEU CG C 13 27.318 . . 1 . . 1 A 74 LEU CG . 30017 1 844 . 1 1 74 74 LEU CD1 C 13 23.509 . . 1 . . 1 A 74 LEU CD1 . 30017 1 845 . 1 1 74 74 LEU CD2 C 13 23.509 . . 1 . . 1 A 74 LEU CD2 . 30017 1 846 . 1 1 74 74 LEU N N 15 121.077 . . 1 . . 1 A 74 LEU N . 30017 1 847 . 1 1 75 75 SER H H 1 9.107 . . 1 . . 1 A 75 SER H . 30017 1 848 . 1 1 75 75 SER HA H 1 4.432 . . 1 . . 1 A 75 SER HA . 30017 1 849 . 1 1 75 75 SER HB2 H 1 3.977 . . 1 . . 1 A 75 SER HB2 . 30017 1 850 . 1 1 75 75 SER HB3 H 1 3.977 . . 1 . . 1 A 75 SER HB3 . 30017 1 851 . 1 1 75 75 SER C C 13 174.764 . . 1 . . 1 A 75 SER C . 30017 1 852 . 1 1 75 75 SER CA C 13 56.979 . . 1 . . 1 A 75 SER CA . 30017 1 853 . 1 1 75 75 SER CB C 13 65.067 . . 1 . . 1 A 75 SER CB . 30017 1 854 . 1 1 75 75 SER N N 15 118.124 . . 1 . . 1 A 75 SER N . 30017 1 855 . 1 1 76 76 PHE H H 1 9.558 . . 1 . . 1 A 76 PHE H . 30017 1 856 . 1 1 76 76 PHE HA H 1 3.285 . . 1 . . 1 A 76 PHE HA . 30017 1 857 . 1 1 76 76 PHE HB2 H 1 2.673 . . 1 . . 1 A 76 PHE HB2 . 30017 1 858 . 1 1 76 76 PHE HB3 H 1 2.673 . . 1 . . 1 A 76 PHE HB3 . 30017 1 859 . 1 1 76 76 PHE C C 13 176.174 . . 1 . . 1 A 76 PHE C . 30017 1 860 . 1 1 76 76 PHE CA C 13 62.77 . . 1 . . 1 A 76 PHE CA . 30017 1 861 . 1 1 76 76 PHE CB C 13 38.495 . . 1 . . 1 A 76 PHE CB . 30017 1 862 . 1 1 76 76 PHE N N 15 122.024 . . 1 . . 1 A 76 PHE N . 30017 1 863 . 1 1 77 77 GLU H H 1 8.962 . . 1 . . 1 A 77 GLU H . 30017 1 864 . 1 1 77 77 GLU HA H 1 3.561 . . 1 . . 1 A 77 GLU HA . 30017 1 865 . 1 1 77 77 GLU HB2 H 1 1.94 . . 1 . . 1 A 77 GLU HB2 . 30017 1 866 . 1 1 77 77 GLU HB3 H 1 1.94 . . 1 . . 1 A 77 GLU HB3 . 30017 1 867 . 1 1 77 77 GLU HG2 H 1 2.206 . . 1 . . 1 A 77 GLU HG2 . 30017 1 868 . 1 1 77 77 GLU HG3 H 1 2.206 . . 1 . . 1 A 77 GLU HG3 . 30017 1 869 . 1 1 77 77 GLU C C 13 177.18 . . 1 . . 1 A 77 GLU C . 30017 1 870 . 1 1 77 77 GLU CA C 13 59.706 . . 1 . . 1 A 77 GLU CA . 30017 1 871 . 1 1 77 77 GLU CB C 13 29.192 . . 1 . . 1 A 77 GLU CB . 30017 1 872 . 1 1 77 77 GLU CG C 13 36.695 . . 1 . . 1 A 77 GLU CG . 30017 1 873 . 1 1 77 77 GLU N N 15 113.44 . . 1 . . 1 A 77 GLU N . 30017 1 874 . 1 1 78 78 GLU H H 1 7.137 . . 1 . . 1 A 78 GLU H . 30017 1 875 . 1 1 78 78 GLU HA H 1 4.199 . . 1 . . 1 A 78 GLU HA . 30017 1 876 . 1 1 78 78 GLU HB2 H 1 2.202 . . 1 . . 1 A 78 GLU HB2 . 30017 1 877 . 1 1 78 78 GLU HB3 H 1 2.202 . . 1 . . 1 A 78 GLU HB3 . 30017 1 878 . 1 1 78 78 GLU HG2 H 1 2.397 . . 1 . . 1 A 78 GLU HG2 . 30017 1 879 . 1 1 78 78 GLU HG3 H 1 2.397 . . 1 . . 1 A 78 GLU HG3 . 30017 1 880 . 1 1 78 78 GLU C C 13 179.478 . . 1 . . 1 A 78 GLU C . 30017 1 881 . 1 1 78 78 GLU CA C 13 57.934 . . 1 . . 1 A 78 GLU CA . 30017 1 882 . 1 1 78 78 GLU CB C 13 31.263 . . 1 . . 1 A 78 GLU CB . 30017 1 883 . 1 1 78 78 GLU CG C 13 36.366 . . 1 . . 1 A 78 GLU CG . 30017 1 884 . 1 1 78 78 GLU N N 15 114.167 . . 1 . . 1 A 78 GLU N . 30017 1 885 . 1 1 79 79 PHE H H 1 8.562 . . 1 . . 1 A 79 PHE H . 30017 1 886 . 1 1 79 79 PHE HA H 1 4.12 . . 1 . . 1 A 79 PHE HA . 30017 1 887 . 1 1 79 79 PHE HB2 H 1 3.164 . . 1 . . 1 A 79 PHE HB2 . 30017 1 888 . 1 1 79 79 PHE HB3 H 1 3.164 . . 1 . . 1 A 79 PHE HB3 . 30017 1 889 . 