data_50114 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50114 _Entry.Title ; Resonance assignment of human STIM1 CC1 fragment ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-12-04 _Entry.Accession_date 2019-12-04 _Entry.Last_release_date 2019-12-04 _Entry.Original_release_date 2019-12-04 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Petr Rathner . . . 0000-0001-9611-5985 50114 2 Linda Cerofolini . . . . 50114 3 Enrico Ravera . . . . 50114 4 Claudio Luchinat . . . . 50114 5 Christoph Romanin . . . . 50114 6 Norbert Mueller . . . 0000-0002-7621-3980 50114 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50114 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 340 50114 '15N chemical shifts' 94 50114 '1H chemical shifts' 524 50114 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 3 . . 2021-11-10 2019-12-04 update BMRB 'update related entries' 50114 2 . . 2021-06-29 2019-12-04 update BMRB 'update entry citation' 50114 1 . . 2020-08-31 2019-12-04 original author 'original release' 50114 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50118 'human STIM1 CC1 R304W mutant' 50114 BMRB 51173 'human STIM1 CC1 d296 R304 mutant' 50114 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50114 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33106661 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Interhelical interactions within the STIM1 CC1 domain modulate CRAC channel activation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Chem. Biol.' _Citation.Journal_name_full 'Nature chemical biology' _Citation.Journal_volume 17 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1552-4469 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 196 _Citation.Page_last 204 _Citation.Year 2021 _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 Petr Rathner P. . . . 50114 1 2 Marc Fahrner M. . . . 50114 1 3 Linda Cerofolini L. . . . 50114 1 4 Herwig Grabmayr H. . . . 50114 1 5 Ferdinand Horvath F. . . . 50114 1 6 Heinrich Krobath H. . . . 50114 1 7 Agrim Gupta A. . . . 50114 1 8 Enrico Ravera E. . . . 50114 1 9 Marco Fragai M. . . . 50114 1 10 Matthias Bechmann M. . . . 50114 1 11 Thomas Renger T. . . . 50114 1 12 Claudio Luchinat C. . . . 50114 1 13 Christoph Romanin C. . . . 50114 1 14 Norbert Muller N. . . . 50114 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50114 _Assembly.ID 1 _Assembly.Name 'STIM1 CC1 wild-type' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 13892 _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 'STIM1 CC1 wild-type' 1 $entity_1 . . yes native no no . . . 50114 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50114 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSPEFNRYSKEHMKKMMKDL EGLHRAEQSLHDLQERLHKA QEEHRTVEVEKVHLEKKLRD EINLAKQEAQRLKELREGTE NERSRQKYAEEELEQVREAL RKAEKELESHSSWYA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 115 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'coiled coil domain 1 (CC1)' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 50114 1 2 . SER . 50114 1 3 . PRO . 50114 1 4 . GLU . 50114 1 5 . PHE . 50114 1 6 . ASN . 50114 1 7 . ARG . 50114 1 8 . TYR . 50114 1 9 . SER . 50114 1 10 . LYS . 50114 1 11 . GLU . 50114 1 12 . HIS . 50114 1 13 . MET . 50114 1 14 . LYS . 50114 1 15 . LYS . 50114 1 16 . MET . 50114 1 17 . MET . 50114 1 18 . LYS . 50114 1 19 . ASP . 50114 1 20 . LEU . 50114 1 21 . GLU . 50114 1 22 . GLY . 50114 1 23 . LEU . 50114 1 24 . HIS . 50114 1 25 . ARG . 50114 1 26 . ALA . 50114 1 27 . GLU . 50114 1 28 . GLN . 50114 1 29 . SER . 50114 1 30 . LEU . 50114 1 31 . HIS . 50114 1 32 . ASP . 50114 1 33 . LEU . 50114 1 34 . GLN . 50114 1 35 . GLU . 50114 1 36 . ARG . 50114 1 37 . LEU . 50114 1 38 . HIS . 50114 1 39 . LYS . 50114 1 40 . ALA . 50114 1 41 . GLN . 50114 1 42 . GLU . 50114 1 43 . GLU . 50114 1 44 . HIS . 50114 1 45 . ARG . 50114 1 46 . THR . 50114 1 47 . VAL . 50114 1 48 . GLU . 50114 1 49 . VAL . 50114 1 50 . GLU . 50114 1 51 . LYS . 50114 1 52 . VAL . 50114 1 53 . HIS . 50114 1 54 . LEU . 50114 1 55 . GLU . 50114 1 56 . LYS . 50114 1 57 . LYS . 50114 1 58 . LEU . 50114 1 59 . ARG . 50114 1 60 . ASP . 50114 1 61 . GLU . 50114 1 62 . ILE . 50114 1 63 . ASN . 50114 1 64 . LEU . 50114 1 65 . ALA . 50114 1 66 . LYS . 50114 1 67 . GLN . 50114 1 68 . GLU . 50114 1 69 . ALA . 50114 1 70 . GLN . 50114 1 71 . ARG . 50114 1 72 . LEU . 50114 1 73 . LYS . 50114 1 74 . GLU . 50114 1 75 . LEU . 50114 1 76 . ARG . 50114 1 77 . GLU . 50114 1 78 . GLY . 50114 1 79 . THR . 50114 1 80 . GLU . 50114 1 81 . ASN . 50114 1 82 . GLU . 50114 1 83 . ARG . 50114 1 84 . SER . 50114 1 85 . ARG . 50114 1 86 . GLN . 50114 1 87 . LYS . 50114 1 88 . TYR . 50114 1 89 . ALA . 50114 1 90 . GLU . 50114 1 91 . GLU . 50114 1 92 . GLU . 50114 1 93 . LEU . 50114 1 94 . GLU . 50114 1 95 . GLN . 50114 1 96 . VAL . 50114 1 97 . ARG . 50114 1 98 . GLU . 50114 1 99 . ALA . 50114 1 100 . LEU . 50114 1 101 . ARG . 50114 1 102 . LYS . 50114 1 103 . ALA . 50114 1 104 . GLU . 50114 1 105 . LYS . 50114 1 106 . GLU . 50114 1 107 . LEU . 50114 1 108 . GLU . 50114 1 109 . SER . 50114 1 110 . HIS . 50114 1 111 . SER . 50114 1 112 . SER . 50114 1 113 . TRP . 50114 1 114 . TYR . 50114 1 115 . ALA . 50114 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 . GLY 1 1 50114 1 . SER 2 2 50114 1 . PRO 3 3 50114 1 . GLU 4 4 50114 1 . PHE 5 5 50114 1 . ASN 6 6 50114 1 . ARG 7 7 50114 1 . TYR 8 8 50114 1 . SER 9 9 50114 1 . LYS 10 10 50114 1 . GLU 11 11 50114 1 . HIS 12 12 50114 1 . MET 13 13 50114 1 . LYS 14 14 50114 1 . LYS 15 15 50114 1 . MET 16 16 50114 1 . MET 17 17 50114 1 . LYS 18 18 50114 1 . ASP 19 19 50114 1 . LEU 20 20 50114 1 . GLU 21 21 50114 1 . GLY 22 22 50114 1 . LEU 23 23 50114 1 . HIS 24 24 50114 1 . ARG 25 25 50114 1 . ALA 26 26 50114 1 . GLU 27 27 50114 1 . GLN 28 28 50114 1 . SER 29 29 50114 1 . LEU 30 30 50114 1 . HIS 31 31 50114 1 . ASP 32 32 50114 1 . LEU 33 33 50114 1 . GLN 34 34 50114 1 . GLU 35 35 50114 1 . ARG 36 36 50114 1 . LEU 37 37 50114 1 . HIS 38 38 50114 1 . LYS 39 39 50114 1 . ALA 40 40 50114 1 . GLN 41 41 50114 1 . GLU 42 42 50114 1 . GLU 43 43 50114 1 . HIS 44 44 50114 1 . ARG 45 45 50114 1 . THR 46 46 50114 1 . VAL 47 47 50114 1 . GLU 48 48 50114 1 . VAL 49 49 50114 1 . GLU 50 50 50114 1 . LYS 51 51 50114 1 . VAL 52 52 50114 1 . HIS 53 53 50114 1 . LEU 54 54 50114 1 . GLU 55 55 50114 1 . LYS 56 56 50114 1 . LYS 57 57 50114 1 . LEU 58 58 50114 1 . ARG 59 59 50114 1 . ASP 60 60 50114 1 . GLU 61 61 50114 1 . ILE 62 62 50114 1 . ASN 63 63 50114 1 . LEU 64 64 50114 1 . ALA 65 65 50114 1 . LYS 66 66 50114 1 . GLN 67 67 50114 1 . GLU 68 68 50114 1 . ALA 69 69 50114 1 . GLN 70 70 50114 1 . ARG 71 71 50114 1 . LEU 72 72 50114 1 . LYS 73 73 50114 1 . GLU 74 74 50114 1 . LEU 75 75 50114 1 . ARG 76 76 50114 1 . GLU 77 77 50114 1 . GLY 78 78 50114 1 . THR 79 79 50114 1 . GLU 80 80 50114 1 . ASN 81 81 50114 1 . GLU 82 82 50114 1 . ARG 83 83 50114 1 . SER 84 84 50114 1 . ARG 85 85 50114 1 . GLN 86 86 50114 1 . LYS 87 87 50114 1 . TYR 88 88 50114 1 . ALA 89 89 50114 1 . GLU 90 90 50114 1 . GLU 91 91 50114 1 . GLU 92 92 50114 1 . LEU 93 93 50114 1 . GLU 94 94 50114 1 . GLN 95 95 50114 1 . VAL 96 96 50114 1 . ARG 97 97 50114 1 . GLU 98 98 50114 1 . ALA 99 99 50114 1 . LEU 100 100 50114 1 . ARG 101 101 50114 1 . LYS 102 102 50114 1 . ALA 103 103 50114 1 . GLU 104 104 50114 1 . LYS 105 105 50114 1 . GLU 106 106 50114 1 . LEU 107 107 50114 1 . GLU 108 108 50114 1 . SER 109 109 50114 1 . HIS 110 110 50114 1 . SER 111 111 50114 1 . SER 112 112 50114 1 . TRP 113 113 50114 1 . TYR 114 114 50114 1 . ALA 115 115 50114 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50114 _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 . . . . . . . . . . . . . 50114 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50114 _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' . . . Escherichia coli . . . plasmid . . 'pGEX 4T-1' . . . 50114 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50114 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 7.25' _Sample.Aggregate_sample_number 1 _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 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 50114 1 2 SDS '[U-99% 2H]' . . . . . . 7 . . mM . . . . 50114 1 3 'STIM1 CC1' '[U-95% 13C; U-95% 15N]' . . 1 $entity_1 . . 0.3 . . mM . . . . 50114 1 4 H2O '[U-99% 2H]' . . . . . . 10 . . '% w/v' . . . . 50114 1 5 H2O 'natural abundance' . . . . . . 90 . . '% w/v' . . . . 50114 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 50114 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 0.02 . M 50114 1 pH 7.25 . pH 50114 1 pressure 1 . atm 50114 1 temperature 310.15 . K 50114 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50114 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version 1.8.4.