1 1 79 79 PHE C C 13 176.435 . . 1 . . 1 A 79 PHE C . 30017 1 890 . 1 1 79 79 PHE CA C 13 61.098 . . 1 . . 1 A 79 PHE CA . 30017 1 891 . 1 1 79 79 PHE CB C 13 40.465 . . 1 . . 1 A 79 PHE CB . 30017 1 892 . 1 1 79 79 PHE N N 15 116.511 . . 1 . . 1 A 79 PHE N . 30017 1 893 . 1 1 80 80 ILE H H 1 8.005 . . 1 . . 1 A 80 ILE H . 30017 1 894 . 1 1 80 80 ILE HA H 1 3.188 . . 1 . . 1 A 80 ILE HA . 30017 1 895 . 1 1 80 80 ILE HB H 1 1.388 . . 1 . . 1 A 80 ILE HB . 30017 1 896 . 1 1 80 80 ILE HG12 H 1 1.007 . . 1 . . 1 A 80 ILE HG12 . 30017 1 897 . 1 1 80 80 ILE HG13 H 1 1.007 . . 1 . . 1 A 80 ILE HG13 . 30017 1 898 . 1 1 80 80 ILE HG21 H 1 0.28 . . 1 . . 1 A 80 ILE HG21 . 30017 1 899 . 1 1 80 80 ILE HG22 H 1 0.28 . . 1 . . 1 A 80 ILE HG22 . 30017 1 900 . 1 1 80 80 ILE HG23 H 1 0.28 . . 1 . . 1 A 80 ILE HG23 . 30017 1 901 . 1 1 80 80 ILE HD11 H 1 0.522 . . 1 . . 1 A 80 ILE HD11 . 30017 1 902 . 1 1 80 80 ILE HD12 H 1 0.522 . . 1 . . 1 A 80 ILE HD12 . 30017 1 903 . 1 1 80 80 ILE HD13 H 1 0.522 . . 1 . . 1 A 80 ILE HD13 . 30017 1 904 . 1 1 80 80 ILE C C 13 176.638 . . 1 . . 1 A 80 ILE C . 30017 1 905 . 1 1 80 80 ILE CA C 13 64.123 . . 1 . . 1 A 80 ILE CA . 30017 1 906 . 1 1 80 80 ILE CB C 13 37.438 . . 1 . . 1 A 80 ILE CB . 30017 1 907 . 1 1 80 80 ILE CG1 C 13 26.128 . . 1 . . 1 A 80 ILE CG1 . 30017 1 908 . 1 1 80 80 ILE CG2 C 13 18.862 . . 1 . . 1 A 80 ILE CG2 . 30017 1 909 . 1 1 80 80 ILE CD1 C 13 15.023 . . 1 . . 1 A 80 ILE CD1 . 30017 1 910 . 1 1 80 80 ILE N N 15 111.09 . . 1 . . 1 A 80 ILE N . 30017 1 911 . 1 1 81 81 MET H H 1 6.684 . . 1 . . 1 A 81 MET H . 30017 1 912 . 1 1 81 81 MET HA H 1 4.314 . . 1 . . 1 A 81 MET HA . 30017 1 913 . 1 1 81 81 MET HB2 H 1 2.062 . . 1 . . 1 A 81 MET HB2 . 30017 1 914 . 1 1 81 81 MET HB3 H 1 2.062 . . 1 . . 1 A 81 MET HB3 . 30017 1 915 . 1 1 81 81 MET HG2 H 1 2.58 . . 1 . . 1 A 81 MET HG2 . 30017 1 916 . 1 1 81 81 MET HG3 H 1 2.58 . . 1 . . 1 A 81 MET HG3 . 30017 1 917 . 1 1 81 81 MET HE1 H 1 2.059 . . 1 . . 1 A 81 MET HE1 . 30017 1 918 . 1 1 81 81 MET HE2 H 1 2.059 . . 1 . . 1 A 81 MET HE2 . 30017 1 919 . 1 1 81 81 MET HE3 H 1 2.059 . . 1 . . 1 A 81 MET HE3 . 30017 1 920 . 1 1 81 81 MET C C 13 179.138 . . 1 . . 1 A 81 MET C . 30017 1 921 . 1 1 81 81 MET CA C 13 55.682 . . 1 . . 1 A 81 MET CA . 30017 1 922 . 1 1 81 81 MET CB C 13 30.484 . . 1 . . 1 A 81 MET CB . 30017 1 923 . 1 1 81 81 MET CG C 13 31.822 . . 1 . . 1 A 81 MET CG . 30017 1 924 . 1 1 81 81 MET CE C 13 17.303 . . 1 . . 1 A 81 MET CE . 30017 1 925 . 1 1 81 81 MET N N 15 113.919 . . 1 . . 1 A 81 MET N . 30017 1 926 . 1 1 82 82 LEU H H 1 8.323 . . 1 . . 1 A 82 LEU H . 30017 1 927 . 1 1 82 82 LEU HA H 1 4.222 . . 1 . . 1 A 82 LEU HA . 30017 1 928 . 1 1 82 82 LEU HB2 H 1 1.524 . . 1 . . 1 A 82 LEU HB2 . 30017 1 929 . 1 1 82 82 LEU HB3 H 1 1.524 . . 1 . . 1 A 82 LEU HB3 . 30017 1 930 . 1 1 82 82 LEU HG H 1 1.258 . . 1 . . 1 A 82 LEU HG . 30017 1 931 . 1 1 82 82 LEU HD11 H 1 0.757 . . 1 . . 1 A 82 LEU HD11 . 30017 1 932 . 1 1 82 82 LEU HD12 H 1 0.757 . . 1 . . 1 A 82 LEU HD12 . 30017 1 933 . 1 1 82 82 LEU HD13 H 1 0.757 . . 1 . . 1 A 82 LEU HD13 . 30017 1 934 . 1 1 82 82 LEU HD21 H 1 0.757 . . 1 . . 1 A 82 LEU HD21 . 30017 1 935 . 1 1 82 82 LEU HD22 H 1 0.757 . . 1 . . 1 A 82 LEU HD22 . 30017 1 936 . 1 1 82 82 LEU HD23 H 1 0.757 . . 1 . . 1 A 82 LEU HD23 . 30017 1 937 . 1 1 82 82 LEU C C 13 178.433 . . 1 . . 1 A 82 LEU C . 30017 1 938 . 1 1 82 82 LEU CA C 13 57.99 . . 1 . . 1 A 82 LEU CA . 30017 1 939 . 1 1 82 82 LEU CB C 13 41.68 . . 1 . . 1 A 82 LEU CB . 30017 1 940 . 1 1 82 82 LEU CG C 13 26.462 . . 1 . . 1 A 82 LEU CG . 30017 1 941 . 1 1 82 82 LEU CD1 C 13 23.355 . . 1 . . 1 A 82 LEU CD1 . 30017 1 942 . 1 1 82 82 LEU CD2 C 13 23.355 . . 1 . . 1 A 82 LEU CD2 . 30017 1 943 . 1 1 82 82 LEU N N 15 120.866 . . 1 . . 1 A 82 LEU N . 30017 1 944 . 1 1 83 83 MET H H 1 7.715 . . 1 . . 1 A 83 MET H . 30017 1 945 . 1 1 83 83 MET HA H 1 3.804 . . 1 . . 1 A 83 MET HA . 30017 1 946 . 1 1 83 83 MET HB2 H 1 1.96 . . 1 . . 1 A 83 MET HB2 . 30017 1 947 . 1 1 83 83 MET HB3 H 1 1.96 . . 1 . . 1 A 83 MET HB3 . 30017 1 948 . 1 1 83 83 MET HG2 H 1 2.471 . . 1 . . 1 A 83 MET HG2 . 30017 1 949 . 1 1 83 83 MET HG3 H 1 2.471 . . 1 . . 1 A 83 MET HG3 . 30017 1 950 . 1 1 83 83 MET HE1 H 1 1.721 . . 1 . . 1 A 83 MET HE1 . 30017 1 951 . 1 1 83 83 MET HE2 H 1 1.721 . . 1 . . 1 A 83 MET HE2 . 30017 1 952 . 1 1 83 83 MET HE3 H 1 1.721 . . 1 . . 1 A 83 MET HE3 . 30017 1 953 . 1 1 83 83 MET C C 13 176.526 . . 1 . . 1 A 83 MET C . 30017 1 954 . 1 1 83 83 MET CA C 13 59.257 . . 1 . . 1 A 83 MET CA . 30017 1 955 . 1 1 83 83 MET CB C 13 33.614 . . 1 . . 1 A 83 MET CB . 30017 1 956 . 1 1 83 83 MET CG C 13 33.138 . . 1 . . 1 A 83 MET CG . 30017 1 957 . 1 1 83 83 MET CE C 13 18.557 . . 1 . . 1 A 83 MET CE . 30017 1 958 . 1 1 83 83 MET N N 15 110.225 . . 1 . . 1 A 83 MET N . 30017 1 959 . 1 1 84 84 ALA H H 1 7.235 . . 1 . . 1 A 84 ALA H . 30017 1 960 . 1 1 84 84 ALA HA H 1 4.31 . . 1 . . 1 A 84 ALA HA . 30017 1 961 . 1 1 84 84 ALA HB1 H 1 1.498 . . 1 . . 1 A 84 ALA HB1 . 30017 1 962 . 1 1 84 84 ALA HB2 H 1 1.498 . . 1 . . 1 A 84 ALA HB2 . 30017 1 963 . 1 1 84 84 ALA HB3 H 1 1.498 . . 1 . . 1 A 84 ALA HB3 . 30017 1 964 . 1 1 84 84 ALA C C 13 177.776 . . 1 . . 1 A 84 ALA C . 30017 1 965 . 1 1 84 84 ALA CA C 13 53.657 . . 1 . . 1 A 84 ALA CA . 30017 1 966 . 1 1 84 84 ALA CB C 13 18.98 . . 1 . . 1 A 84 ALA CB . 30017 1 967 . 1 1 84 84 ALA N N 15 114.835 . . 1 . . 1 A 84 ALA N . 30017 1 968 . 1 1 85 85 ARG H H 1 7.461 . . 1 . . 1 A 85 ARG H . 30017 1 969 . 1 1 85 85 ARG HA H 1 4.185 . . 1 . . 1 A 85 ARG HA . 30017 1 970 . 1 1 85 85 ARG HB2 H 1 1.866 . . 1 . . 1 A 85 ARG HB2 . 30017 1 971 . 1 1 85 85 ARG HB3 H 1 1.866 . . 1 . . 1 A 85 ARG HB3 . 30017 1 972 . 1 1 85 85 ARG HG2 H 1 1.651 . . 1 . . 1 A 85 ARG HG2 . 30017 1 973 . 1 1 85 85 ARG HG3 H 1 1.651 . . 1 . . 1 A 85 ARG HG3 . 30017 1 974 . 1 1 85 85 ARG HD2 H 1 3.048 . . 1 . . 1 A 85 ARG HD2 . 30017 1 975 . 1 1 85 85 ARG HD3 H 1 3.048 . . 1 . . 1 A 85 ARG HD3 . 30017 1 976 . 1 1 85 85 ARG C C 13 176.63 . . 1 . . 1 A 85 ARG C . 30017 1 977 . 1 1 85 85 ARG CA C 13 56.25 . . 1 . . 1 A 85 ARG CA . 30017 1 978 . 1 1 85 85 ARG CB C 13 30.44 . . 1 . . 1 A 85 ARG CB . 30017 1 979 . 1 1 85 85 ARG CG C 13 27.306 . . 1 . . 1 A 85 ARG CG . 30017 1 980 . 1 1 85 85 ARG CD C 13 43.291 . . 