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 50114 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50114 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50114 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5,3.6 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 50114 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50114 2 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 50114 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'Bruker Avance 950 MHz' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength '950 MHz' save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50114 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'Bruker Avance 900 MHz' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength '900 MHz' save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 50114 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'Bruker Avance III 700 MHz' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength '700 MHz' save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 50114 _NMR_spectrometer.ID 4 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'Bruker Avance NEO 700 MHz' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength '700 MHz' save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50114 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 50114 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 50114 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 50114 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 50114 1 5 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50114 1 6 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50114 1 7 '3D HN(COCA)CB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50114 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 50114 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50114 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50114 1 11 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 50114 1 12 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 50114 1 13 CON no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 50114 1 14 CBCACON no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 50114 1 15 CANCO no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 50114 1 16 CACO no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 50114 1 17 CBCACO no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 50114 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 50114 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details 'All spectra were calibrated in CARA software by the "correction value" in ppm.' 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 na 'methyl carbon' . . . . ppm 0 na indirect 0.25145 . . . . 2.7 50114 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.00000 . . . . -0.026 50114 1 N 15 na nitrogen . . . . ppm 0 na indirect 0.10132 . . . . -0.012 50114 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 50114 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50114 1 2 '2D 1H-13C HSQC' . . . 50114 1 3 '3D HNCO' . . . 50114 1 5 '3D HNCA' . . . 50114 1 6 '3D HNCACB' . . . 50114 1 7 '3D HN(COCA)CB' . . . 50114 1 8 '3D 1H-15N TOCSY' . . . 50114 1 9 '3D 1H-15N NOESY' . . . 50114 1 10 '3D 1H-13C NOESY aliphatic' . . . 50114 1 11 '3D H(CCO)NH' . . . 50114 1 12 '3D C(CO)NH' . . . 50114 1 13 CON . . . 50114 1 14 CBCACON . . . 50114 1 16 CACO . . . 50114 1 17 CBCACO . . . 50114 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 6 6 ASN H H 1 8.501 0.020 . 1 . . . . . 6 ASN H . 50114 1 2 . 1 . 1 6 6 ASN HA H 1 4.634 0.020 . 1 . . . . . 6 ASN HA . 50114 1 3 . 1 . 1 6 6 ASN HB2 H 1 2.761 0.020 . 1 . . . . . 6 ASN HB2 . 50114 1 4 . 1 . 1 6 6 ASN HB3 H 1 2.761 0.020 . 1 . . . . . 6 ASN HB3 . 50114 1 5 . 1 . 1 6 6 ASN HD21 H 1 6.892 0.020 . 1 . . . . . 6 ASN HD21 . 50114 1 6 . 1 . 1 6 6 ASN HD22 H 1 7.713 0.020 . 1 . . . . . 6 ASN HD22 . 50114 1 7 . 1 . 1 6 6 ASN C C 13 175.266 0.3 . 1 . . . . . 6 ASN C . 50114 1 8 . 1 . 1 6 6 ASN CA C 13 53.727 0.3 . 1 . . . . . 6 ASN CA . 50114 1 9 . 1 . 1 6 6 ASN CB C 13 38.672 0.3 . 1 . . . . . 6 ASN CB . 50114 1 10 . 1 . 1 6 6 ASN N N 15 120.187 0.3 . 1 . . . . . 6 ASN N . 50114 1 11 . 1 . 1 6 6 ASN ND2 N 15 112.383 0.3 . 1 . . . . . 6 ASN ND2 . 50114 1 12 . 1 . 1 7 7 ARG H H 1 8.102 0.020 . 1 . . . . . 7 ARG H . 50114 1 13 . 1 . 1 7 7 ARG HA H 1 4.096 0.020 . 1 . . . . . 7 ARG HA . 50114 1 14 . 1 . 1 7 7 ARG HB2 H 1 1.981 0.020 . 1 . . . . . 7 ARG HB2 . 50114 1 15 . 1 . 1 7 7 ARG HB3 H 1 1.981 0.020 . 1 . . . . . 7 ARG HB3 . 50114 1 16 . 1 . 1 7 7 ARG C C 13 175.990 0.3 . 1 . . . . . 7 ARG C . 50114 1 17 . 1 . 1 7 7 ARG CA C 13 57.363 0.3 . 1 . . . . . 7 ARG CA . 50114 1 18 . 1 . 1 7 7 ARG CB C 13 30.779 0.3 . 1 . . . . . 7 ARG CB . 50114 1 19 . 1 . 1 7 7 ARG N N 15 119.966 0.3 . 1 . . . . . 7 ARG N . 50114 1 20 . 1 . 1 8 8 TYR H H 1 7.760 0.020 . 1 . . . . . 8 TYR H . 50114 1 21 . 1 . 1 8 8 TYR HA H 1 4.663 0.020 . 1 . . . . . 8 TYR HA . 50114 1 22 . 1 . 1 8 8 TYR HB2 H 1 2.879 0.020 . 1 . . . . . 8 TYR HB2 . 50114 1 23 . 1 . 1 8 8 TYR HB3 H 1 2.879 0.020 . 1 . . . . . 8 TYR HB3 . 50114 1 24 . 1 . 1 8 8 TYR HD1 H 1 7.049 0.020 . 1 . . . . . 8 TYR HD1 . 50114 1 25 . 1 . 1 8 8 TYR HD2 H 1 7.049 0.020 . 1 . . . . . 8 TYR HD2 . 50114 1 26 . 1 . 1 8 8 TYR C C 13 174.806 0.3 . 1 . . . . . 8 TYR C . 50114 1 27 . 1 . 1 8 8 TYR CA C 13 57.271 0.3 . 1 . . . . . 8 TYR CA . 50114 1 28 . 1 . 1 8 8 TYR CB C 13 39.011 0.3 . 1 . . . . . 8 TYR CB . 50114 1 29 . 1 . 1 8 8 TYR N N 15 117.900 0.3 . 1 . . . . . 8 TYR N . 50114 1 30 . 1 . 1 9 9 SER H H 1 7.973 0.020 . 1 . . . . . 9 SER H . 50114 1 31 . 1 . 1 9 9 SER HA H 1 4.663 0.020 . 1 . . . . . 9 SER HA . 50114 1 32 . 1 . 1 9 9 SER HB2 H 1 3.853 0.020 . 1 . . . . . 9 SER HB2 . 50114 1 33 . 1 . 1 9 9 SER HB3 H 1 3.853 0.020 . 1 . . . . . 9 SER HB3 . 50114 1 34 . 1 . 1 9 9 SER HG H 1 5.794 0.020 . 1 . . . . . 9 SER HG . 50114 1 35 . 1 . 1 9 9 SER C C 13 175.107 0.3 . 1 . . . . . 9 SER C . 50114 1 36 . 1 . 1 9 9 SER CA C 13 59.330 0.3 . 1 . . . . . 9 SER CA . 50114 1 37 . 1 . 1 9 9 SER CB C 13 63.848 0.3 . 1 . . . . . 9 SER CB . 50114 1 38 . 1 . 1 9 9 SER N N 15 115.048 0.3 . 1 . . . . . 9 SER N . 50114 1 39 . 1 . 1 10 10 LYS H H 1 8.280 0.020 . 1 . . . . . 10 LYS H . 50114 1 40 . 1 . 1 10 10 LYS C C 13 177.361 0.3 . 1 . . . . . 10 LYS C . 50114 1 41 . 1 . 1 10 10 LYS CA C 13 58.211 0.3 . 1 . . . . . 10 LYS CA . 50114 1 42 . 1 . 1 10 10 LYS CB C 13 28.187 0.3 . 1 . . . . . 10 LYS CB . 50114 1 43 . 1 . 1 10 10 LYS N N 15 116.855 0.3 . 1 . . . . . 10 LYS N . 50114 1 44 . 1 . 1 11 11 GLU H H 1 8.133 0.020 . 1 . . . . . 11 GLU H . 50114 1 45 . 1 . 1 11 11 GLU C C 13 178.206 0.3 . 1 . . . . . 11 GLU C . 50114 1 46 . 1 . 1 11 11 GLU CA C 13 58.862 0.3 . 1 . . . . . 11 GLU CA . 50114 1 47 . 1 . 1 11 11 GLU CB C 13 32.169 0.3 . 1 . . . . . 11 GLU CB . 50114 1 48 . 1 . 1 11 11 GLU N N 15 120.429 0.3 . 1 . . . . . 11 GLU N . 50114 1 49 . 1 . 1 16 16 MET H H 1 7.918 0.020 . 1 . . . . . 16 MET H . 50114 1 50 . 1 . 1 16 16 MET HA H 1 4.165 0.020 . 1 . . . . . 16 MET HA . 50114 1 51 . 1 . 1 16 16 MET HB2 H 1 2.162 0.020 . 1 . . . . . 16 MET HB2 . 50114 1 52 . 1 . 1 16 16 MET HB3 H 1 2.162 0.020 . 1 . . . . . 16 MET HB3 . 50114 1 53 . 1 . 1 16 16 MET HG2 H 1 2.505 0.020 . 1 . . . . . 16 MET HG2 . 50114 1 54 . 1 . 1 16 16 MET HG3 H 1 2.505 0.020 . 1 . . . . . 16 MET HG3 . 50114 1 55 . 1 . 1 16 16 MET C C 13 177.850 0.3 . 1 . . . . . 16 MET C . 50114 1 56 . 1 . 1 16 16 MET CA C 13 58.276 0.3 . 1 . . . . . 16 MET CA . 50114 1 57 . 1 . 1 16 16 MET CB C 13 32.910 0.3 . 1 . . . . . 16 MET CB . 50114 1 58 . 1 . 1 16 16 MET CG C 13 32.185 0.3 . 1 . . . . . 16 MET CG . 50114 1 59 . 1 . 1 16 16 MET N N 15 117.941 0.3 . 1 . . . . . 16 MET N . 50114 1 60 . 1 . 1 17 17 MET H H 1 7.910 0.020 . 1 . . . . . 17 MET H . 50114 1 61 . 1 . 1 17 17 MET HA H 1 4.236 0.020 . 1 . . . . . 17 MET HA . 50114 1 62 . 1 . 1 17 17 MET HB2 H 1 2.127 0.020 . 1 . . . . . 17 MET HB2 . 50114 1 63 . 1 . 1 17 17 MET HB3 H 1 2.127 0.020 . 1 . . . . . 17 MET HB3 . 50114 1 64 . 1 . 1 17 17 MET HG2 H 1 2.593 0.020 . 1 . . . . . 17 MET HG2 . 50114 1 65 . 1 . 1 17 17 MET HG3 H 1 2.593 0.020 . 1 . . . . . 17 MET HG3 . 50114 1 66 . 1 . 1 17 17 MET C C 13 177.517 0.3 . 1 . . . . . 17 MET C . 50114 1 67 . 1 . 1 17 17 MET CA C 13 57.638 0.3 . 1 . . . . . 17 MET CA . 50114 1 68 . 1 . 1 17 17 MET CB C 13 32.816 0.3 . 1 . . . . . 17 MET CB . 50114 1 69 . 1 . 1 17 17 MET CG C 13 32.539 0.3 . 1 . . . . . 17 MET CG . 50114 1 70 . 1 . 1 17 17 MET N N 15 116.118 0.3 . 1 . . . . . 17 MET N . 50114 1 71 . 1 . 1 18 18 LYS H H 1 7.720 0.020 . 1 . . . . . 18 LYS H . 50114 1 72 . 1 . 1 18 18 LYS HB2 H 1 1.954 0.020 . 1 . . . . . 18 LYS HB2 . 50114 1 73 . 1 . 1 18 18 LYS HB3 H 1 1.954 0.020 . 1 . . . . . 18 LYS HB3 . 50114 1 74 . 1 . 1 18 18 LYS C C 13 178.046 0.3 . 1 . . . . . 18 LYS C . 50114 1 75 . 1 . 1 18 18 LYS CA C 13 58.105 0.3 . 1 . . . . . 18 LYS CA . 50114 1 76 . 1 . 1 18 18 LYS CB C 13 32.236 0.3 . 1 . . . . . 18 LYS CB . 50114 1 77 . 1 . 1 18 18 LYS N N 15 118.176 0.3 . 1 . . . . . 18 LYS N . 50114 1 78 . 1 . 1 19 19 ASP H H 1 8.054 0.020 . 1 . . . . . 19 ASP H . 50114 1 79 . 1 . 1 19 19 ASP HA H 1 4.644 0.020 . 1 . . . . . 19 ASP HA . 50114 1 80 . 1 . 1 19 19 ASP HB2 H 1 2.843 0.020 . 1 . . . . . 19 ASP HB2 . 50114 1 81 . 1 . 1 19 19 ASP HB3 H 1 2.843 0.020 . 1 . . . . . 19 ASP HB3 . 50114 1 82 . 1 . 1 19 19 ASP C C 13 177.167 0.3 . 1 . . . . . 19 ASP C . 50114 1 83 . 1 . 1 19 19 ASP CA C 13 55.469 0.3 . 1 . . . . . 19 ASP CA . 50114 1 84 . 1 . 1 19 19 ASP CB C 13 40.514 0.3 . 1 . . . . . 19 ASP CB . 50114 1 85 . 1 . 1 19 19 ASP N N 15 119.192 0.3 . 1 . . . . . 19 ASP N . 50114 1 86 . 1 . 1 20 20 LEU H H 1 7.855 0.020 . 1 . . . . . 20 LEU H . 50114 1 87 . 1 . 1 20 20 LEU HA H 1 4.204 0.020 . 1 . . . . . 20 LEU HA . 50114 1 88 . 1 . 1 20 20 LEU HB2 H 1 1.869 0.020 . 1 . . . . . 20 LEU HB2 . 50114 1 89 . 1 . 1 20 20 LEU HB3 H 1 1.869 0.020 . 1 . . . . . 20 LEU HB3 . 50114 1 90 . 1 . 1 20 20 LEU HG H 1 1.840 0.020 . 1 . . . . . 20 LEU HG . 50114 1 91 . 1 . 1 20 20 LEU HD11 H 1 0.966 0.020 . 1 . . . . . 20 LEU HD1 . 50114 1 92 . 1 . 1 20 20 LEU HD12 H 1 0.966 0.020 . 1 . . . . . 20 LEU HD1 . 50114 1 93 . 1 . 1 20 20 LEU HD13 H 1 0.966 0.020 . 1 . . . . . 20 LEU HD1 . 50114 1 94 . 1 . 1 20 20 LEU HD21 H 1 0.966 0.020 . 1 . . . . . 20 LEU HD2 . 50114 1 95 . 1 . 1 20 20 LEU HD22 H 1 0.966 0.020 . 1 . . . . . 20 LEU HD2 . 50114 1 96 . 1 . 1 20 20 LEU HD23 H 1 0.966 0.020 . 1 . . . . . 20 LEU HD2 . 50114 1 97 . 1 . 1 20 20 LEU C C 13 177.837 0.3 . 1 . . . . . 20 LEU C . 50114 1 98 . 1 . 1 20 20 LEU CA C 13 56.004 0.3 . 1 . . . . . 20 LEU CA . 50114 1 99 . 1 . 1 20 20 LEU CB C 13 41.569 0.3 . 1 . . . . . 20 LEU CB . 50114 1 100 . 1 . 1 20 20 LEU CG C 13 26.553 0.3 . 1 . . . . . 20 LEU CG . 50114 1 101 . 