1 . . 1 A 85 ARG CD . 30017 1 981 . 1 1 85 85 ARG N N 15 113.765 . . 1 . . 1 A 85 ARG N . 30017 1 982 . 1 1 86 86 LEU H H 1 7.174 . . 1 . . 1 A 86 LEU H . 30017 1 983 . 1 1 86 86 LEU HA H 1 4.188 . . 1 . . 1 A 86 LEU HA . 30017 1 984 . 1 1 86 86 LEU HB2 H 1 1.564 . . 1 . . 1 A 86 LEU HB2 . 30017 1 985 . 1 1 86 86 LEU HB3 H 1 1.564 . . 1 . . 1 A 86 LEU HB3 . 30017 1 986 . 1 1 86 86 LEU HG H 1 1.272 . . 1 . . 1 A 86 LEU HG . 30017 1 987 . 1 1 86 86 LEU HD11 H 1 0.761 . . 1 . . 1 A 86 LEU HD11 . 30017 1 988 . 1 1 86 86 LEU HD12 H 1 0.761 . . 1 . . 1 A 86 LEU HD12 . 30017 1 989 . 1 1 86 86 LEU HD13 H 1 0.761 . . 1 . . 1 A 86 LEU HD13 . 30017 1 990 . 1 1 86 86 LEU HD21 H 1 0.761 . . 1 . . 1 A 86 LEU HD21 . 30017 1 991 . 1 1 86 86 LEU HD22 H 1 0.761 . . 1 . . 1 A 86 LEU HD22 . 30017 1 992 . 1 1 86 86 LEU HD23 H 1 0.761 . . 1 . . 1 A 86 LEU HD23 . 30017 1 993 . 1 1 86 86 LEU C C 13 176.753 . . 1 . . 1 A 86 LEU C . 30017 1 994 . 1 1 86 86 LEU CA C 13 55.044 . . 1 . . 1 A 86 LEU CA . 30017 1 995 . 1 1 86 86 LEU CB C 13 41.638 . . 1 . . 1 A 86 LEU CB . 30017 1 996 . 1 1 86 86 LEU CG C 13 26.457 . . 1 . . 1 A 86 LEU CG . 30017 1 997 . 1 1 86 86 LEU CD1 C 13 22.818 . . 1 . . 1 A 86 LEU CD1 . 30017 1 998 . 1 1 86 86 LEU CD2 C 13 22.818 . . 1 . . 1 A 86 LEU CD2 . 30017 1 999 . 1 1 86 86 LEU N N 15 115.707 . . 1 . . 1 A 86 LEU N . 30017 1 1000 . 1 1 87 87 THR H H 1 7.669 . . 1 . . 1 A 87 THR H . 30017 1 1001 . 1 1 87 87 THR HA H 1 4.055 . . 1 . . 1 A 87 THR HA . 30017 1 1002 . 1 1 87 87 THR HB H 1 4.035 . . 1 . . 1 A 87 THR HB . 30017 1 1003 . 1 1 87 87 THR HG21 H 1 0.94 . . 1 . . 1 A 87 THR HG21 . 30017 1 1004 . 1 1 87 87 THR HG22 H 1 0.94 . . 1 . . 1 A 87 THR HG22 . 30017 1 1005 . 1 1 87 87 THR HG23 H 1 0.94 . . 1 . . 1 A 87 THR HG23 . 30017 1 1006 . 1 1 87 87 THR C C 13 174.328 . . 1 . . 1 A 87 THR C . 30017 1 1007 . 1 1 87 87 THR CA C 13 62.411 . . 1 . . 1 A 87 THR CA . 30017 1 1008 . 1 1 87 87 THR CB C 13 69.266 . . 1 . . 1 A 87 THR CB . 30017 1 1009 . 1 1 87 87 THR CG2 C 13 21.333 . . 1 . . 1 A 87 THR CG2 . 30017 1 1010 . 1 1 87 87 THR N N 15 109.597 . . 1 . . 1 A 87 THR N . 30017 1 1011 . 1 1 88 88 TRP H H 1 7.564 . . 1 . . 1 A 88 TRP H . 30017 1 1012 . 1 1 88 88 TRP HA H 1 4.434 . . 1 . . 1 A 88 TRP HA . 30017 1 1013 . 1 1 88 88 TRP HB2 H 1 3.127 . . 1 . . 1 A 88 TRP HB2 . 30017 1 1014 . 1 1 88 88 TRP HB3 H 1 3.127 . . 1 . . 1 A 88 TRP HB3 . 30017 1 1015 . 1 1 88 88 TRP C C 13 175.922 . . 1 . . 1 A 88 TRP C . 30017 1 1016 . 1 1 88 88 TRP CA C 13 57.061 . . 1 . . 1 A 88 TRP CA . 30017 1 1017 . 1 1 88 88 TRP CB C 13 29.597 . . 1 . . 1 A 88 TRP CB . 30017 1 1018 . 1 1 88 88 TRP N N 15 120.033 . . 1 . . 1 A 88 TRP N . 30017 1 1019 . 1 1 89 89 ALA H H 1 7.823 . . 1 . . 1 A 89 ALA H . 30017 1 1020 . 1 1 89 89 ALA HA H 1 4.01 . . 1 . . 1 A 89 ALA HA . 30017 1 1021 . 1 1 89 89 ALA HB1 H 1 1.129 . . 1 . . 1 A 89 ALA HB1 . 30017 1 1022 . 1 1 89 89 ALA HB2 H 1 1.129 . . 1 . . 1 A 89 ALA HB2 . 30017 1 1023 . 1 1 89 89 ALA HB3 H 1 1.129 . . 1 . . 1 A 89 ALA HB3 . 30017 1 1024 . 1 1 89 89 ALA C C 13 177.624 . . 1 . . 1 A 89 ALA C . 30017 1 1025 . 1 1 89 89 ALA CA C 13 52.935 . . 1 . . 