1 . 1 20 20 LEU CD1 C 13 24.346 0.3 . 1 . . . . . 20 LEU CD1 . 50114 1 102 . 1 . 1 20 20 LEU N N 15 120.807 0.3 . 1 . . . . . 20 LEU N . 50114 1 103 . 1 . 1 21 21 GLU H H 1 8.226 0.020 . 1 . . . . . 21 GLU H . 50114 1 104 . 1 . 1 21 21 GLU HA H 1 4.273 0.020 . 1 . . . . . 21 GLU HA . 50114 1 105 . 1 . 1 21 21 GLU HB2 H 1 2.185 0.020 . 1 . . . . . 21 GLU HB2 . 50114 1 106 . 1 . 1 21 21 GLU HB3 H 1 2.185 0.020 . 1 . . . . . 21 GLU HB3 . 50114 1 107 . 1 . 1 21 21 GLU C C 13 178.368 0.3 . 1 . . . . . 21 GLU C . 50114 1 108 . 1 . 1 21 21 GLU CA C 13 58.593 0.3 . 1 . . . . . 21 GLU CA . 50114 1 109 . 1 . 1 21 21 GLU CB C 13 29.289 0.3 . 1 . . . . . 21 GLU CB . 50114 1 110 . 1 . 1 21 21 GLU N N 15 121.310 0.3 . 1 . . . . . 21 GLU N . 50114 1 111 . 1 . 1 22 22 GLY H H 1 8.380 0.020 . 1 . . . . . 22 GLY H . 50114 1 112 . 1 . 1 22 22 GLY HA2 H 1 3.926 0.020 . 1 . . . . . 22 GLY HA2 . 50114 1 113 . 1 . 1 22 22 GLY HA3 H 1 3.926 0.020 . 1 . . . . . 22 GLY HA3 . 50114 1 114 . 1 . 1 22 22 GLY C C 13 175.027 0.3 . 1 . . . . . 22 GLY C . 50114 1 115 . 1 . 1 22 22 GLY CA C 13 46.328 0.3 . 1 . . . . . 22 GLY CA . 50114 1 116 . 1 . 1 22 22 GLY N N 15 106.974 0.3 . 1 . . . . . 22 GLY N . 50114 1 117 . 1 . 1 23 23 LEU H H 1 7.696 0.020 . 1 . . . . . 23 LEU H . 50114 1 118 . 1 . 1 23 23 LEU HA H 1 4.256 0.020 . 1 . . . . . 23 LEU HA . 50114 1 119 . 1 . 1 23 23 LEU HB2 H 1 1.632 0.020 . 1 . . . . . 23 LEU HB2 . 50114 1 120 . 1 . 1 23 23 LEU HB3 H 1 1.632 0.020 . 1 . . . . . 23 LEU HB3 . 50114 1 121 . 1 . 1 23 23 LEU HG H 1 1.786 0.020 . 1 . . . . . 23 LEU HG . 50114 1 122 . 1 . 1 23 23 LEU HD11 H 1 0.903 0.020 . 1 . . . . . 23 LEU HD1 . 50114 1 123 . 1 . 1 23 23 LEU HD12 H 1 0.903 0.020 . 1 . . . . . 23 LEU HD1 . 50114 1 124 . 1 . 1 23 23 LEU HD13 H 1 0.903 0.020 . 1 . . . . . 23 LEU HD1 . 50114 1 125 . 1 . 1 23 23 LEU HD21 H 1 0.903 0.020 . 1 . . . . . 23 LEU HD2 . 50114 1 126 . 1 . 1 23 23 LEU HD22 H 1 0.903 0.020 . 1 . . . . . 23 LEU HD2 . 50114 1 127 . 1 . 1 23 23 LEU HD23 H 1 0.903 0.020 . 1 . . . . . 23 LEU HD2 . 50114 1 128 . 1 . 1 23 23 LEU C C 13 177.804 0.3 . 1 . . . . . 23 LEU C . 50114 1 129 . 1 . 1 23 23 LEU CA C 13 56.253 0.3 . 1 . . . . . 23 LEU CA . 50114 1 130 . 1 . 1 23 23 LEU CB C 13 41.591 0.3 . 1 . . . . . 23 LEU CB . 50114 1 131 . 1 . 1 23 23 LEU CG C 13 27.328 0.3 . 1 . . . . . 23 LEU CG . 50114 1 132 . 1 . 1 23 23 LEU CD1 C 13 24.196 0.3 . 1 . . . . . 23 LEU CD1 . 50114 1 133 . 1 . 1 23 23 LEU N N 15 120.269 0.3 . 1 . . . . . 23 LEU N . 50114 1 134 . 1 . 1 24 24 HIS H H 1 8.078 0.020 . 1 . . . . . 24 HIS H . 50114 1 135 . 1 . 1 24 24 HIS HA H 1 4.633 0.020 . 1 . . . . . 24 HIS HA . 50114 1 136 . 1 . 1 24 24 HIS HB2 H 1 3.347 0.020 . 1 . . . . . 24 HIS HB2 . 50114 1 137 . 1 . 1 24 24 HIS HB3 H 1 3.347 0.020 . 1 . . . . . 24 HIS HB3 . 50114 1 138 . 1 . 1 24 24 HIS HE2 H 1 9.264 0.020 . 1 . . . . . 24 HIS HE2 . 50114 1 139 . 1 . 1 24 24 HIS C C 13 176.313 0.3 . 1 . . . . . 24 HIS C . 50114 1 140 . 1 . 1 24 24 HIS CA C 13 57.264 0.3 . 1 . . . . . 24 HIS CA . 50114 1 141 . 1 . 1 24 24 HIS CB C 13 28.439 0.3 . 1 . . . . . 24 HIS CB . 50114 1 142 . 1 . 1 24 24 HIS N N 15 117.102 0.3 . 1 . . . . . 24 HIS N . 50114 1 143 . 1 . 1 25 25 ARG H H 1 8.212 0.020 . 1 . . . . . 25 ARG H . 50114 1 144 . 1 . 1 25 25 ARG HA H 1 4.261 0.020 . 1 . . . . . 25 ARG HA . 50114 1 145 . 1 . 1 25 25 ARG HB2 H 1 1.957 0.020 . 1 . . . . . 25 ARG HB2 . 50114 1 146 . 1 . 1 25 25 ARG HB3 H 1 1.957 0.020 . 1 . . . . . 25 ARG HB3 . 50114 1 147 . 1 . 1 25 25 ARG C C 13 177.523 0.3 . 1 . . . . . 25 ARG C . 50114 1 148 . 1 . 1 25 25 ARG CA C 13 57.888 0.3 . 1 . . . . . 25 ARG CA . 50114 1 149 . 1 . 1 25 25 ARG CB C 13 30.311 0.3 . 1 . . . . . 25 ARG CB . 50114 1 150 . 1 . 1 25 25 ARG N N 15 119.905 0.3 . 1 . . . . . 25 ARG N . 50114 1 151 . 1 . 1 26 26 ALA H H 1 8.074 0.020 . 1 . . . . . 26 ALA H . 50114 1 152 . 1 . 1 26 26 ALA HA H 1 4.251 0.020 . 1 . . . . . 26 ALA HA . 50114 1 153 . 1 . 1 26 26 ALA HB1 H 1 1.483 0.020 . 1 . . . . . 26 ALA HB . 50114 1 154 . 1 . 1 26 26 ALA HB2 H 1 1.483 0.020 . 1 . . . . . 26 ALA HB . 50114 1 155 . 1 . 1 26 26 ALA HB3 H 1 1.483 0.020 . 1 . . . . . 26 ALA HB . 50114 1 156 . 1 . 1 26 26 ALA C C 13 178.070 0.3 . 1 . . . . . 26 ALA C . 50114 1 157 . 1 . 1 26 26 ALA CA C 13 54.105 0.3 . 1 . . . . . 26 ALA CA . 50114 1 158 . 1 . 1 26 26 ALA CB C 13 18.756 0.3 . 1 . . . . . 26 ALA CB . 50114 1 159 . 1 . 1 26 26 ALA N N 15 122.659 0.3 . 1 . . . . . 26 ALA N . 50114 1 160 . 1 . 1 27 27 GLU H H 1 8.225 0.020 . 1 . . . . . 27 GLU H . 50114 1 161 . 1 . 1 27 27 GLU HA H 1 4.228 0.020 . 1 . . . . . 27 GLU HA . 50114 1 162 . 1 . 1 27 27 GLU HB2 H 1 2.158 0.020 . 1 . . . . . 27 GLU HB2 . 50114 1 163 . 1 . 1 27 27 GLU HB3 H 1 2.158 0.020 . 1 . . . . . 27 GLU HB3 . 50114 1 164 . 1 . 1 27 27 GLU HG2 H 1 2.364 0.020 . 1 . . . . . 27 GLU HG2 . 50114 1 165 . 1 . 1 27 27 GLU HG3 H 1 2.364 0.020 . 1 . . . . . 27 GLU HG3 . 50114 1 166 . 1 . 1 27 27 GLU C C 13 177.749 0.3 . 1 . . . . . 27 GLU C . 50114 1 167 . 1 . 1 27 27 GLU CA C 13 59.150 0.3 . 1 . . . . . 27 GLU CA . 50114 1 168 . 1 . 1 27 27 GLU CB C 13 29.437 0.3 . 1 . . . . . 27 GLU CB . 50114 1 169 . 1 . 1 27 27 GLU CG C 13 34.081 0.3 . 1 . . . . . 27 GLU CG . 50114 1 170 . 1 . 1 27 27 GLU N N 15 117.904 0.3 . 1 . . . . . 27 GLU N . 50114 1 171 . 1 . 1 28 28 GLN H H 1 8.095 0.020 . 1 . . . . . 28 GLN H . 50114 1 172 . 1 . 1 28 28 GLN HA H 1 4.171 0.020 . 1 . . . . . 28 GLN HA . 50114 1 173 . 1 . 1 28 28 GLN HB2 H 1 2.177 0.020 . 1 . . . . . 28 GLN HB2 . 50114 1 174 . 1 . 1 28 28 GLN HB3 H 1 2.177 0.020 . 1 . . . . . 28 GLN HB3 . 50114 1 175 . 1 . 1 28 28 GLN HG2 H 1 2.430 0.020 . 1 . . . . . 28 GLN HG2 . 50114 1 176 . 1 . 1 28 28 GLN HG3 H 1 2.430 0.020 . 1 . . . . . 28 GLN HG3 . 50114 1 177 . 1 . 1 28 28 GLN HE21 H 1 7.413 0.020 . 1 . . . . . 28 GLN HE21 . 50114 1 178 . 1 . 1 28 28 GLN HE22 H 1 6.785 0.020 . 1 . . . . . 28 GLN HE22 . 50114 1 179 . 1 . 1 28 28 GLN C C 13 177.516 0.3 . 1 . . . . . 28 GLN C . 50114 1 180 . 1 . 1 28 28 GLN CA C 13 57.845 0.3 . 1 . . . . . 28 GLN CA . 50114 1 181 . 1 . 1 28 28 GLN CB C 13 28.711 0.3 . 1 . . . . . 28 GLN CB . 50114 1 182 . 1 . 1 28 28 GLN CG C 13 34.000 0.3 . 1 . . . . . 28 GLN CG . 50114 1 183 . 1 . 1 28 28 GLN N N 15 118.156 0.3 . 1 . . . . . 28 GLN N . 50114 1 184 . 1 . 1 28 28 GLN NE2 N 15 111.317 0.3 . 1 . . . . . 28 GLN NE2 . 50114 1 185 . 1 . 1 29 29 SER H H 1 8.207 0.020 . 1 . . . . . 29 SER H . 50114 1 186 . 1 . 1 29 29 SER HA H 1 4.500 0.020 . 1 . . . . . 29 SER HA . 50114 1 187 . 1 . 1 29 29 SER HB2 H 1 3.937 0.020 . 1 . . . . . 29 SER HB2 . 50114 1 188 . 1 . 1 29 29 SER HB3 H 1 3.937 0.020 . 1 . . . . . 29 SER HB3 . 50114 1 189 . 1 . 1 29 29 SER C C 13 175.990 0.3 . 1 . . . . . 29 SER C . 50114 1 190 . 1 . 1 29 29 SER CA C 13 61.059 0.3 . 1 . . . . . 29 SER CA . 50114 1 191 . 1 . 1 29 29 SER CB C 13 63.906 0.3 . 1 . . . . . 29 SER CB . 50114 1 192 . 1 . 1 29 29 SER N N 15 115.950 0.3 . 1 . . . . . 29 SER N . 50114 1 193 . 1 . 1 30 30 LEU H H 1 8.309 0.020 . 1 . . . . . 30 LEU H . 50114 1 194 . 1 . 1 30 30 LEU HA H 1 4.047 0.020 . 1 . . . . . 30 LEU HA . 50114 1 195 . 1 . 1 30 30 LEU HB2 H 1 1.755 0.020 . 1 . . . . . 30 LEU HB2 . 50114 1 196 . 1 . 1 30 30 LEU HB3 H 1 1.755 0.020 . 1 . . . . . 30 LEU HB3 . 50114 1 197 . 1 . 1 30 30 LEU C C 13 178.424 0.3 . 1 . . . . . 30 LEU C . 50114 1 198 . 1 . 1 30 30 LEU CA C 13 57.492 0.3 . 1 . . . . . 30 LEU CA . 50114 1 199 . 1 . 1 30 30 LEU CB C 13 42.021 0.3 . 1 . . . . . 30 LEU CB . 50114 1 200 . 1 . 1 30 30 LEU CG C 13 26.942 0.3 . 1 . . . . . 30 LEU CG . 50114 1 201 . 1 . 1 30 30 LEU CD1 C 13 24.346 0.3 . 1 . . . . . 30 LEU CD1 . 50114 1 202 . 1 . 1 30 30 LEU N N 15 122.040 0.3 . 1 . . . . . 30 LEU N . 50114 1 203 . 1 . 1 31 31 HIS H H 1 8.159 0.020 . 1 . . . . . 31 HIS H . 50114 1 204 . 1 . 1 31 31 HIS HA H 1 4.557 0.020 . 1 . . . . . 31 HIS HA . 50114 1 205 . 1 . 1 31 31 HIS HB2 H 1 3.380 0.020 . 1 . . . . . 31 HIS HB2 . 50114 1 206 . 1 . 1 31 31 HIS HB3 H 1 3.380 0.020 . 1 . . . . . 31 HIS HB3 . 50114 1 207 . 1 . 1 31 31 HIS C C 13 177.248 0.3 . 1 . . . . . 31 HIS C . 50114 1 208 . 1 . 1 31 31 HIS CA C 13 58.461 0.3 . 1 . . . . . 31 HIS CA . 50114 1 209 . 1 . 1 31 31 HIS CB C 13 29.507 0.3 . 1 . . . . . 31 HIS CB . 50114 1 210 . 1 . 1 31 31 HIS N N 15 117.163 0.3 . 1 . . . . . 31 HIS N . 50114 1 211 . 1 . 1 32 32 ASP H H 1 8.353 0.020 . 1 . . . . . 32 ASP H . 50114 1 212 . 1 . 1 32 32 ASP HA H 1 4.686 0.020 . 1 . . . . . 32 ASP HA . 50114 1 213 . 1 . 1 32 32 ASP HB2 H 1 2.809 0.020 . 1 . . . . . 32 ASP HB2 . 50114 1 214 . 1 . 1 32 32 ASP HB3 H 1 2.809 0.020 . 1 . . . . . 32 ASP HB3 . 50114 1 215 . 1 . 1 32 32 ASP C C 13 178.769 0.3 . 1 . . . . . 32 ASP C . 50114 1 216 . 1 . 1 32 32 ASP CA C 13 57.370 0.3 . 1 . . . . . 32 ASP CA . 50114 1 217 . 1 . 1 32 32 ASP CB C 13 40.515 0.3 . 1 . . . . . 32 ASP CB . 50114 1 218 . 1 . 1 32 32 ASP N N 15 120.695 0.3 . 1 . . . . . 32 ASP N . 50114 1 219 . 1 . 1 33 33 LEU H H 1 8.165 0.020 . 1 . . . . . 33 LEU H . 50114 1 220 . 1 . 1 33 33 LEU HA H 1 4.332 0.020 . 1 . . . . . 33 LEU HA . 50114 1 221 . 1 . 1 33 33 LEU HB2 H 1 1.722 0.020 . 1 . . . . . 33 LEU HB2 . 50114 1 222 . 1 . 1 33 33 LEU HB3 H 1 1.722 0.020 . 1 . . . . . 33 LEU HB3 . 50114 1 223 . 1 . 1 33 33 LEU HG H 1 1.620 0.020 . 1 . . . . . 33 LEU HG . 50114 1 224 . 1 . 1 33 33 LEU HD11 H 1 0.897 0.020 . 1 . . . . . 33 LEU HD1 . 50114 1 225 . 1 . 1 33 33 LEU HD12 H 1 0.897 0.020 . 1 . . . . . 33 LEU HD1 . 50114 1 226 . 1 . 1 33 33 LEU HD13 H 1 0.897 0.020 . 1 . . . . . 33 LEU HD1 . 50114 1 227 . 1 . 1 33 33 LEU HD21 H 1 0.897 0.020 . 1 . . . . . 33 LEU HD2 . 50114 1 228 . 1 . 1 33 33 LEU HD22 H 1 0.897 0.020 . 1 . . . . . 33 LEU HD2 . 50114 1 229 . 1 . 1 33 33 LEU HD23 H 1 0.897 0.020 . 1 . . . . . 33 LEU HD2 . 50114 1 230 . 1 . 1 33 33 LEU C C 13 178.508 0.3 . 1 . . . . . 33 LEU C . 50114 1 231 . 1 . 1 33 33 LEU CA C 13 57.401 0.3 . 1 . . . . . 33 LEU CA . 50114 1 232 . 1 . 1 33 33 LEU CB C 13 41.603 0.3 . 1 . . . . . 33 LEU CB . 50114 1 233 . 1 . 1 33 33 LEU CG C 13 26.942 0.3 . 1 . . . . . 33 LEU CG . 50114 1 234 . 1 . 1 33 33 LEU CD1 C 13 23.764 0.3 . 1 . . . . . 33 LEU CD1 . 50114 1 235 . 1 . 1 33 33 LEU N N 15 121.770 0.3 . 1 . . . . . 33 LEU N . 50114 1 236 . 1 . 1 34 34 GLN H H 1 8.374 0.020 . 1 . . . . . 34 GLN H . 50114 1 237 . 1 . 1 34 34 GLN HA H 1 4.055 0.020 . 1 . . . . . 34 GLN HA . 50114 1 238 . 1 . 1 34 34 GLN HB2 H 1 2.171 0.020 . 1 . . . . . 34 GLN HB2 . 50114 1 239 . 1 . 1 34 34 GLN HB3 H 1 2.171 0.020 . 1 . . . . . 34 GLN HB3 . 50114 1 240 . 1 . 1 34 34 GLN C C 13 178.239 0.3 . 1 . . . . . 34 GLN C . 50114 1 241 . 1 . 1 34 34 GLN CA C 13 59.955 0.3 . 1 . . . . . 34 GLN CA . 50114 1 242 . 1 . 1 34 34 GLN CB C 13 28.634 0.3 . 1 . . . . . 34 GLN CB . 50114 1 243 . 1 . 1 34 34 GLN CG C 13 32.264 0.3 . 1 . . . . . 34 GLN CG . 50114 1 244 . 1 . 1 34 34 GLN N N 15 118.293 0.3 . 1 . . . . . 34 GLN N . 50114 1 245 . 1 . 1 35 35 GLU H H 1 7.949 0.020 . 1 . . . . . 35 GLU H . 50114 1 246 . 1 . 1 35 35 GLU HA H 1 4.084 0.020 . 1 . . . . . 35 GLU HA . 50114 1 247 . 1 . 1 35 35 GLU HB2 H 1 2.173 0.020 . 1 . . . . . 35 GLU HB2 . 50114 1 248 . 1 . 1 35 35 GLU HB3 H 1 2.173 0.020 . 1 . . . . . 35 GLU HB3 . 50114 1 249 . 1 . 1 35 35 GLU C C 13 179.350 0.3 . 1 . . . . . 35 GLU C . 50114 1 250 . 1 . 1 35 35 GLU CA C 13 59.357 0.3 . 1 . . . . . 35 GLU CA . 50114 1 251 . 1 . 1 35 35 GLU CB C 13 29.436 0.3 . 1 . . . . . 35 GLU CB . 50114 1 252 . 1 . 1 35 35 GLU CG C 13 36.028 0.3 . 1 . . . . . 35 GLU CG . 50114 1 253 . 1 . 1 35 35 GLU N N 15 118.598 0.3 . 1 . . . . . 35 GLU N . 50114 1 254 . 1 . 1 36 36 ARG H H 1 8.021 0.020 . 1 . . . . . 36 ARG H . 50114 1 255 . 1 . 1 36 36 ARG HA H 1 4.100 0.020 . 1 . . . . . 36 ARG HA . 50114 1 256 . 1 . 1 36 36 ARG HB2 H 1 1.958 0.020 . 1 . . . . . 36 ARG HB2 . 50114 1 257 . 1 . 1 36 36 ARG HB3 H 1 1.958 0.020 . 1 . . . . . 36 ARG HB3 . 50114 1 258 . 1 . 1 36 36 ARG HG2 H 1 1.712 0.020 . 1 . . . . . 36 ARG HG2 . 50114 1 259 . 1 . 1 36 36 ARG HG3 H 1 1.712 0.020 . 1 . . . . . 36 ARG HG3 . 50114 1 260 . 1 . 1 36 36 ARG HD2 H 1 3.184 0.020 . 1 . . . . . 36 ARG HD2 . 50114 1 261 . 1 . 1 36 36 ARG HD3 H 1 3.184 0.020 . 1 . . . . . 36 ARG HD3 . 50114 1 262 . 1 . 1 36 36 ARG C C 13 179.363 0.3 . 1 . . . . . 36 ARG C . 50114 1 263 . 1 . 1 36 36 ARG CA C 13 58.278 0.3 . 1 . . . . . 36 ARG CA . 50114 1 264 . 1 . 1 36 36 ARG CB C 13 29.171 0.3 . 1 . . . . . 36 ARG CB . 50114 1 265 . 1 . 1 36 36 ARG CD C 13 43.340 0.3 . 1 . . . . . 36 ARG CD . 50114 1 266 . 1 . 1 36 36 ARG N N 15 120.088 0.3 . 1 . . . . . 36 ARG N . 50114 1 267 . 1 . 1 39 39 LYS H H 1 7.567 0.020 . 1 . . . . . 39 LYS H . 50114 1 268 . 1 . 1 39 39 LYS HA H 1 4.022 0.020 . 1 . . . . . 39 LYS HA . 50114 1 269 . 1 . 1 39 39 LYS HB2 H 1 1.920 0.020 . 1 . . . . . 39 LYS HB2 . 50114 1 270 . 1 . 1 39 39 LYS HB3 H 1 1.920 0.020 . 1 . . . . . 39 LYS HB3 . 50114 1 271 . 1 . 1 39 39 LYS HG2 H 1 1.475 0.020 . 1 . . . . . 39 LYS HG2 . 50114 1 272 . 1 . 1 39 39 LYS HG3 H 1 1.475 0.020 . 1 . . . . . 39 LYS HG3 . 50114 1 273 . 1 . 1 39 39 LYS HD2 H 1 1.731 0.020 . 1 . . . . . 39 LYS HD2 . 50114 1 274 . 1 . 1 39 39 LYS HD3 H 1 1.731 0.020 . 1 . . . . . 39 LYS HD3 . 50114 1 275 . 1 . 1 39 39 LYS HE2 H 1 3.025 0.020 . 1 . . . . . 39 LYS HE2 . 50114 1 276 . 1 . 1 39 39 LYS HE3 H 1 3.025 0.020 . 1 . . . . . 39 LYS HE3 . 50114 1 277 . 1 . 1 39 39 LYS C C 13 178.190 0.3 . 1 . . . . . 39 LYS C . 50114 1 278 . 1 . 1 39 39 LYS CA C 13 59.232 0.3 . 1 . . . . . 39 LYS CA . 50114 1 279 . 1 . 1 39 39 LYS CB C 13 32.255 0.3 . 1 . . . . . 39 LYS CB . 50114 1 280 . 1 . 1 39 39 LYS CG C 13 25.255 0.3 . 1 . . . . . 39 LYS CG . 50114 1 281 . 1 . 1 39 39 LYS CD C 13 29.148 0.3 . 1 . . . . . 39 LYS CD . 50114 1 282 . 1 . 1 39 39 LYS CE C 13 42.388 0.3 . 1 . . . . . 39 LYS CE . 50114 1 283 . 1 . 1 39 39 LYS N N 15 118.785 0.3 . 1 . . . . . 39 LYS N . 50114 1 284 . 1 . 1 40 40 ALA H H 1 7.976 0.020 . 1 . . . . . 40 ALA H . 50114 1 285 . 1 . 1 40 40 ALA HA H 1 4.175 0.020 . 1 . . . . . 40 ALA HA . 50114 1 286 . 1 . 1 40 40 ALA HB1 H 1 1.567 0.020 . 1 . . . . . 40 ALA HB . 50114 1 287 . 1 . 1 40 40 ALA HB2 H 1 1.567 0.020 . 1 . . . . . 40 ALA HB . 50114 1 288 . 1 . 1 40 40 ALA HB3 H 1 1.567 0.020 . 1 . . . . . 40 ALA HB . 50114 1 289 . 1 . 1 40 40 ALA C C 13 179.863 0.3 . 1 . . . . . 40 ALA C . 50114 1 290 . 1 . 1 40 40 ALA CA C 13 55.375 0.3 . 1 . . . . . 40 ALA CA . 50114 1 291 . 1 . 1 40 40 ALA CB C 13 18.578 0.3 . 1 . . . . . 40 ALA CB . 50114 1 292 . 1 . 1 40 40 ALA N N 15 121.697 0.3 . 1 . . . . . 40 ALA N . 50114 1 293 . 1 . 1 41 41 GLN H H 1 8.176 0.020 . 1 . . . . . 41 GLN H . 50114 1 294 . 1 . 1 41 41 GLN HA H 1 4.127 0.020 . 1 . . . . . 41 GLN HA . 50114 1 295 . 1 . 1 41 41 GLN HB2 H 1 2.205 0.020 . 1 . . . . . 41 GLN HB2 . 50114 1 296 . 1 . 1 41 41 GLN HB3 H 1 2.205 0.020 . 1 . . . . . 41 GLN HB3 . 50114 1 297 . 1 . 1 41 41 GLN HG2 H 1 2.553 0.020 . 1 . . . . . 41 GLN HG2 . 50114 1 298 . 1 . 1 41 41 GLN HG3 H 1 2.553 0.020 . 1 . . . . . 41 GLN HG3 . 50114 1 299 . 1 . 1 41 41 GLN C C 13 178.373 0.3 . 1 . . . . . 41 GLN C . 50114 1 300 . 1 . 1 41 41 GLN CA C 13 58.583 0.3 . 1 . . . . . 41 GLN CA . 50114 1 301 . 1 . 1 41 41 GLN CB C 13 29.049 0.3 . 1 . . . . . 41 GLN CB . 50114 1 302 . 1 . 1 41 41 GLN CG C 13 34.064 0.3 . 1 . . . . . 41 GLN CG . 50114 1 303 . 1 . 1 41 41 GLN N N 15 117.070 0.3 . 1 . . . . . 41 GLN N . 50114 1 304 . 1 . 1 42 42 GLU H H 1 7.991 0.020 . 1 . . . . . 42 GLU H . 50114 1 305 . 1 . 1 42 42 GLU HA H 1 4.096 0.020 . 1 . . . . . 42 GLU HA . 50114 1 306 . 1 . 1 42 42 GLU HB2 H 1 2.151 0.020 . 1 . . . . . 42 GLU HB2 . 50114 1 307 . 1 . 1 42 42 GLU HB3 H 1 2.151 0.020 . 1 . . . . . 42 GLU HB3 . 50114 1 308 . 1 . 1 42 42 GLU HG2 H 1 2.287 0.020 . 1 . . . . . 42 GLU HG2 . 50114 1 309 . 1 . 1 42 42 GLU HG3 H 1 2.287 0.020 . 1 . . . . . 42 GLU HG3 . 50114 1 310 . 1 . 1 42 42 GLU C C 13 178.124 0.3 . 1 . . . . . 42 GLU C . 50114 1 311 . 1 . 1 42 42 GLU CA C 13 58.459 0.3 . 1 . . . . . 42 GLU CA . 50114 1 312 . 1 . 1 42 42 GLU CB C 13 29.927 0.3 . 1 . . . . . 42 GLU CB . 50114 1 313 . 1 . 1 42 42 GLU CG C 13 36.028 0.3 . 1 . . . . . 42 GLU CG . 50114 1 314 . 1 . 1 42 42 GLU N N 15 119.335 0.3 . 1 . . . . . 42 GLU N . 50114 1 315 . 1 . 1 43 43 GLU H H 1 7.939 0.020 . 1 . . . . . 43 GLU H . 50114 1 316 . 1 . 1 43 43 GLU HA H 1 4.224 0.020 . 1 . . . . . 43 GLU HA . 50114 1 317 . 1 . 1 43 43 GLU HB2 H 1 2.021 0.020 . 1 . . . . . 43 GLU HB2 . 50114 1 318 . 1 . 1 43 43 GLU HB3 H 1 2.021 0.020 . 1 . . . . . 43 GLU HB3 . 50114 1 319 . 1 . 1 43 43 GLU HG2 H 1 2.382 0.020 . 1 . . . . . 43 GLU HG2 . 50114 1 320 . 1 . 1 43 43 GLU HG3 H 1 2.382 0.020 . 1 . . . . . 43 GLU HG3 . 50114 1 321 . 1 . 1 43 43 GLU C C 13 176.444 0.3 . 1 . . . . . 43 GLU C . 50114 1 322 . 1 . 1 43 43 GLU CA C 13 56.792 0.3 . 1 . . . . . 43 GLU CA . 50114 1 323 . 1 . 1 43 43 GLU CB C 13 30.065 0.3 . 1 . . . . . 43 GLU CB . 50114 1 324 . 1 . 1 43 43 GLU CG C 13 36.491 0.3 . 1 . . . . . 43 GLU CG . 50114 1 325 . 1 . 1 43 43 GLU N N 15 116.976 0.3 . 1 . . . . . 43 GLU N . 50114 1 326 . 1 . 1 44 44 HIS H H 1 7.957 0.020 . 1 . . . . . 44 HIS H . 50114 1 327 . 1 . 1 44 44 HIS HA H 1 4.618 0.020 . 1 . . . . . 44 HIS HA . 50114 1 328 . 1 . 1 44 44 HIS HB2 H 1 3.391 0.020 . 1 . . . . . 44 HIS HB2 . 50114 1 329 . 1 . 1 44 44 HIS HB3 H 1 3.391 0.020 . 1 . . . . . 44 HIS HB3 . 50114 1 330 . 1 . 1 44 44 HIS C C 13 174.424 0.3 . 1 . . . . . 44 HIS C . 50114 1 331 . 1 . 1 44 44 HIS CA C 13 56.987 0.3 . 1 . . . . . 44 HIS CA . 50114 1 332 . 1 . 1 44 44 HIS CB C 13 28.305 0.3 . 1 . . . . . 44 HIS CB . 50114 1 333 . 1 . 1 44 44 HIS N N 15 116.728 0.3 . 1 . . . . . 44 HIS N . 50114 1 334 . 1 . 1 45 45 ARG H H 1 8.178 0.020 . 1 . . . . . 45 ARG H . 50114 1 335 . 1 . 1 45 45 ARG HA H 1 4.410 0.020 . 1 . . . . . 45 ARG HA . 50114 1 336 . 1 . 1 45 45 ARG HB2 H 1 1.868 0.020 . 1 . . . . . 45 ARG HB2 . 50114 1 337 . 1 . 1 45 45 ARG HB3 H 1 1.868 0.020 . 1 . . . . . 45 ARG HB3 . 50114 1 338 . 1 . 1 45 45 ARG HG2 H 1 1.640 0.020 . 1 . . . . . 45 ARG HG2 . 50114 1 339 . 1 . 1 45 45 ARG HG3 H 1 1.640 0.020 . 1 . . . . . 45 ARG HG3 . 50114 1 340 . 1 . 1 45 45 ARG HD2 H 1 3.356 0.020 . 1 . . . . . 45 ARG HD2 . 50114 1 341 . 1 . 1 45 45 ARG HD3 H 1 3.356 0.020 . 1 . . . . . 45 ARG HD3 . 50114 1 342 . 1 . 1 45 45 ARG C C 13 176.243 0.3 . 1 . . . . . 45 ARG C . 50114 1 343 . 1 . 1 45 45 ARG CA C 13 56.643 0.3 . 1 . . . . . 45 ARG CA . 50114 1 344 . 1 . 1 45 45 ARG CB C 13 30.853 0.3 . 1 . . . . . 45 ARG CB . 50114 1 345 . 1 . 1 45 45 ARG CG C 13 27.261 0.3 . 1 . . . . . 45 ARG CG . 50114 1 346 . 1 . 1 45 45 ARG CD C 13 43.511 0.3 . 1 . . . . . 45 ARG CD . 50114 1 347 . 1 . 1 45 45 ARG N N 15 119.854 0.3 . 1 . . . . . 45 ARG N . 50114 1 348 . 1 . 1 46 46 THR H H 1 8.061 0.020 . 1 . . . . . 46 THR H . 50114 1 349 . 1 . 1 46 46 THR HA H 1 4.462 0.020 . 1 . . . . . 46 THR HA . 50114 1 350 . 1 . 1 46 46 THR HB H 1 4.270 0.020 . 1 . . . . . 46 THR HB . 50114 1 351 . 1 . 1 46 46 THR HG21 H 1 1.237 0.020 . 1 . . . . . 46 THR HG2 . 50114 1 352 . 1 . 1 46 46 THR HG22 H 1 1.237 0.020 . 1 . . . . . 46 THR HG2 . 50114 1 353 . 1 . 1 46 46 THR HG23 H 1 1.237 0.020 . 1 . . . . . 46 THR HG2 . 50114 1 354 . 1 . 1 46 46 THR C C 13 174.545 0.3 . 1 . . . . . 46 THR C . 50114 1 355 . 1 . 1 46 46 THR CA C 13 61.661 0.3 . 1 . . . . . 46 THR CA . 50114 1 356 . 1 . 1 46 46 THR CB C 13 69.995 0.3 . 1 . . . . . 46 THR CB . 50114 1 357 . 1 . 1 46 46 THR CG2 C 13 21.551 0.3 . 1 . . . . . 46 THR CG2 . 50114 1 358 . 1 . 1 46 46 THR N N 15 113.874 0.3 . 1 . . . . . 46 THR N . 50114 1 359 . 1 . 1 47 47 VAL H H 1 7.992 0.020 . 1 . . . . . 47 VAL H . 