1 A 89 ALA CA . 30017 1 1026 . 1 1 89 89 ALA CB C 13 19.112 . . 1 . . 1 A 89 ALA CB . 30017 1 1027 . 1 1 89 89 ALA N N 15 121.797 . . 1 . . 1 A 89 ALA N . 30017 1 1028 . 1 1 90 90 SER H H 1 7.953 . . 1 . . 1 A 90 SER H . 30017 1 1029 . 1 1 90 90 SER C C 13 174.73 . . 1 . . 1 A 90 SER C . 30017 1 1030 . 1 1 90 90 SER CA C 13 58.852 . . 1 . . 1 A 90 SER CA . 30017 1 1031 . 1 1 90 90 SER CB C 13 63.354 . . 1 . . 1 A 90 SER CB . 30017 1 1032 . 1 1 90 90 SER N N 15 111.506 . . 1 . . 1 A 90 SER N . 30017 1 1033 . 1 1 92 92 GLU HA H 1 4.222 . . 1 . . 1 A 92 GLU HA . 30017 1 1034 . 1 1 92 92 GLU HB2 H 1 1.878 . . 1 . . 1 A 92 GLU HB2 . 30017 1 1035 . 1 1 92 92 GLU HB3 H 1 1.878 . . 1 . . 1 A 92 GLU HB3 . 30017 1 1036 . 1 1 92 92 GLU HG2 H 1 2.118 . . 1 . . 1 A 92 GLU HG2 . 30017 1 1037 . 1 1 92 92 GLU HG3 H 1 2.118 . . 1 . . 1 A 92 GLU HG3 . 30017 1 1038 . 1 1 92 92 GLU C C 13 176.346 . . 1 . . 1 A 92 GLU C . 30017 1 1039 . 1 1 92 92 GLU CA C 13 56.902 . . 1 . . 1 A 92 GLU CA . 30017 1 1040 . 1 1 92 92 GLU CB C 13 30.355 . . 1 . . 1 A 92 GLU CB . 30017 1 1041 . 1 1 92 92 GLU CG C 13 36.07 . . 1 . . 1 A 92 GLU CG . 30017 1 1042 . 1 1 93 93 LYS H H 1 8.113 . . 1 . . 1 A 93 LYS H . 30017 1 1043 . 1 1 93 93 LYS HA H 1 4.314 . . 1 . . 1 A 93 LYS HA . 30017 1 1044 . 1 1 93 93 LYS HB2 H 1 1.687 . . 1 . . 1 A 93 LYS HB2 . 30017 1 1045 . 1 1 93 93 LYS HB3 H 1 1.687 . . 1 . . 1 A 93 LYS HB3 . 30017 1 1046 . 1 1 93 93 LYS HG2 H 1 1.359 . . 1 . . 1 A 93 LYS HG2 . 30017 1 1047 . 1 1 93 93 LYS HG3 H 1 1.359 . . 1 . . 1 A 93 LYS HG3 . 30017 1 1048 . 1 1 93 93 LYS HD2 H 1 1.674 . . 1 . . 1 A 93 LYS HD2 . 30017 1 1049 . 1 1 93 93 LYS HD3 H 1 1.674 . . 1 . . 1 A 93 LYS HD3 . 30017 1 1050 . 1 1 93 93 LYS HE2 H 1 3.05 . . 1 . . 1 A 93 LYS HE2 . 30017 1 1051 . 1 1 93 93 LYS HE3 H 1 3.05 . . 1 . . 1 A 93 LYS HE3 . 30017 1 1052 . 1 1 93 93 LYS C C 13 176.477 . . 1 . . 1 A 93 LYS C . 30017 1 1053 . 1 1 93 93 LYS CA C 13 56.318 . . 1 . . 1 A 93 LYS CA . 30017 1 1054 . 1 1 93 93 LYS CB C 13 32.926 . . 1 . . 1 A 93 LYS CB . 30017 1 1055 . 1 1 93 93 LYS CG C 13 24.746 . . 1 . . 1 A 93 LYS CG . 30017 1 1056 . 1 1 93 93 LYS CD C 13 29.215 . . 1 . . 1 A 93 LYS CD . 30017 1 1057 . 1 1 93 93 LYS CE C 13 42.995 . . 1 . . 1 A 93 LYS CE . 30017 1 1058 . 1 1 93 93 LYS N N 15 118.921 . . 1 . . 1 A 93 LYS N . 30017 1 1059 . 1 1 94 94 MET H H 1 8.17 . . 1 . . 1 A 94 MET H . 30017 1 1060 . 1 1 94 94 MET C C 13 175.938 . . 1 . . 1 A 94 MET C . 30017 1 1061 . 1 1 94 94 MET N N 15 118.573 . . 1 . . 1 A 94 MET N . 30017 1 1062 . 1 1 95 95 HIS HA H 1 4.57 . . 1 . . 1 A 95 HIS HA . 30017 1 1063 . 1 1 95 95 HIS HB2 H 1 3.091 . . 1 . . 1 A 95 HIS HB2 . 30017 1 1064 . 1 1 95 95 HIS HB3 H 1 3.091 . . 1 . . 1 A 95 HIS HB3 . 30017 1 1065 . 1 1 95 95 HIS C C 13 175.048 . . 1 . . 1 A 95 HIS C . 30017 1 1066 . 1 1 95 95 HIS CA C 13 56.096 . . 1 . . 1 A 95 HIS CA . 30017 1 1067 . 1 1 95 95 HIS CB C 13 30.68 . . 1 . . 1 A 95 HIS CB . 30017 1 1068 . 1 1 96 96 GLU H H 1 8.291 . . 1 . . 1 A 96 GLU H . 30017 1 1069 . 1 1 96 96 GLU HA H 1 4.29 . . 1 . . 1 A 96 GLU HA . 30017 1 1070 . 1 1 96 96 GLU HB2 H 1 1.977 . . 1 . . 1 A 96 GLU HB2 . 