50114 1 360 . 1 . 1 47 47 VAL HA H 1 4.232 0.020 . 1 . . . . . 47 VAL HA . 50114 1 361 . 1 . 1 47 47 VAL HB H 1 2.106 0.020 . 1 . . . . . 47 VAL HB . 50114 1 362 . 1 . 1 47 47 VAL HG11 H 1 0.970 0.020 . 1 . . . . . 47 VAL HG1 . 50114 1 363 . 1 . 1 47 47 VAL HG12 H 1 0.970 0.020 . 1 . . . . . 47 VAL HG1 . 50114 1 364 . 1 . 1 47 47 VAL HG13 H 1 0.970 0.020 . 1 . . . . . 47 VAL HG1 . 50114 1 365 . 1 . 1 47 47 VAL C C 13 175.527 0.3 . 1 . . . . . 47 VAL C . 50114 1 366 . 1 . 1 47 47 VAL CA C 13 62.259 0.3 . 1 . . . . . 47 VAL CA . 50114 1 367 . 1 . 1 47 47 VAL CB C 13 32.917 0.3 . 1 . . . . . 47 VAL CB . 50114 1 368 . 1 . 1 47 47 VAL CG1 C 13 20.958 0.3 . 1 . . . . . 47 VAL CG1 . 50114 1 369 . 1 . 1 47 47 VAL N N 15 121.087 0.3 . 1 . . . . . 47 VAL N . 50114 1 370 . 1 . 1 48 48 GLU H H 1 8.290 0.020 . 1 . . . . . 48 GLU H . 50114 1 371 . 1 . 1 48 48 GLU HA H 1 4.403 0.020 . 1 . . . . . 48 GLU HA . 50114 1 372 . 1 . 1 48 48 GLU HB2 H 1 1.926 0.020 . 1 . . . . . 48 GLU HB2 . 50114 1 373 . 1 . 1 48 48 GLU HB3 H 1 1.926 0.020 . 1 . . . . . 48 GLU HB3 . 50114 1 374 . 1 . 1 48 48 GLU HG2 H 1 2.281 0.020 . 1 . . . . . 48 GLU HG2 . 50114 1 375 . 1 . 1 48 48 GLU HG3 H 1 2.281 0.020 . 1 . . . . . 48 GLU HG3 . 50114 1 376 . 1 . 1 48 48 GLU C C 13 176.286 0.3 . 1 . . . . . 48 GLU C . 50114 1 377 . 1 . 1 48 48 GLU CA C 13 56.363 0.3 . 1 . . . . . 48 GLU CA . 50114 1 378 . 1 . 1 48 48 GLU CB C 13 30.743 0.3 . 1 . . . . . 48 GLU CB . 50114 1 379 . 1 . 1 48 48 GLU CG C 13 36.157 0.3 . 1 . . . . . 48 GLU CG . 50114 1 380 . 1 . 1 48 48 GLU N N 15 124.355 0.3 . 1 . . . . . 48 GLU N . 50114 1 381 . 1 . 1 49 49 VAL H H 1 7.952 0.020 . 1 . . . . . 49 VAL H . 50114 1 382 . 1 . 1 49 49 VAL HA H 1 4.046 0.020 . 1 . . . . . 49 VAL HA . 50114 1 383 . 1 . 1 49 49 VAL HB H 1 2.125 0.020 . 1 . . . . . 49 VAL HB . 50114 1 384 . 1 . 1 49 49 VAL HG11 H 1 0.918 0.020 . 1 . . . . . 49 VAL HG1 . 50114 1 385 . 1 . 1 49 49 VAL HG12 H 1 0.918 0.020 . 1 . . . . . 49 VAL HG1 . 50114 1 386 . 1 . 1 49 49 VAL HG13 H 1 0.918 0.020 . 1 . . . . . 49 VAL HG1 . 50114 1 387 . 1 . 1 49 49 VAL C C 13 175.984 0.3 . 1 . . . . . 49 VAL C . 50114 1 388 . 1 . 1 49 49 VAL CA C 13 62.855 0.3 . 1 . . . . . 49 VAL CA . 50114 1 389 . 1 . 1 49 49 VAL CB C 13 32.058 0.3 . 1 . . . . . 49 VAL CB . 50114 1 390 . 1 . 1 49 49 VAL CG1 C 13 21.336 0.3 . 1 . . . . . 49 VAL CG1 . 50114 1 391 . 1 . 1 49 49 VAL N N 15 120.618 0.3 . 1 . . . . . 49 VAL N . 50114 1 392 . 1 . 1 50 50 GLU H H 1 8.507 0.020 . 1 . . . . . 50 GLU H . 50114 1 393 . 1 . 1 50 50 GLU C C 13 176.995 0.3 . 1 . . . . . 50 GLU C . 50114 1 394 . 1 . 1 50 50 GLU CA C 13 57.114 0.3 . 1 . . . . . 50 GLU CA . 50114 1 395 . 1 . 1 50 50 GLU CB C 13 30.047 0.3 . 1 . . . . . 50 GLU CB . 50114 1 396 . 1 . 1 50 50 GLU N N 15 122.992 0.3 . 1 . . . . . 50 GLU N . 50114 1 397 . 1 . 1 51 51 LYS H H 1 8.160 0.020 . 1 . . . . . 51 LYS H . 50114 1 398 . 1 . 1 51 51 LYS HA H 1 4.341 0.020 . 1 . . . . . 51 LYS HA . 50114 1 399 . 1 . 1 51 51 LYS HB2 H 1 1.896 0.020 . 1 . . . . . 51 LYS HB2 . 50114 1 400 . 1 . 1 51 51 LYS HB3 H 1 1.896 0.020 . 1 . . . . . 51 LYS HB3 . 50114 1 401 . 1 . 1 51 51 LYS CA C 13 56.586 0.3 . 1 . . . . . 51 LYS CA . 50114 1 402 . 1 . 1 51 51 LYS CB C 13 32.855 0.3 . 1 . . . . . 51 LYS CB . 50114 1 403 . 1 . 1 51 51 LYS N N 15 121.080 0.3 . 1 . . . . . 51 LYS N . 50114 1 404 . 1 . 1 52 52 VAL HA H 1 3.681 0.020 . 1 . . . . . 52 VAL HA . 50114 1 405 . 1 . 1 52 52 VAL HB H 1 2.286 0.020 . 1 . . . . . 52 VAL HB . 50114 1 406 . 1 . 1 52 52 VAL HG11 H 1 1.093 0.020 . 1 . . . . . 52 VAL HG1 . 50114 1 407 . 1 . 1 52 52 VAL HG12 H 1 1.093 0.020 . 1 . . . . . 52 VAL HG1 . 50114 1 408 . 1 . 1 52 52 VAL HG13 H 1 1.093 0.020 . 1 . . . . . 52 VAL HG1 . 50114 1 409 . 1 . 1 52 52 VAL CA C 13 66.042 0.3 . 1 . . . . . 52 VAL CA . 50114 1 410 . 1 . 1 52 52 VAL CB C 13 31.355 0.3 . 1 . . . . . 52 VAL CB . 50114 1 411 . 1 . 1 52 52 VAL CG1 C 13 23.000 0.3 . 1 . . . . . 52 VAL CG1 . 50114 1 412 . 1 . 1 55 55 GLU H H 1 8.287 0.020 . 1 . . . . . 55 GLU H . 50114 1 413 . 1 . 1 55 55 GLU HA H 1 4.411 0.020 . 1 . . . . . 55 GLU HA . 50114 1 414 . 1 . 1 55 55 GLU HB2 H 1 2.170 0.020 . 1 . . . . . 55 GLU HB2 . 50114 1 415 . 1 . 1 55 55 GLU HB3 H 1 2.170 0.020 . 1 . . . . . 55 GLU HB3 . 50114 1 416 . 1 . 1 55 55 GLU CA C 13 58.799 0.3 . 1 . . . . . 55 GLU CA . 50114 1 417 . 1 . 1 55 55 GLU CB C 13 28.064 0.3 . 1 . . . . . 55 GLU CB . 50114 1 418 . 1 . 1 55 55 GLU N N 15 117.004 0.3 . 1 . . . . . 55 GLU N . 50114 1 419 . 1 . 1 57 57 LYS H H 1 8.170 0.020 . 1 . . . . . 57 LYS H . 50114 1 420 . 1 . 1 57 57 LYS HA H 1 3.970 0.020 . 1 . . . . . 57 LYS HA . 50114 1 421 . 1 . 1 57 57 LYS HB2 H 1 2.127 0.020 . 1 . . . . . 57 LYS HB2 . 50114 1 422 . 1 . 1 57 57 LYS HB3 H 1 2.127 0.020 . 1 . . . . . 57 LYS HB3 . 50114 1 423 . 1 . 1 57 57 LYS HG2 H 1 1.468 0.020 . 1 . . . . . 57 LYS HG2 . 50114 1 424 . 1 . 1 57 57 LYS HG3 H 1 1.468 0.020 . 1 . . . . . 57 LYS HG3 . 50114 1 425 . 1 . 1 57 57 LYS HD2 H 1 1.702 0.020 . 1 . . . . . 57 LYS HD2 . 50114 1 426 . 1 . 1 57 57 LYS HD3 H 1 1.702 0.020 . 1 . . . . . 57 LYS HD3 . 50114 1 427 . 1 . 1 57 57 LYS HE2 H 1 3.038 0.020 . 1 . . . . . 57 LYS HE2 . 50114 1 428 . 1 . 1 57 57 LYS HE3 H 1 3.038 0.020 . 1 . . . . . 57 LYS HE3 . 50114 1 429 . 1 . 1 57 57 LYS C C 13 178.366 0.3 . 1 . . . . . 57 LYS C . 50114 1 430 . 1 . 1 57 57 LYS CA C 13 59.884 0.3 . 1 . . . . . 57 LYS CA . 50114 1 431 . 1 . 1 57 57 LYS CB C 13 32.348 0.3 . 1 . . . . . 57 LYS CB . 50114 1 432 . 1 . 1 57 57 LYS CG C 13 25.384 0.3 . 1 . . . . . 57 LYS CG . 50114 1 433 . 1 . 1 57 57 LYS CD C 13 29.408 0.3 . 1 . . . . . 57 LYS CD . 50114 1 434 . 1 . 1 57 57 LYS N N 15 117.955 0.3 . 1 . . . . . 57 LYS N . 50114 1 435 . 1 . 1 59 59 ARG H H 1 8.135 0.020 . 1 . . . . . 59 ARG H . 50114 1 436 . 1 . 1 59 59 ARG HA H 1 4.129 0.020 . 1 . . . . . 59 ARG HA . 50114 1 437 . 1 . 1 59 59 ARG HB2 H 1 1.634 0.020 . 1 . . . . . 59 ARG HB2 . 50114 1 438 . 1 . 1 59 59 ARG HB3 H 1 1.634 0.020 . 1 . . . . . 59 ARG HB3 . 50114 1 439 . 1 . 1 59 59 ARG HG2 H 1 1.616 0.020 . 1 . . . . . 59 ARG HG2 . 50114 1 440 . 1 . 1 59 59 ARG HG3 H 1 1.616 0.020 . 1 . . . . . 59 ARG HG3 . 50114 1 441 . 1 . 1 59 59 ARG HD2 H 1 3.024 0.020 . 1 . . . . . 59 ARG HD2 . 50114 1 442 . 1 . 1 59 59 ARG C C 13 175.963 0.3 . 1 . . . . . 59 ARG C . 50114 1 443 . 1 . 1 59 59 ARG CA C 13 58.248 0.3 . 1 . . . . . 59 ARG CA . 50114 1 444 . 1 . 1 59 59 ARG CB C 13 30.902 0.3 . 1 . . . . . 59 ARG CB . 50114 1 445 . 1 . 1 59 59 ARG CG C 13 27.600 0.3 . 1 . . . . . 59 ARG CG . 50114 1 446 . 1 . 1 59 59 ARG CD C 13 41.677 0.3 . 1 . . . . . 59 ARG CD . 50114 1 447 . 1 . 1 59 59 ARG N N 15 119.417 0.3 . 1 . . . . . 59 ARG N . 50114 1 448 . 1 . 1 62 62 ILE H H 1 8.338 0.020 . 1 . . . . . 62 ILE H . 50114 1 449 . 1 . 1 62 62 ILE HA H 1 3.702 0.020 . 1 . . . . . 62 ILE HA . 50114 1 450 . 1 . 1 62 62 ILE HB H 1 2.031 0.020 . 1 . . . . . 62 ILE HB . 50114 1 451 . 1 . 1 62 62 ILE HG12 H 1 1.166 0.020 . 1 . . . . . 62 ILE HG12 . 50114 1 452 . 1 . 1 62 62 ILE HG13 H 1 1.166 0.020 . 1 . . . . . 62 ILE HG13 . 50114 1 453 . 1 . 1 62 62 ILE HG21 H 1 0.984 0.020 . 1 . . . . . 62 ILE HG2 . 50114 1 454 . 1 . 1 62 62 ILE HG22 H 1 0.984 0.020 . 1 . . . . . 62 ILE HG2 . 50114 1 455 . 1 . 1 62 62 ILE HG23 H 1 0.984 0.020 . 1 . . . . . 62 ILE HG2 . 50114 1 456 . 1 . 1 62 62 ILE HD11 H 1 0.874 0.020 . 1 . . . . . 62 ILE HD1 . 50114 1 457 . 1 . 1 62 62 ILE HD12 H 1 0.874 0.020 . 1 . . . . . 62 ILE HD1 . 50114 1 458 . 1 . 1 62 62 ILE HD13 H 1 0.874 0.020 . 1 . . . . . 62 ILE HD1 . 50114 1 459 . 1 . 1 62 62 ILE C C 13 178.079 0.3 . 1 . . . . . 62 ILE C . 50114 1 460 . 1 . 1 62 62 ILE CA C 13 64.705 0.3 . 1 . . . . . 62 ILE CA . 50114 1 461 . 1 . 1 62 62 ILE CB C 13 37.555 0.3 . 1 . . . . . 62 ILE CB . 50114 1 462 . 1 . 1 62 62 ILE CG1 C 13 29.336 0.3 . 1 . . . . . 62 ILE CG1 . 50114 1 463 . 1 . 1 62 62 ILE CG2 C 13 17.640 0.3 . 1 . . . . . 62 ILE CG2 . 50114 1 464 . 1 . 1 62 62 ILE CD1 C 13 13.316 0.3 . 1 . . . . . 62 ILE CD1 . 50114 1 465 . 1 . 1 62 62 ILE N N 15 119.729 0.3 . 1 . . . . . 62 ILE N . 50114 1 466 . 1 . 1 63 63 ASN H H 1 8.086 0.020 . 1 . . . . . 63 ASN H . 50114 1 467 . 1 . 1 63 63 ASN HA H 1 4.496 0.020 . 1 . . . . . 63 ASN HA . 50114 1 468 . 1 . 1 63 63 ASN HB2 H 1 2.867 0.020 . 1 . . . . . 63 ASN HB2 . 50114 1 469 . 1 . 1 63 63 ASN HB3 H 1 2.867 0.020 . 1 . . . . . 63 ASN HB3 . 50114 1 470 . 1 . 1 63 63 ASN C C 13 175.193 0.3 . 1 . . . . . 63 ASN C . 50114 1 471 . 1 . 1 63 63 ASN CA C 13 56.536 0.3 . 1 . . . . . 63 ASN CA . 50114 1 472 . 1 . 1 63 63 ASN CB C 13 38.298 0.3 . 1 . . . . . 63 ASN CB . 50114 1 473 . 1 . 1 63 63 ASN N N 15 118.351 0.3 . 1 . . . . . 63 ASN N . 50114 1 474 . 1 . 1 64 64 LEU H H 1 7.867 0.020 . 1 . . . . . 64 LEU H . 50114 1 475 . 1 . 1 64 64 LEU HA H 1 4.248 0.020 . 1 . . . . . 64 LEU HA . 50114 1 476 . 1 . 1 64 64 LEU HB2 H 1 1.773 0.020 . 1 . . . . . 64 LEU HB2 . 50114 1 477 . 1 . 1 64 64 LEU HB3 H 1 1.773 0.020 . 1 . . . . . 64 LEU HB3 . 50114 1 478 . 1 . 1 64 64 LEU HG H 1 1.499 0.020 . 1 . . . . . 64 LEU HG . 50114 1 479 . 1 . 1 64 64 LEU HD11 H 1 0.964 0.020 . 1 . . . . . 64 LEU HD1 . 50114 1 480 . 1 . 1 64 64 LEU HD12 H 1 0.964 0.020 . 1 . . . . . 64 LEU HD1 . 50114 1 481 . 1 . 1 64 64 LEU HD13 H 1 0.964 0.020 . 1 . . . . . 64 LEU HD1 . 50114 1 482 . 1 . 1 64 64 LEU HD21 H 1 0.964 0.020 . 1 . . . . . 64 LEU HD2 . 50114 1 483 . 1 . 1 64 64 LEU HD22 H 1 0.964 0.020 . 1 . . . . . 64 LEU HD2 . 50114 1 484 . 1 . 1 64 64 LEU HD23 H 1 0.964 0.020 . 1 . . . . . 64 LEU HD2 . 50114 1 485 . 1 . 1 64 64 LEU C C 13 179.037 0.3 . 1 . . . . . 64 LEU C . 50114 1 486 . 1 . 1 64 64 LEU CA C 13 57.885 0.3 . 1 . . . . . 64 LEU CA . 50114 1 487 . 1 . 1 64 64 LEU CB C 13 41.759 0.3 . 1 . . . . . 64 LEU CB . 50114 1 488 . 1 . 1 64 64 LEU CG C 13 24.700 0.3 . 1 . . . . . 