30017 1 1071 . 1 1 96 96 GLU HB3 H 1 1.977 . . 1 . . 1 A 96 GLU HB3 . 30017 1 1072 . 1 1 96 96 GLU HG2 H 1 2.195 . . 1 . . 1 A 96 GLU HG2 . 30017 1 1073 . 1 1 96 96 GLU HG3 H 1 2.195 . . 1 . . 1 A 96 GLU HG3 . 30017 1 1074 . 1 1 96 96 GLU C C 13 176.748 . . 1 . . 1 A 96 GLU C . 30017 1 1075 . 1 1 96 96 GLU CA C 13 56.881 . . 1 . . 1 A 96 GLU CA . 30017 1 1076 . 1 1 96 96 GLU CB C 13 30.453 . . 1 . . 1 A 96 GLU CB . 30017 1 1077 . 1 1 96 96 GLU CG C 13 36.126 . . 1 . . 1 A 96 GLU CG . 30017 1 1078 . 1 1 96 96 GLU N N 15 120.158 . . 1 . . 1 A 96 GLU N . 30017 1 1079 . 1 1 97 97 GLY H H 1 8.357 . . 1 . . 1 A 97 GLY H . 30017 1 1080 . 1 1 97 97 GLY HA2 H 1 3.958 . . 1 . . 1 A 97 GLY HA2 . 30017 1 1081 . 1 1 97 97 GLY HA3 H 1 3.958 . . 1 . . 1 A 97 GLY HA3 . 30017 1 1082 . 1 1 97 97 GLY C C 13 173.885 . . 1 . . 1 A 97 GLY C . 30017 1 1083 . 1 1 97 97 GLY CA C 13 45.341 . . 1 . . 1 A 97 GLY CA . 30017 1 1084 . 1 1 97 97 GLY N N 15 107.642 . . 1 . . 1 A 97 GLY N . 30017 1 1085 . 1 1 98 98 ASP H H 1 8.146 . . 1 . . 1 A 98 ASP H . 30017 1 1086 . 1 1 98 98 ASP HA H 1 4.588 . . 1 . . 1 A 98 ASP HA . 30017 1 1087 . 1 1 98 98 ASP HB2 H 1 2.618 . . 1 . . 1 A 98 ASP HB2 . 30017 1 1088 . 1 1 98 98 ASP HB3 H 1 2.618 . . 1 . . 1 A 98 ASP HB3 . 30017 1 1089 . 1 1 98 98 ASP C C 13 176.261 . . 1 . . 1 A 98 ASP C . 30017 1 1090 . 1 1 98 98 ASP CA C 13 54.525 . . 1 . . 1 A 98 ASP CA . 30017 1 1091 . 1 1 98 98 ASP CB C 13 41.533 . . 1 . . 1 A 98 ASP CB . 30017 1 1092 . 1 1 98 98 ASP N N 15 118.223 . . 1 . . 1 A 98 ASP N . 30017 1 1093 . 1 1 99 99 GLU H H 1 8.39 . . 1 . . 1 A 99 GLU H . 30017 1 1094 . 1 1 99 99 GLU HA H 1 4.276 . . 1 . . 1 A 99 GLU HA . 30017 1 1095 . 1 1 99 99 GLU HB2 H 1 1.954 . . 1 . . 1 A 99 GLU HB2 . 30017 1 1096 . 1 1 99 99 GLU HB3 H 1 1.954 . . 1 . . 1 A 99 GLU HB3 . 30017 1 1097 . 1 1 99 99 GLU HG2 H 1 2.205 . . 1 . . 1 A 99 GLU HG2 . 30017 1 1098 . 1 1 99 99 GLU HG3 H 1 2.205 . . 1 . . 1 A 99 GLU HG3 . 30017 1 1099 . 1 1 99 99 GLU C C 13 176.657 . . 1 . . 1 A 99 GLU C . 30017 1 1100 . 1 1 99 99 GLU CA C 13 56.742 . . 1 . . 1 A 99 GLU CA . 30017 1 1101 . 1 1 99 99 GLU CB C 13 30.459 . . 1 . . 1 A 99 GLU CB . 30017 1 1102 . 1 1 99 99 GLU CG C 13 36.132 . . 1 . . 1 A 99 GLU CG . 30017 1 1103 . 1 1 99 99 GLU N N 15 118.498 . . 1 . . 1 A 99 GLU N . 30017 1 1104 . 1 1 100 100 GLY H H 1 8.194 . . 1 . . 1 A 100 GLY H . 30017 1 1105 . 1 1 100 100 GLY HA2 H 1 3.973 . . 1 . . 1 A 100 GLY HA2 . 30017 1 1106 . 1 1 100 100 GLY HA3 H 1 3.973 . . 1 . . 1 A 100 GLY HA3 . 30017 1 1107 . 1 1 100 100 GLY C C 13 172.071 . . 1 . . 1 A 100 GLY C . 30017 1 1108 . 1 1 100 100 GLY CA C 13 44.748 . . 1 . . 1 A 100 GLY CA . 30017 1 1109 . 1 1 100 100 GLY N N 15 107.268 . . 1 . . 1 A 100 GLY N . 30017 1 1110 . 1 1 101 101 PRO HA H 1 4.901 . . 1 . . 1 A 101 PRO HA . 30017 1 1111 . 1 1 101 101 PRO HB2 H 1 2.042 . . 1 . . 1 A 101 PRO HB2 . 30017 1 1112 . 1 1 101 101 PRO HB3 H 1 2.042 . . 1 . . 1 A 101 PRO HB3 . 30017 1 1113 . 1 1 101 101 PRO HG2 H 1 2.232 . . 1 . . 1 A 101 PRO HG2 . 30017 1 1114 . 1 1 101 101 PRO HG3 H 1 2.232 . . 1 . . 1 A 101 PRO HG3 . 30017 1 1115 . 1 1 101 101 PRO HD2 H 1 3.919 . . 1 . . 