64 LEU CG . 50114 1 489 . 1 . 1 64 64 LEU CD1 C 13 25.340 0.3 . 1 . . . . . 64 LEU CD1 . 50114 1 490 . 1 . 1 64 64 LEU N N 15 121.342 0.3 . 1 . . . . . 64 LEU N . 50114 1 491 . 1 . 1 65 65 ALA H H 1 8.316 0.020 . 1 . . . . . 65 ALA H . 50114 1 492 . 1 . 1 65 65 ALA HA H 1 4.061 0.020 . 1 . . . . . 65 ALA HA . 50114 1 493 . 1 . 1 65 65 ALA HB1 H 1 1.513 0.020 . 1 . . . . . 65 ALA HB . 50114 1 494 . 1 . 1 65 65 ALA HB2 H 1 1.513 0.020 . 1 . . . . . 65 ALA HB . 50114 1 495 . 1 . 1 65 65 ALA HB3 H 1 1.513 0.020 . 1 . . . . . 65 ALA HB . 50114 1 496 . 1 . 1 65 65 ALA C C 13 179.188 0.3 . 1 . . . . . 65 ALA C . 50114 1 497 . 1 . 1 65 65 ALA CA C 13 55.171 0.3 . 1 . . . . . 65 ALA CA . 50114 1 498 . 1 . 1 65 65 ALA CB C 13 18.277 0.3 . 1 . . . . . 65 ALA CB . 50114 1 499 . 1 . 1 65 65 ALA N N 15 122.273 0.3 . 1 . . . . . 65 ALA N . 50114 1 500 . 1 . 1 66 66 LYS H H 1 8.408 0.020 . 1 . . . . . 66 LYS H . 50114 1 501 . 1 . 1 66 66 LYS HA H 1 3.952 0.020 . 1 . . . . . 66 LYS HA . 50114 1 502 . 1 . 1 66 66 LYS HB2 H 1 1.984 0.020 . 1 . . . . . 66 LYS HB2 . 50114 1 503 . 1 . 1 66 66 LYS HB3 H 1 1.984 0.020 . 1 . . . . . 66 LYS HB3 . 50114 1 504 . 1 . 1 66 66 LYS HG2 H 1 1.465 0.020 . 1 . . . . . 66 LYS HG2 . 50114 1 505 . 1 . 1 66 66 LYS HG3 H 1 1.465 0.020 . 1 . . . . . 66 LYS HG3 . 50114 1 506 . 1 . 1 66 66 LYS HD2 H 1 1.761 0.020 . 1 . . . . . 66 LYS HD2 . 50114 1 507 . 1 . 1 66 66 LYS HD3 H 1 1.761 0.020 . 1 . . . . . 66 LYS HD3 . 50114 1 508 . 1 . 1 66 66 LYS HE2 H 1 3.027 0.020 . 1 . . . . . 66 LYS HE2 . 50114 1 509 . 1 . 1 66 66 LYS HE3 H 1 3.027 0.020 . 1 . . . . . 66 LYS HE3 . 50114 1 510 . 1 . 1 66 66 LYS C C 13 178.812 0.3 . 1 . . . . . 66 LYS C . 50114 1 511 . 1 . 1 66 66 LYS CA C 13 59.866 0.3 . 1 . . . . . 66 LYS CA . 50114 1 512 . 1 . 1 66 66 LYS CB C 13 32.590 0.3 . 1 . . . . . 66 LYS CB . 50114 1 513 . 1 . 1 66 66 LYS CG C 13 25.474 0.3 . 1 . . . . . 66 LYS CG . 50114 1 514 . 1 . 1 66 66 LYS CD C 13 29.152 0.3 . 1 . . . . . 66 LYS CD . 50114 1 515 . 1 . 1 66 66 LYS CE C 13 42.128 0.3 . 1 . . . . . 66 LYS CE . 50114 1 516 . 1 . 1 66 66 LYS N N 15 116.685 0.3 . 1 . . . . . 66 LYS N . 50114 1 517 . 1 . 1 67 67 GLN H H 1 7.875 0.020 . 1 . . . . . 67 GLN H . 50114 1 518 . 1 . 1 67 67 GLN HA H 1 4.179 0.020 . 1 . . . . . 67 GLN HA . 50114 1 519 . 1 . 1 67 67 GLN HB2 H 1 1.951 0.020 . 1 . . . . . 67 GLN HB2 . 50114 1 520 . 1 . 1 67 67 GLN HB3 H 1 1.951 0.020 . 1 . . . . . 67 GLN HB3 . 50114 1 521 . 1 . 1 67 67 GLN HG2 H 1 2.469 0.020 . 2 . . . . . 67 GLN HG2 . 50114 1 522 . 1 . 1 67 67 GLN HG3 H 1 2.564 0.020 . 2 . . . . . 67 GLN HG3 . 50114 1 523 . 1 . 1 67 67 GLN HE21 H 1 7.485 0.020 . 1 . . . . . 67 GLN HE21 . 50114 1 524 . 1 . 1 67 67 GLN HE22 H 1 6.793 0.020 . 1 . . . . . 67 GLN HE22 . 50114 1 525 . 1 . 1 67 67 GLN C C 13 179.176 0.3 . 1 . . . . . 67 GLN C . 50114 1 526 . 1 . 1 67 67 GLN CA C 13 58.845 0.3 . 1 . . . . . 67 GLN CA . 50114 1 527 . 1 . 1 67 67 GLN CB C 13 28.889 0.3 . 1 . . . . . 67 GLN CB . 50114 1 528 . 1 . 1 67 67 GLN CG C 13 34.271 0.3 . 1 . . . . . 67 GLN CG . 50114 1 529 . 1 . 1 67 67 GLN N N 15 118.055 0.3 . 1 . . . . . 67 GLN N . 50114 1 530 . 1 . 1 67 67 GLN NE2 N 15 111.589 0.3 . 1 . . . . . 67 GLN NE2 . 50114 1 531 . 1 . 1 68 68 GLU H H 1 8.286 0.020 . 1 . . . . . 68 GLU H . 50114 1 532 . 1 . 1 68 68 GLU HA H 1 4.353 0.020 . 1 . . . . . 68 GLU HA . 50114 1 533 . 1 . 1 68 68 GLU HB2 H 1 2.113 0.020 . 1 . . . . . 68 GLU HB2 . 50114 1 534 . 1 . 1 68 68 GLU HB3 H 1 2.113 0.020 . 1 . . . . . 68 GLU HB3 . 50114 1 535 . 1 . 1 68 68 GLU HG2 H 1 2.256 0.020 . 1 . . . . . 68 GLU HG2 . 50114 1 536 . 1 . 1 68 68 GLU HG3 H 1 2.256 0.020 . 1 . . . . . 68 GLU HG3 . 50114 1 537 . 1 . 1 68 68 GLU C C 13 178.135 0.3 . 1 . . . . . 68 GLU C . 50114 1 538 . 1 . 1 68 68 GLU CA C 13 57.103 0.3 . 1 . . . . . 68 GLU CA . 50114 1 539 . 1 . 1 68 68 GLU CB C 13 29.853 0.3 . 1 . . . . . 68 GLU CB . 50114 1 540 . 1 . 1 68 68 GLU CG C 13 35.908 0.3 . 1 . . . . . 68 GLU CG . 50114 1 541 . 1 . 1 68 68 GLU N N 15 120.005 0.3 . 1 . . . . . 68 GLU N . 50114 1 542 . 1 . 1 69 69 ALA H H 1 8.510 0.020 . 1 . . . . . 69 ALA H . 50114 1 543 . 1 . 1 69 69 ALA HA H 1 4.280 0.020 . 1 . . . . . 69 ALA HA . 50114 1 544 . 1 . 1 69 69 ALA HB1 H 1 1.543 0.020 . 1 . . . . . 69 ALA HB . 50114 1 545 . 1 . 1 69 69 ALA HB2 H 1 1.543 0.020 . 1 . . . . . 69 ALA HB . 50114 1 546 . 1 . 1 69 69 ALA HB3 H 1 1.543 0.020 . 1 . . . . . 69 ALA HB . 50114 1 547 . 1 . 1 69 69 ALA C C 13 179.218 0.3 . 1 . . . . . 69 ALA C . 50114 1 548 . 1 . 1 69 69 ALA CA C 13 54.803 0.3 . 1 . . . . . 69 ALA CA . 50114 1 549 . 1 . 1 69 69 ALA CB C 13 18.289 0.3 . 1 . . . . . 69 ALA CB . 50114 1 550 . 1 . 1 69 69 ALA N N 15 122.011 0.3 . 1 . . . . . 69 ALA N . 50114 1 551 . 1 . 1 70 70 GLN H H 1 7.981 0.020 . 1 . . . . . 70 GLN H . 50114 1 552 . 1 . 1 70 70 GLN HA H 1 4.015 0.020 . 1 . . . . . 70 GLN HA . 50114 1 553 . 1 . 1 70 70 GLN HB2 H 1 2.189 0.020 . 1 . . . . . 70 GLN HB2 . 50114 1 554 . 1 . 1 70 70 GLN HB3 H 1 2.189 0.020 . 1 . . . . . 70 GLN HB3 . 50114 1 555 . 1 . 1 70 70 GLN HG2 H 1 2.569 0.020 . 1 . . . . . 70 GLN HG2 . 50114 1 556 . 1 . 1 70 70 GLN HG3 H 1 2.569 0.020 . 1 . . . . . 70 GLN HG3 . 50114 1 557 . 1 . 1 70 70 GLN C C 13 178.299 0.3 . 1 . . . . . 70 GLN C . 50114 1 558 . 1 . 1 70 70 GLN CA C 13 58.799 0.3 . 1 . . . . . 70 GLN CA . 50114 1 559 . 1 . 1 70 70 GLN CB C 13 28.129 0.3 . 1 . . . . . 70 GLN CB . 50114 1 560 . 1 . 1 70 70 GLN CG C 13 33.813 0.3 . 1 . . . . . 70 GLN CG . 50114 1 561 . 1 . 1 70 70 GLN N N 15 116.129 0.3 . 1 . . . . . 70 GLN N . 50114 1 562 . 1 . 1 71 71 ARG H H 1 7.842 0.020 . 1 . . . . . 71 ARG H . 50114 1 563 . 1 . 1 71 71 ARG HA H 1 4.143 0.020 . 1 . . . . . 71 ARG HA . 50114 1 564 . 1 . 1 71 71 ARG HB2 H 1 2.033 0.020 . 1 . . . . . 71 ARG HB2 . 50114 1 565 . 1 . 1 71 71 ARG HB3 H 1 2.033 0.020 . 1 . . . . . 71 ARG HB3 . 50114 1 566 . 1 . 1 71 71 ARG HD2 H 1 3.203 0.020 . 1 . . . . . 71 ARG HD2 . 50114 1 567 . 1 . 1 71 71 ARG HD3 H 1 3.203 0.020 . 1 . . . . . 71 ARG HD3 . 50114 1 568 . 1 . 1 71 71 ARG C C 13 179.044 0.3 . 1 . . . . . 71 ARG C . 50114 1 569 . 1 . 1 71 71 ARG CA C 13 58.822 0.3 . 1 . . . . . 71 ARG CA . 50114 1 570 . 1 . 1 71 71 ARG CB C 13 30.207 0.3 . 1 . . . . . 71 ARG CB . 50114 1 571 . 1 . 1 71 71 ARG CG C 13 27.331 0.3 . 1 . . . . . 71 ARG CG . 50114 1 572 . 1 . 1 71 71 ARG CD C 13 43.650 0.3 . 1 . . . . . 71 ARG CD . 50114 1 573 . 1 . 1 71 71 ARG N N 15 120.051 0.3 . 1 . . . . . 71 ARG N . 50114 1 574 . 1 . 1 72 72 LEU H H 1 8.163 0.020 . 1 . . . . . 72 LEU H . 50114 1 575 . 1 . 1 72 72 LEU HA H 1 4.096 0.020 . 1 . . . . . 72 LEU HA . 50114 1 576 . 1 . 1 72 72 LEU HB2 H 1 1.585 0.020 . 1 . . . . . 72 LEU HB2 . 50114 1 577 . 1 . 1 72 72 LEU HB3 H 1 1.585 0.020 . 1 . . . . . 72 LEU HB3 . 50114 1 578 . 1 . 1 72 72 LEU HG H 1 1.757 0.020 . 1 . . . . . 72 LEU HG . 50114 1 579 . 1 . 1 72 72 LEU HD11 H 1 0.896 0.020 . 1 . . . . . 72 LEU HD1 . 50114 1 580 . 1 . 1 72 72 LEU HD12 H 1 0.896 0.020 . 1 . . . . . 72 LEU HD1 . 50114 1 581 . 1 . 1 72 72 LEU HD13 H 1 0.896 0.020 . 1 . . . . . 72 LEU HD1 . 50114 1 582 . 1 . 1 72 72 LEU HD21 H 1 0.896 0.020 . 1 . . . . . 72 LEU HD2 . 50114 1 583 . 1 . 1 72 72 LEU HD22 H 1 0.896 0.020 . 1 . . . . . 72 LEU HD2 . 50114 1 584 . 1 . 1 72 72 LEU HD23 H 1 0.896 0.020 . 1 . . . . . 72 LEU HD2 . 50114 1 585 . 1 . 1 72 72 LEU C C 13 179.040 0.3 . 1 . . . . . 72 LEU C . 50114 1 586 . 1 . 1 72 72 LEU CA C 13 57.782 0.3 . 1 . . . . . 72 LEU CA . 50114 1 587 . 1 . 1 72 72 LEU CB C 13 41.674 0.3 . 1 . . . . . 72 LEU CB . 50114 1 588 . 1 . 1 72 72 LEU CG C 13 26.462 0.3 . 1 . . . . . 72 LEU CG . 50114 1 589 . 1 . 1 72 72 LEU CD1 C 13 24.442 0.3 . 1 . . . . . 72 LEU CD1 . 50114 1 590 . 1 . 1 72 72 LEU N N 15 119.299 0.3 . 1 . . . . . 72 LEU N . 50114 1 591 . 1 . 1 73 73 LYS H H 1 8.096 0.020 . 1 . . . . . 73 LYS H . 50114 1 592 . 1 . 1 73 73 LYS HA H 1 4.099 0.020 . 1 . . . . . 73 LYS HA . 50114 1 593 . 1 . 1 73 73 LYS HB2 H 1 1.963 0.020 . 1 . . . . . 73 LYS HB2 . 50114 1 594 . 1 . 1 73 73 LYS HB3 H 1 1.963 0.020 . 1 . . . . . 73 LYS HB3 . 50114 1 595 . 1 . 1 73 73 LYS HG2 H 1 1.607 0.020 . 1 . . . . . 73 LYS HG2 . 50114 1 596 . 1 . 1 73 73 LYS HG3 H 1 1.607 0.020 . 1 . . . . . 73 LYS HG3 . 50114 1 597 . 1 . 1 73 73 LYS HD2 H 1 1.739 0.020 . 1 . . . . . 73 LYS HD2 . 50114 1 598 . 1 . 1 73 73 LYS HD3 H 1 1.739 0.020 . 1 . . . . . 73 LYS HD3 . 50114 1 599 . 1 . 1 73 73 LYS C C 13 175.983 0.3 . 1 . . . . . 73 LYS C . 50114 1 600 . 1 . 1 73 73 LYS CA C 13 59.629 0.3 . 1 . . . . . 73 LYS CA . 50114 1 601 . 1 . 1 73 73 LYS CB C 13 32.312 0.3 . 1 . . . . . 73 LYS CB . 50114 1 602 . 1 . 1 73 73 LYS CG C 13 25.313 0.3 . 1 . . . . . 73 LYS CG . 50114 1 603 . 1 . 1 73 73 LYS CD C 13 29.531 0.3 . 1 . . . . . 73 LYS CD . 50114 1 604 . 1 . 1 73 73 LYS CE C 13 42.388 0.3 . 1 . . . . . 73 LYS CE . 50114 1 605 . 1 . 1 73 73 LYS N N 15 118.827 0.3 . 1 . . . . . 73 LYS N . 50114 1 606 . 1 . 1 74 74 GLU H H 1 8.129 0.020 . 1 . . . . . 74 GLU H . 50114 1 607 . 1 . 1 74 74 GLU C C 13 177.674 0.3 . 1 . . . . . 74 GLU C . 50114 1 608 . 1 . 1 74 74 GLU CA C 13 58.639 0.3 . 1 . . . . . 74 GLU CA . 50114 1 609 . 1 . 1 74 74 GLU CB C 13 29.335 0.3 . 1 . . . . . 74 GLU CB . 50114 1 610 . 1 . 1 74 74 GLU N N 15 118.307 0.3 . 1 . . . . . 74 GLU N . 50114 1 611 . 1 . 1 76 76 ARG H H 1 7.844 0.020 . 1 . . . . . 76 ARG H . 50114 1 612 . 1 . 1 76 76 ARG HA H 1 4.250 0.020 . 1 . . . . . 76 ARG HA . 50114 1 613 . 1 . 1 76 76 ARG HB2 H 1 1.946 0.020 . 1 . . . . . 76 ARG HB2 . 50114 1 614 . 1 . 1 76 76 ARG HB3 H 1 1.946 0.020 . 1 . . . . . 76 ARG HB3 . 50114 1 615 . 1 . 1 76 76 ARG HD2 H 1 3.227 0.020 . 1 . . . . . 76 ARG HD2 . 50114 1 616 . 1 . 1 76 76 ARG HD3 H 1 3.227 0.020 . 1 . . . . . 76 ARG HD3 . 50114 1 617 . 1 . 1 76 76 ARG C C 13 177.411 0.3 . 1 . . . . . 76 ARG C . 50114 1 618 . 1 . 1 76 76 ARG CA C 13 56.641 0.3 . 1 . . . . . 76 ARG CA . 50114 1 619 . 1 . 1 76 76 ARG CB C 13 30.464 0.3 . 1 . . . . . 76 ARG CB . 50114 1 620 . 1 . 1 76 76 ARG CG C 13 27.331 0.3 . 1 . . . . . 76 ARG CG . 50114 1 621 . 1 . 1 76 76 ARG CD C 13 43.827 0.3 . 1 . . . . . 76 ARG CD . 50114 1 622 . 1 . 1 76 76 ARG N N 15 117.974 0.3 . 1 . . . . . 76 ARG N . 50114 1 623 . 1 . 1 77 77 GLU H H 1 7.978 0.020 . 1 . . . . . 77 GLU H . 50114 1 624 . 1 . 1 77 77 GLU HA H 1 4.234 0.020 . 1 . . . . . 77 GLU HA . 50114 1 625 . 1 . 1 77 77 GLU HB2 H 1 2.105 0.020 . 1 . . . . . 77 GLU HB2 . 50114 1 626 . 1 . 1 77 77 GLU HB3 H 1 2.105 0.020 . 1 . . . . . 77 GLU HB3 . 50114 1 627 . 1 . 1 77 77 GLU HG2 H 1 2.298 0.020 . 1 . . . . . 77 GLU HG2 . 50114 1 628 . 1 . 1 77 77 GLU HG3 H 1 2.298 0.020 . 1 . . . . . 77 GLU HG3 . 50114 1 629 . 1 . 1 77 77 GLU C C 13 177.614 0.3 . 1 . . . . . 77 GLU C . 50114 1 630 . 1 . 1 77 77 GLU CA C 13 57.708 0.3 . 1 . . . . . 77 GLU CA . 50114 1 631 . 1 . 1 77 77 GLU CB C 13 30.277 0.3 . 1 . . . . . 77 GLU CB . 50114 1 632 . 1 . 1 77 77 GLU CG C 13 36.346 0.3 . 1 . . . . . 77 GLU CG . 50114 1 633 . 1 . 1 77 77 GLU N N 15 119.855 0.3 . 1 . . . . . 77 GLU N . 50114 1 634 . 1 . 1 78 78 GLY H H 1 8.262 0.020 . 1 . . . . . 78 GLY H . 50114 1 635 . 1 . 1 78 78 GLY HA2 H 1 4.089 0.020 . 1 . . . . . 78 GLY HA2 . 50114 1 636 . 1 . 1 78 78 GLY HA3 H 1 4.089 0.020 . 1 . . . . . 78 GLY HA3 . 50114 1 637 . 1 . 1 78 78 GLY C C 13 174.782 0.3 . 1 . . . . . 78 GLY C . 50114 1 638 . 1 . 1 78 78 GLY CA C 13 45.712 0.3 . 1 . . . . . 78 GLY CA . 50114 1 639 . 1 . 1 78 78 GLY N N 15 108.804 0.3 . 1 . . . . . 78 GLY N . 50114 1 640 . 1 . 1 79 79 THR H H 1 7.896 0.020 . 1 . . . . . 79 THR H . 50114 1 641 . 1 . 1 79 79 THR HA H 1 4.454 0.020 . 1 . . . . . 79 THR HA . 50114 1 642 . 1 . 1 79 79 THR HB H 1 4.341 0.020 . 1 . . . . . 79 THR HB . 50114 1 643 . 1 . 1 79 79 THR HG21 H 1 1.259 0.020 . 1 . . . . . 79 THR HG2 . 50114 1 644 . 1 . 1 79 79 THR HG22 H 1 1.259 0.020 . 1 . . . . . 79 THR HG2 . 50114 1 645 . 1 . 1 79 79 THR HG23 H 1 1.259 0.020 . 1 . . . . . 79 THR HG2 . 50114 1 646 . 1 . 1 79 79 THR C C 13 174.932 0.3 . 1 . . . . . 79 THR C . 50114 1 647 . 1 . 1 79 79 THR CA C 13 61.898 0.3 . 1 . . . . . 79 THR CA . 50114 1 648 . 1 . 1 79 79 THR CB C 13 70.216 0.3 . 1 . . . . . 79 THR CB . 50114 1 649 . 1 . 1 79 79 THR CG2 C 13 21.442 0.3 . 1 . . . . . 79 THR CG2 . 50114 1 650 . 1 . 1 79 79 THR N N 15 112.686 0.3 . 1 . . . . . 79 THR N . 50114 1 651 . 1 . 1 80 80 GLU H H 1 8.527 0.020 . 1 . . . . . 80 GLU H . 50114 1 652 . 1 . 1 80 80 GLU HA H 1 4.393 0.020 . 1 . . . . . 80 GLU HA . 50114 1 653 . 1 . 1 80 80 GLU HB2 H 1 2.037 0.020 . 1 . . . . . 80 GLU HB2 . 50114 1 654 . 1 . 1 80 80 GLU HB3 H 1 2.037 0.020 . 1 . . . . . 80 GLU HB3 . 50114 1 655 . 1 . 1 80 80 GLU C C 13 176.356 0.3 . 1 . . . . . 80 GLU C . 50114 1 656 . 1 . 1 80 80 GLU CA C 13 57.158 0.3 . 1 . . . . . 80 GLU CA . 50114 1 657 . 1 . 1 80 80 GLU CB C 13 29.795 0.3 . 1 . . . . . 80 GLU CB . 50114 1 658 . 1 . 1 80 80 GLU N N 15 122.242 0.3 . 1 . . . . . 80 GLU N . 50114 1 659 . 1 . 1 81 81 ASN H H 1 8.289 0.020 . 1 . . . . . 81 ASN H . 50114 1 660 . 1 . 1 81 81 ASN HA H 1 4.729 0.020 . 1 . . . . . 81 ASN HA . 50114 1 661 . 1 . 1 81 81 ASN HB2 H 1 2.756 0.020 . 1 . . . . . 81 ASN HB2 . 50114 1 662 . 1 . 1 81 81 ASN HB3 H 1 2.756 0.020 . 1 . . . . . 81 ASN HB3 . 50114 1 663 . 1 . 1 81 81 ASN HD21 H 1 7.556 0.020 . 1 . . . . . 81 ASN HD21 . 50114 1 664 . 1 . 1 81 81 ASN HD22 H 1 6.899 0.020 . 1 . . . . . 81 ASN HD22 . 50114 1 665 . 1 . 1 81 81 ASN C C 13 175.173 0.3 . 1 . . . . . 81 ASN C . 50114 1 666 . 1 . 1 81 81 ASN CA C 13 53.650 0.3 . 1 . . . . . 81 ASN CA . 50114 1 667 . 1 . 1 81 81 ASN CB C 13 39.423 0.3 . 1 . . . . . 81 ASN CB . 50114 1 668 . 1 . 1 81 81 ASN N N 15 118.726 0.3 . 1 . . . . . 81 ASN N . 50114 1 669 . 1 . 1 81 81 ASN ND2 N 15 112.932 0.3 . 1 . . . . . 81 ASN ND2 . 50114 1 670 . 1 . 1 82 82 GLU H H 1 8.341 0.020 . 1 . . . . . 82 GLU H . 50114 1 671 . 1 . 1 82 82 GLU HA H 1 4.317 0.020 . 1 . . . . . 82 GLU HA . 50114 1 672 . 1 . 1 82 82 GLU HB2 H 1 1.995 0.020 . 1 . . . . . 82 GLU HB2 . 50114 1 673 . 1 . 1 82 82 GLU HB3 H 1 1.995 0.020 . 1 . . . . . 82 GLU HB3 . 50114 1 674 . 1 . 1 82 82 GLU HG2 H 1 2.256 0.020 . 1 . . . . . 82 GLU HG2 . 50114 1 675 . 1 . 1 82 82 GLU HG3 H 1 2.256 0.020 . 1 . . . . . 82 GLU HG3 . 50114 1 676 . 1 . 1 82 82 GLU C C 13 176.491 0.3 . 1 . . . . . 82 GLU C . 50114 1 677 . 1 . 1 82 82 GLU CA C 13 56.906 0.3 . 1 . . . . . 82 GLU CA . 50114 1 678 . 1 . 1 82 82 GLU CB C 13 29.917 0.3 . 1 . . . . . 82 GLU CB . 50114 1 679 . 1 . 1 82 82 GLU CG C 13 36.089 0.3 . 1 . . . . . 82 GLU CG . 50114 1 680 . 1 . 1 82 82 GLU N N 15 121.136 0.3 . 1 . . . . . 82 GLU N . 50114 1 681 . 1 . 1 83 83 ARG H H 1 8.269 0.020 . 1 . . . . . 83 ARG H . 50114 1 682 . 1 . 1 83 83 ARG HA H 1 4.317 0.020 . 1 . . . . . 83 ARG HA . 50114 1 683 . 1 . 1 83 83 ARG HB2 H 1 1.992 0.020 . 1 . . . . . 83 ARG HB2 . 50114 1 684 . 1 . 1 83 83 ARG HB3 H 1 1.992 0.020 . 1 . . . . . 83 ARG HB3 . 50114 1 685 . 1 . 1 83 83 ARG HG2 H 1 1.706 0.020 . 1 . . . . . 83 ARG HG2 . 50114 1 686 . 1 . 1 83 83 ARG HG3 H 1 1.706 0.020 . 1 . . . . . 83 ARG HG3 . 50114 1 687 . 1 . 1 83 83 ARG HD2 H 1 3.085 0.020 . 1 . . . . . 83 ARG HD2 . 50114 1 688 . 1 . 1 83 83 ARG HD3 H 1 3.085 0.020 . 1 . . . . . 83 ARG HD3 . 50114 1 689 . 1 . 1 83 83 ARG C C 13 176.486 0.3 . 1 . . . . . 83 ARG C . 50114 1 690 . 1 . 1 83 83 ARG CA C 13 56.344 0.3 . 1 . . . . . 83 ARG CA . 50114 1 691 . 1 . 1 83 83 ARG CB C 13 30.561 0.3 . 1 . . . . . 83 ARG CB . 50114 1 692 . 1 . 1 83 83 ARG CG C 13 27.352 0.3 . 1 . . . . . 83 ARG CG . 50114 1 693 . 1 . 1 83 83 ARG CD C 13 43.438 0.3 . 1 . . . . . 83 ARG CD . 50114 1 694 . 1 . 1 83 83 ARG N N 15 121.643 0.3 . 1 . . . . . 83 ARG N . 50114 1 695 . 1 . 1 84 84 SER H H 1 8.271 0.020 . 1 . . . . . 84 SER H . 50114 1 696 . 1 . 1 84 84 SER HA H 1 4.439 0.020 . 1 . . . . . 84 SER HA . 50114 1 697 . 1 . 1 84 84 SER HB2 H 1 3.898 0.020 . 1 . . . . . 84 SER HB2 . 50114 1 698 . 1 . 1 84 84 SER HB3 H 1 3.898 0.020 . 1 . . . . . 84 SER HB3 . 50114 1 699 . 1 . 1 84 84 SER C C 13 174.784 0.3 . 1 . . . . . 84 SER C . 50114 1 700 . 1 . 1 84 84 SER CA C 13 59.113 0.3 . 1 . . . . . 84 SER CA . 50114 1 701 . 1 . 1 84 84 SER CB C 13 63.899 0.3 . 1 . . . . . 84 SER CB . 50114 1 702 . 1 . 1 84 84 SER N N 15 116.918 0.3 . 1 . . . . . 84 SER N . 50114 1 703 . 1 . 1 85 85 ARG H H 1 8.212 0.020 . 1 . . . . . 85 ARG H . 50114 1 704 . 1 . 1 85 85 ARG HA H 1 4.406 0.020 . 1 . . . . . 85 ARG HA . 50114 1 705 . 1 . 1 85 85 ARG HB2 H 1 1.971 0.020 . 1 . . . . . 85 ARG HB2 . 50114 1 706 . 1 . 1 85 85 ARG HB3 H 1 1.971 0.020 . 1 . . . . . 85 ARG HB3 . 50114 1 707 . 1 . 1 85 85 ARG HD2 H 1 3.231 0.020 . 1 . . . . . 85 ARG HD2 . 50114 1 708 . 1 . 1 85 85 ARG HD3 H 1 3.231 0.020 . 1 . . . . . 85 ARG HD3 . 50114 1 709 . 1 . 1 85 85 ARG HH21 H 1 7.243 0.020 . 1 . . . . . 85 ARG HH21 . 50114 1 710 . 1 . 1 85 85 ARG HH22 H 1 6.714 0.020 . 1 . . . . . 85 ARG HH22 . 50114 1 711 . 1 . 1 85 85 ARG C C 13 176.369 0.3 . 1 . . . . . 85 ARG C . 50114 1 712 . 1 . 1 85 85 ARG CA C 13 56.458 0.3 . 1 . . . . . 85 ARG CA . 50114 1 713 . 1 . 1 85 85 ARG CB C 13 30.118 0.3 . 1 . . . . . 85 ARG CB . 50114 1 714 . 1 . 1 85 85 ARG CG C 13 27.272 0.3 . 1 . . . . . 85 ARG CG . 50114 1 715 . 1 . 1 85 85 ARG CD C 13 43.555 0.3 . 1 . . . . . 85 ARG CD . 50114 1 716 . 1 . 1 85 85 ARG N N 15 122.120 0.3 . 1 . . . . . 85 ARG N . 50114 1 717 . 1 . 1 86 86 GLN H H 1 8.189 0.020 . 1 . . . . . 86 GLN H . 50114 1 718 . 1 . 1 86 86 GLN HA H 1 4.236 0.020 . 1 . . . . . 86 GLN HA . 50114 1 719 . 1 . 1 86 86 GLN HB2 H 1 1.977 0.020 . 1 . . . . . 86 GLN HB2 . 50114 1 720 . 1 . 1 86 86 GLN HB3 H 1 1.977 0.020 . 1 . . . . . 86 GLN HB3 . 50114 1 721 . 1 . 1 86 86 GLN C C 13 175.919 0.3 . 1 . . . . . 86 GLN C . 50114 1 722 . 1 . 1 86 86 GLN CA C 13 56.802 0.3 . 1 . . . . . 86 GLN CA . 50114 1 723 . 1 . 1 86 86 GLN CB C 13 29.127 0.3 . 1 . . . . . 86 GLN CB . 50114 1 724 . 1 . 1 86 86 GLN CG C 13 33.908 0.3 . 1 . . . . . 86 GLN CG . 50114 1 725 . 1 . 1 86 86 GLN N N 15 120.425 0.3 . 1 . . . . . 86 GLN N . 50114 1 726 . 1 . 1 87 87 LYS H H 1 8.024 0.020 . 1 . . . . . 87 LYS H . 50114 1 727 . 1 . 1 87 87 LYS HA H 1 4.231 0.020 . 1 . . . . . 87 LYS HA . 50114 1 728 . 1 . 1 87 87 LYS HB2 H 1 1.851 0.020 . 1 . . . . . 87 LYS HB2 . 50114 1 729 . 1 . 1 87 87 LYS HB3 H 1 1.851 0.020 . 1 . . . . . 87 LYS HB3 . 50114 1 730 . 1 . 1 87 87 LYS HG2 H 1 1.463 0.020 . 1 . . . . . 87 LYS HG2 . 50114 1 731 . 1 . 1 87 87 LYS HG3 H 1 1.463 0.020 . 1 . . . . . 87 LYS HG3 . 50114 1 732 . 1 . 1 87 87 LYS HD2 H 1 1.730 0.020 . 1 . . . . . 87 LYS HD2 . 50114 1 733 . 1 . 1 87 87 LYS HD3 H 1 1.730 0.020 . 1 . . . . . 87 LYS HD3 . 50114 1 734 . 1 . 1 87 87 LYS HE2 H 1 3.000 0.020 . 1 . . . . . 87 LYS HE2 . 50114 1 735 . 1 . 1 87 87 LYS HE3 H 1 3.000 0.020 . 1 . . . . . 87 LYS HE3 . 50114 1 736 . 1 . 1 87 87 LYS C C 13 176.730 0.3 . 1 . . . . . 87 LYS C . 50114 1 737 . 1 . 1 87 87 LYS CA C 13 56.968 0.3 . 1 . . . . . 87 LYS CA . 50114 1 738 . 1 . 1 87 87 LYS CB C 13 32.830 0.3 . 1 . . . . . 87 LYS CB . 50114 1 739 . 1 . 1 87 87 LYS CG C 13 25.082 0.3 . 1 . . . . . 87 LYS CG . 50114 1 740 . 1 . 1 87 87 LYS CD C 13 28.817 0.3 . 1 . . . . . 87 LYS CD . 50114 1 741 . 1 . 1 87 87 LYS N N 15 120.857 0.3 . 1 . . . . . 87 LYS N . 50114 1 742 . 1 . 1 88 88 TYR H H 1 7.912 0.020 . 1 . . . . . 88 TYR H . 50114 1 743 . 1 . 1 88 88 TYR HA H 1 4.527 0.020 . 1 . . . . . 88 TYR HA . 50114 1 744 . 1 . 1 88 88 TYR HB2 H 1 2.881 0.020 . 1 . . . . . 88 TYR HB2 . 50114 1 745 . 1 . 1 88 88 TYR HB3 H 1 2.881 0.020 . 1 . . . . . 88 TYR HB3 . 50114 1 746 . 1 . 1 88 88 TYR HD1 H 1 7.043 0.020 . 1 . . . . . 88 TYR HD1 . 50114 1 747 . 1 . 