1 A 101 PRO HD2 . 30017 1 1116 . 1 1 101 101 PRO HD3 H 1 3.919 . . 1 . . 1 A 101 PRO HD3 . 30017 1 1117 . 1 1 101 101 PRO CA C 13 63.028 . . 1 . . 1 A 101 PRO CA . 30017 1 1118 . 1 1 101 101 PRO CB C 13 32.284 . . 1 . . 1 A 101 PRO CB . 30017 1 1119 . 1 1 101 101 PRO CG C 13 26.789 . . 1 . . 1 A 101 PRO CG . 30017 1 1120 . 1 1 101 101 PRO CD C 13 50.849 . . 1 . . 1 A 101 PRO CD . 30017 1 1121 . 1 1 102 102 GLY H H 1 7.235 . . 1 . . 1 A 102 GLY H . 30017 1 1122 . 1 1 102 102 GLY HA2 H 1 4.026 . . 1 . . 1 A 102 GLY HA2 . 30017 1 1123 . 1 1 102 102 GLY HA3 H 1 4.026 . . 1 . . 1 A 102 GLY HA3 . 30017 1 1124 . 1 1 102 102 GLY C C 13 172.868 . . 1 . . 1 A 102 GLY C . 30017 1 1125 . 1 1 102 102 GLY CA C 13 45.408 . . 1 . . 1 A 102 GLY CA . 30017 1 1126 . 1 1 102 102 GLY N N 15 109.904 . . 1 . . 1 A 102 GLY N . 30017 1 1127 . 1 1 103 103 HIS H H 1 7.784 . . 1 . . 1 A 103 HIS H . 30017 1 1128 . 1 1 103 103 HIS C C 13 172.271 . . 1 . . 1 A 103 HIS C . 30017 1 1129 . 1 1 103 103 HIS CA C 13 58.855 . . 1 . . 1 A 103 HIS CA . 30017 1 1130 . 1 1 103 103 HIS CB C 13 32.976 . . 1 . . 1 A 103 HIS CB . 30017 1 1131 . 1 1 103 103 HIS N N 15 111.606 . . 1 . . 1 A 103 HIS N . 30017 1 1132 . 1 1 104 104 HIS HA H 1 4.602 . . 1 . . 1 A 104 HIS HA . 30017 1 1133 . 1 1 104 104 HIS HB2 H 1 3.033 . . 1 . . 1 A 104 HIS HB2 . 30017 1 1134 . 1 1 104 104 HIS HB3 H 1 3.033 . . 1 . . 1 A 104 HIS HB3 . 30017 1 1135 . 1 1 104 104 HIS C C 13 174.72 . . 1 . . 1 A 104 HIS C . 30017 1 1136 . 1 1 104 104 HIS CA C 13 56.38 . . 1 . . 1 A 104 HIS CA . 30017 1 1137 . 1 1 104 104 HIS CB C 13 30.93 . . 1 . . 1 A 104 HIS CB . 30017 1 1138 . 1 1 105 105 HIS H H 1 8.14 . . 1 . . 1 A 105 HIS H . 30017 1 1139 . 1 1 105 105 HIS C C 13 174.027 . . 1 . . 1 A 105 HIS C . 30017 1 1140 . 1 1 105 105 HIS CA C 13 54.172 . . 1 . . 1 A 105 HIS CA . 30017 1 1141 . 1 1 105 105 HIS CB C 13 32.704 . . 1 . . 1 A 105 HIS CB . 30017 1 1142 . 1 1 105 105 HIS N N 15 122.047 . . 1 . . 1 A 105 HIS N . 30017 1 1143 . 1 1 107 107 PRO HA H 1 4.372 . . 1 . . 1 A 107 PRO HA . 30017 1 1144 . 1 1 107 107 PRO HB2 H 1 2.219 . . 1 . . 1 A 107 PRO HB2 . 30017 1 1145 . 1 1 107 107 PRO HB3 H 1 2.219 . . 1 . . 1 A 107 PRO HB3 . 30017 1 1146 . 1 1 107 107 PRO HG2 H 1 1.973 . . 1 . . 1 A 107 PRO HG2 . 30017 1 1147 . 1 1 107 107 PRO HG3 H 1 1.973 . . 1 . . 1 A 107 PRO HG3 . 30017 1 1148 . 1 1 107 107 PRO HD2 H 1 3.609 . . 1 . . 1 A 107 PRO HD2 . 30017 1 1149 . 1 1 107 107 PRO HD3 H 1 3.609 . . 1 . . 1 A 107 PRO HD3 . 30017 1 1150 . 1 1 107 107 PRO C C 13 177.377 . . 1 . . 1 A 107 PRO C . 30017 1 1151 . 1 1 107 107 PRO CA C 13 63.437 . . 1 . . 1 A 107 PRO CA . 30017 1 1152 . 1 1 107 107 PRO CB C 13 31.835 . . 1 . . 1 A 107 PRO CB . 30017 1 1153 . 1 1 107 107 PRO CG C 13 27.552 . . 1 . . 1 A 107 PRO CG . 30017 1 1154 . 1 1 107 107 PRO CD C 13 50.558 . . 1 . . 1 A 107 PRO CD . 30017 1 1155 . 1 1 108 108 GLY H H 1 8.417 . . 1 . . 1 A 108 GLY H . 30017 1 1156 . 1 1 108 108 GLY HA2 H 1 3.939 . . 1 . . 1 A 108 GLY HA2 . 30017 1 1157 . 1 1 108 108 GLY HA3 H 1 3.939 . . 1 . . 1 A 108 GLY HA3 . 30017 1 1158 . 1 1 108 108 GLY C C 13 174.164 . . 1 . . 1 A 108 GLY C . 30017 1 1159 . 1 1 108 108 GLY CA C 13 45.242 . . 1 . . 1 A 108 GLY CA . 30017 1 1160 . 1 1 108 108 GLY N N 15 107.093 . . 1 . . 1 A 108 GLY N . 30017 1 1161 . 1 1 109 109 LEU H H 1 8.063 . . 1 . . 1 A 109 LEU H . 30017 1 1162 . 1 1 109 109 LEU HA H 1 4.324 . . 1 . . 1 A 109 LEU HA . 30017 1 1163 . 1 1 109 109 LEU HB2 H 1 1.599 . . 1 . . 1 A 109 LEU HB2 . 30017 1 1164 . 1 1 109 109 LEU HB3 H 1 1.599 . . 1 . . 1 A 109 LEU HB3 . 30017 1 1165 . 1 1 109 109 LEU HG H 1 1.469 . . 1 . . 1 A 109 LEU HG . 30017 1 1166 . 1 1 109 109 LEU HD11 H 1 0.866 . . 1 . . 1 A 109 LEU HD11 . 30017 1 1167 . 1 1 109 109 LEU HD12 H 1 0.866 . . 1 . . 1 A 109 LEU HD12 . 30017 1 1168 . 1 1 109 109 LEU HD13 H 1 0.866 . . 1 . . 1 A 109 LEU HD13 . 30017 1 1169 . 1 1 109 109 LEU HD21 H 1 0.866 . . 1 . . 1 A 109 LEU HD21 . 30017 1 1170 . 1 1 109 109 LEU HD22 H 1 0.866 . . 1 . . 1 A 109 LEU HD22 . 30017 1 1171 . 1 1 109 109 LEU HD23 H 1 0.866 . . 1 . . 1 A 109 LEU HD23 . 30017 1 1172 . 1 1 109 109 LEU C C 13 177.933 . . 1 . . 1 A 109 LEU C . 30017 1 1173 . 1 1 109 109 LEU CA C 13 55.522 . . 1 . . 1 A 109 LEU CA . 30017 1 1174 . 1 1 109 109 LEU CB C 13 42.474 . . 1 . . 1 A 109 LEU CB . 30017 1 1175 . 1 1 109 109 LEU CG C 13 27.443 . . 1 . . 1 A 109 LEU CG . 30017 1 1176 . 1 1 109 109 LEU CD1 C 13 24.676 . . 1 . . 1 A 109 LEU CD1 . 30017 1 1177 . 1 1 109 109 LEU CD2 C 13 24.676 . . 1 . . 1 A 109 LEU CD2 . 30017 1 1178 . 1 1 109 109 LEU N N 15 119.399 . . 1 . . 1 A 109 LEU N . 30017 1 1179 . 1 1 110 110 GLY H H 1 8.405 . . 1 . . 1 A 110 GLY H . 30017 1 1180 . 1 1 110 110 GLY CA C 13 45.091 . . 1 . . 1 A 110 GLY CA . 30017 1 1181 . 1 1 110 110 GLY N N 15 107.595 . . 1 . . 1 A 110 GLY N . 30017 1 1182 . 1 1 111 111 GLU HA H 1 4.004 . . 1 . . 1 A 111 GLU HA . 30017 1 1183 . 1 1 111 111 GLU HB2 H 1 2.035 . . 1 . . 1 A 111 GLU HB2 . 30017 1 1184 . 1 1 111 111 GLU HB3 H 1 2.035 . . 1 . . 1 A 111 GLU HB3 . 30017 1 1185 . 1 1 111 111 GLU HG2 H 1 2.183 . . 1 . . 1 A 111 GLU HG2 . 30017 1 1186 . 1 1 111 111 GLU HG3 H 1 2.183 . . 1 . . 1 A 111 GLU HG3 . 30017 1 1187 . 1 1 111 111 GLU C C 13 175.642 . . 1 . . 1 A 111 GLU C . 30017 1 1188 . 1 1 111 111 GLU CA C 13 56.679 . . 1 . . 1 A 111 GLU CA . 30017 1 1189 . 1 1 111 111 GLU CB C 13 30.603 . . 1 . . 1 A 111 GLU CB . 30017 1 1190 . 1 1 111 111 GLU CG C 13 36.174 . . 1 . . 1 A 111 GLU CG . 30017 1 1191 . 1 1 112 112 GLY H H 1 7.876 . . 1 . . 1 A 112 GLY H . 30017 1 1192 . 1 1 112 112 GLY HA2 H 1 3.96 . . 1 . . 1 A 112 GLY HA2 . 30017 1 1193 . 1 1 112 112 GLY HA3 H 1 3.96 . . 1 . . 1 A 112 GLY HA3 . 30017 1 1194 . 1 1 112 112 GLY C C 13 172.985 . . 1 . . 1 A 112 GLY C . 30017 1 1195 . 1 1 112 112 GLY CA C 13 45.596 . . 1 . . 1 A 112 GLY CA . 30017 1 1196 . 1 1 112 112 GLY N N 15 113.834 . . 1 . . 1 A 112 GLY N . 30017 1 1197 . 1 1 113 113 THR H H 1 7.654 . . 1 . . 1 A 113 THR H . 30017 1 1198 . 1 1 113 113 THR C C 13 172.23 . . 1 . . 1 A 113 THR C . 30017 1 1199 . 1 1 113 113 THR CA C 13 58.819 . . 1 . . 1 A 113 THR CA . 30017 1 1200 . 1 1 113 113 THR CB C 13 70.606 . . 1 . . 1 A 113 THR CB . 30017 1 1201 . 1 1 113 113 THR N N 15 111.277 . . 1 . . 1 A 113 THR N . 30017 1 stop_ save_