1 88 88 TYR HD2 H 1 7.043 0.020 . 1 . . . . . 88 TYR HD2 . 50114 1 748 . 1 . 1 88 88 TYR C C 13 175.808 0.3 . 1 . . . . . 88 TYR C . 50114 1 749 . 1 . 1 88 88 TYR CA C 13 58.505 0.3 . 1 . . . . . 88 TYR CA . 50114 1 750 . 1 . 1 88 88 TYR CB C 13 38.800 0.3 . 1 . . . . . 88 TYR CB . 50114 1 751 . 1 . 1 88 88 TYR N N 15 119.748 0.3 . 1 . . . . . 88 TYR N . 50114 1 752 . 1 . 1 89 89 ALA H H 1 8.396 0.020 . 1 . . . . . 89 ALA H . 50114 1 753 . 1 . 1 89 89 ALA HA H 1 4.391 0.020 . 1 . . . . . 89 ALA HA . 50114 1 754 . 1 . 1 89 89 ALA HB1 H 1 1.511 0.020 . 1 . . . . . 89 ALA HB . 50114 1 755 . 1 . 1 89 89 ALA HB2 H 1 1.511 0.020 . 1 . . . . . 89 ALA HB . 50114 1 756 . 1 . 1 89 89 ALA HB3 H 1 1.511 0.020 . 1 . . . . . 89 ALA HB . 50114 1 757 . 1 . 1 89 89 ALA C C 13 178.200 0.3 . 1 . . . . . 89 ALA C . 50114 1 758 . 1 . 1 89 89 ALA CA C 13 52.654 0.3 . 1 . . . . . 89 ALA CA . 50114 1 759 . 1 . 1 89 89 ALA CB C 13 19.209 0.3 . 1 . . . . . 89 ALA CB . 50114 1 760 . 1 . 1 89 89 ALA N N 15 123.401 0.3 . 1 . . . . . 89 ALA N . 50114 1 761 . 1 . 1 90 90 GLU H H 1 8.495 0.020 . 1 . . . . . 90 GLU H . 50114 1 762 . 1 . 1 90 90 GLU HA H 1 4.068 0.020 . 1 . . . . . 90 GLU HA . 50114 1 763 . 1 . 1 90 90 GLU HB2 H 1 2.112 0.020 . 1 . . . . . 90 GLU HB2 . 50114 1 764 . 1 . 1 90 90 GLU HB3 H 1 2.112 0.020 . 1 . . . . . 90 GLU HB3 . 50114 1 765 . 1 . 1 90 90 GLU HG2 H 1 2.363 0.020 . 1 . . . . . 90 GLU HG2 . 50114 1 766 . 1 . 1 90 90 GLU HG3 H 1 2.363 0.020 . 1 . . . . . 90 GLU HG3 . 50114 1 767 . 1 . 1 90 90 GLU C C 13 177.116 0.3 . 1 . . . . . 90 GLU C . 50114 1 768 . 1 . 1 90 90 GLU CA C 13 59.456 0.3 . 1 . . . . . 90 GLU CA . 50114 1 769 . 1 . 1 90 90 GLU CB C 13 29.607 0.3 . 1 . . . . . 90 GLU CB . 50114 1 770 . 1 . 1 90 90 GLU CG C 13 36.292 0.3 . 1 . . . . . 90 GLU CG . 50114 1 771 . 1 . 1 90 90 GLU N N 15 119.912 0.3 . 1 . . . . . 90 GLU N . 50114 1 772 . 1 . 1 91 91 GLU H H 1 7.725 0.020 . 1 . . . . . 91 GLU H . 50114 1 773 . 1 . 1 91 91 GLU C C 13 177.125 0.3 . 1 . . . . . 91 GLU C . 50114 1 774 . 1 . 1 91 91 GLU CA C 13 57.911 0.3 . 1 . . . . . 91 GLU CA . 50114 1 775 . 1 . 1 91 91 GLU CB C 13 32.887 0.3 . 1 . . . . . 91 GLU CB . 50114 1 776 . 1 . 1 91 91 GLU N N 15 118.786 0.3 . 1 . . . . . 91 GLU N . 50114 1 777 . 1 . 1 93 93 LEU H H 1 8.414 0.020 . 1 . . . . . 93 LEU H . 50114 1 778 . 1 . 1 93 93 LEU HA H 1 4.095 0.020 . 1 . . . . . 93 LEU HA . 50114 1 779 . 1 . 1 93 93 LEU HB2 H 1 2.041 0.020 . 1 . . . . . 93 LEU HB2 . 50114 1 780 . 1 . 1 93 93 LEU HB3 H 1 2.041 0.020 . 1 . . . . . 93 LEU HB3 . 50114 1 781 . 1 . 1 93 93 LEU HG H 1 1.724 0.020 . 1 . . . . . 93 LEU HG . 50114 1 782 . 1 . 1 93 93 LEU HD11 H 1 0.902 0.020 . 1 . . . . . 93 LEU HD1 . 50114 1 783 . 1 . 1 93 93 LEU HD12 H 1 0.902 0.020 . 1 . . . . . 93 LEU HD1 . 50114 1 784 . 1 . 1 93 93 LEU HD13 H 1 0.902 0.020 . 1 . . . . . 93 LEU HD1 . 50114 1 785 . 1 . 1 93 93 LEU HD21 H 1 0.902 0.020 . 1 . . . . . 93 LEU HD2 . 50114 1 786 . 1 . 1 93 93 LEU HD22 H 1 0.902 0.020 . 1 . . . . . 93 LEU HD2 . 50114 1 787 . 1 . 1 93 93 LEU HD23 H 1 0.902 0.020 . 1 . . . . . 93 LEU HD2 . 50114 1 788 . 1 . 1 93 93 LEU C C 13 178.416 0.3 . 1 . . . . . 93 LEU C . 50114 1 789 . 1 . 1 93 93 LEU CA C 13 57.886 0.3 . 1 . . . . . 93 LEU CA . 50114 1 790 . 1 . 1 93 93 LEU CB C 13 41.491 0.3 . 1 . . . . . 93 LEU CB . 50114 1 791 . 1 . 1 93 93 LEU N N 15 120.310 0.3 . 1 . . . . . 93 LEU N . 50114 1 792 . 1 . 1 96 96 VAL H H 1 7.858 0.020 . 1 . . . . . 96 VAL H . 50114 1 793 . 1 . 1 96 96 VAL HA H 1 3.884 0.020 . 1 . . . . . 96 VAL HA . 50114 1 794 . 1 . 1 96 96 VAL HB H 1 2.323 0.020 . 1 . . . . . 96 VAL HB . 50114 1 795 . 1 . 1 96 96 VAL HG21 H 1 0.963 0.020 . 1 . . . . . 96 VAL HG2 . 50114 1 796 . 1 . 1 96 96 VAL HG22 H 1 0.963 0.020 . 1 . . . . . 96 VAL HG2 . 50114 1 797 . 1 . 1 96 96 VAL HG23 H 1 0.963 0.020 . 1 . . . . . 96 VAL HG2 . 50114 1 798 . 1 . 1 96 96 VAL C C 13 177.343 0.3 . 1 . . . . . 96 VAL C . 50114 1 799 . 1 . 1 96 96 VAL CA C 13 66.137 0.3 . 1 . . . . . 96 VAL CA . 50114 1 800 . 1 . 1 96 96 VAL CB C 13 31.508 0.3 . 1 . . . . . 96 VAL CB . 50114 1 801 . 1 . 1 96 96 VAL CG1 C 13 22.962 0.3 . 1 . . . . . 96 VAL CG1 . 50114 1 802 . 1 . 1 96 96 VAL CG2 C 13 21.368 0.3 . 1 . . . . . 96 VAL CG2 . 50114 1 803 . 1 . 1 96 96 VAL N N 15 120.562 0.3 . 1 . . . . . 96 VAL N . 50114 1 804 . 1 . 1 97 97 ARG H H 1 8.330 0.020 . 1 . . . . . 97 ARG H . 50114 1 805 . 1 . 1 97 97 ARG HA H 1 3.872 0.020 . 1 . . . . . 97 ARG HA . 50114 1 806 . 1 . 1 97 97 ARG HB2 H 1 1.955 0.020 . 1 . . . . . 97 ARG HB2 . 50114 1 807 . 1 . 1 97 97 ARG HB3 H 1 1.955 0.020 . 1 . . . . . 97 ARG HB3 . 50114 1 808 . 1 . 1 97 97 ARG HG2 H 1 1.730 0.020 . 1 . . . . . 97 ARG HG2 . 50114 1 809 . 1 . 1 97 97 ARG HG3 H 1 1.730 0.020 . 1 . . . . . 97 ARG HG3 . 50114 1 810 . 1 . 1 97 97 ARG HD2 H 1 3.263 0.020 . 1 . . . . . 97 ARG HD2 . 50114 1 811 . 1 . 1 97 97 ARG HD3 H 1 3.263 0.020 . 1 . . . . . 97 ARG HD3 . 50114 1 812 . 1 . 1 97 97 ARG C C 13 178.635 0.3 . 1 . . . . . 97 ARG C . 50114 1 813 . 1 . 1 97 97 ARG CA C 13 60.206 0.3 . 1 . . . . . 97 ARG CA . 50114 1 814 . 1 . 1 97 97 ARG CB C 13 30.504 0.3 . 1 . . . . . 97 ARG CB . 50114 1 815 . 1 . 1 97 97 ARG CG C 13 27.721 0.3 . 1 . . . . . 97 ARG CG . 50114 1 816 . 1 . 1 97 97 ARG CD C 13 43.556 0.3 . 1 . . . . . 97 ARG CD . 50114 1 817 . 1 . 1 97 97 ARG N N 15 118.975 0.3 . 1 . . . . . 97 ARG N . 50114 1 818 . 1 . 1 98 98 GLU H H 1 8.130 0.020 . 1 . . . . . 98 GLU H . 50114 1 819 . 1 . 1 98 98 GLU HA H 1 4.117 0.020 . 1 . . . . . 98 GLU HA . 50114 1 820 . 1 . 1 98 98 GLU HB2 H 1 2.133 0.020 . 1 . . . . . 98 GLU HB2 . 50114 1 821 . 1 . 1 98 98 GLU HB3 H 1 2.133 0.020 . 1 . . . . . 98 GLU HB3 . 50114 1 822 . 1 . 1 98 98 GLU HG2 H 1 2.384 0.020 . 1 . . . . . 98 GLU HG2 . 50114 1 823 . 1 . 1 98 98 GLU HG3 H 1 2.384 0.020 . 1 . . . . . 98 GLU HG3 . 50114 1 824 . 1 . 1 98 98 GLU C C 13 178.817 0.3 . 1 . . . . . 98 GLU C . 50114 1 825 . 1 . 1 98 98 GLU CA C 13 59.151 0.3 . 1 . . . . . 98 GLU CA . 50114 1 826 . 1 . 1 98 98 GLU CB C 13 29.302 0.3 . 1 . . . . . 98 GLU CB . 50114 1 827 . 1 . 1 98 98 GLU CG C 13 35.898 0.3 . 1 . . . . . 98 GLU CG . 50114 1 828 . 1 . 1 98 98 GLU N N 15 117.754 0.3 . 1 . . . . . 98 GLU N . 50114 1 829 . 1 . 1 99 99 ALA H H 1 7.935 0.020 . 1 . . . . . 99 ALA H . 50114 1 830 . 1 . 1 99 99 ALA HA H 1 4.047 0.020 . 1 . . . . . 99 ALA HA . 50114 1 831 . 1 . 1 99 99 ALA HB1 H 1 1.603 0.020 . 1 . . . . . 99 ALA HB . 50114 1 832 . 1 . 1 99 99 ALA HB2 H 1 1.603 0.020 . 1 . . . . . 99 ALA HB . 50114 1 833 . 1 . 1 99 99 ALA HB3 H 1 1.603 0.020 . 1 . . . . . 99 ALA HB . 50114 1 834 . 1 . 1 99 99 ALA C C 13 180.120 0.3 . 1 . . . . . 99 ALA C . 50114 1 835 . 1 . 1 99 99 ALA CA C 13 55.378 0.3 . 1 . . . . . 99 ALA CA . 50114 1 836 . 1 . 1 99 99 ALA CB C 13 18.255 0.3 . 1 . . . . . 99 ALA CB . 50114 1 837 . 1 . 1 99 99 ALA N N 15 122.919 0.3 . 1 . . . . . 99 ALA N . 50114 1 838 . 1 . 1 100 100 LEU H H 1 8.278 0.020 . 1 . . . . . 100 LEU H . 50114 1 839 . 1 . 1 100 100 LEU HA H 1 4.095 0.020 . 1 . . . . . 100 LEU HA . 50114 1 840 . 1 . 1 100 100 LEU HB2 H 1 1.884 0.020 . 1 . . . . . 100 LEU HB2 . 50114 1 841 . 1 . 1 100 100 LEU HB3 H 1 1.884 0.020 . 1 . . . . . 100 LEU HB3 . 50114 1 842 . 1 . 1 100 100 LEU HG H 1 1.749 0.020 . 1 . . . . . 100 LEU HG . 50114 1 843 . 1 . 1 100 100 LEU HD11 H 1 0.955 0.020 . 1 . . . . . 100 LEU HD1 . 50114 1 844 . 1 . 1 100 100 LEU HD12 H 1 0.955 0.020 . 1 . . . . . 100 LEU HD1 . 50114 1 845 . 1 . 1 100 100 LEU HD13 H 1 0.955 0.020 . 1 . . . . . 100 LEU HD1 . 50114 1 846 . 1 . 1 100 100 LEU HD21 H 1 0.955 0.020 . 1 . . . . . 100 LEU HD2 . 50114 1 847 . 1 . 1 100 100 LEU HD22 H 1 0.955 0.020 . 1 . . . . . 100 LEU HD2 . 50114 1 848 . 1 . 1 100 100 LEU HD23 H 1 0.955 0.020 . 1 . . . . . 100 LEU HD2 . 50114 1 849 . 1 . 1 100 100 LEU C C 13 178.848 0.3 . 1 . . . . . 100 LEU C . 50114 1 850 . 1 . 1 100 100 LEU CA C 13 58.118 0.3 . 1 . . . . . 100 LEU CA . 50114 1 851 . 1 . 1 100 100 LEU CB C 13 41.614 0.3 . 1 . . . . . 100 LEU CB . 50114 1 852 . 1 . 1 100 100 LEU CG C 13 26.919 0.3 . 1 . . . . . 100 LEU CG . 50114 1 853 . 1 . 1 100 100 LEU CD1 C 13 24.723 0.3 . 1 . . . . . 100 LEU CD1 . 50114 1 854 . 1 . 1 100 100 LEU N N 15 118.010 0.3 . 1 . . . . . 100 LEU N . 50114 1 855 . 1 . 1 101 101 ARG H H 1 8.198 0.020 . 1 . . . . . 101 ARG H . 50114 1 856 . 1 . 1 101 101 ARG HA H 1 4.084 0.020 . 1 . . . . . 101 ARG HA . 50114 1 857 . 1 . 1 101 101 ARG HB2 H 1 2.151 0.020 . 1 . . . . . 101 ARG HB2 . 50114 1 858 . 1 . 1 101 101 ARG HB3 H 1 2.151 0.020 . 1 . . . . . 101 ARG HB3 . 50114 1 859 . 1 . 1 101 101 ARG C C 13 178.341 0.3 . 1 . . . . . 101 ARG C . 50114 1 860 . 1 . 1 101 101 ARG CA C 13 59.607 0.3 . 1 . . . . . 101 ARG CA . 50114 1 861 . 1 . 1 101 101 ARG CB C 13 29.586 0.3 . 1 . . . . . 101 ARG CB . 50114 1 862 . 1 . 1 101 101 ARG CG C 13 25.384 0.3 . 1 . . . . . 101 ARG CG . 50114 1 863 . 1 . 1 101 101 ARG CD C 13 36.157 0.3 . 1 . . . . . 101 ARG CD . 50114 1 864 . 1 . 1 101 101 ARG N N 15 118.672 0.3 . 1 . . . . . 101 ARG N . 50114 1 865 . 1 . 1 103 103 ALA H H 1 8.180 0.020 . 1 . . . . . 103 ALA H . 50114 1 866 . 1 . 1 103 103 ALA HA H 1 4.253 0.020 . 1 . . . . . 103 ALA HA . 50114 1 867 . 1 . 1 103 103 ALA HB1 H 1 1.507 0.020 . 1 . . . . . 103 ALA HB . 50114 1 868 . 1 . 1 103 103 ALA HB2 H 1 1.507 0.020 . 1 . . . . . 103 ALA HB . 50114 1 869 . 1 . 1 103 103 ALA HB3 H 1 1.507 0.020 . 1 . . . . . 103 ALA HB . 50114 1 870 . 1 . 1 103 103 ALA C C 13 179.059 0.3 . 1 . . . . . 103 ALA C . 50114 1 871 . 1 . 1 103 103 ALA CA C 13 54.216 0.3 . 1 . . . . . 103 ALA CA . 50114 1 872 . 1 . 1 103 103 ALA CB C 13 18.763 0.3 . 1 . . . . . 103 ALA CB . 50114 1 873 . 1 . 1 103 103 ALA N N 15 122.134 0.3 . 1 . . . . . 103 ALA N . 50114 1 874 . 1 . 1 104 104 GLU H H 1 8.469 0.020 . 1 . . . . . 104 GLU H . 50114 1 875 . 1 . 1 104 104 GLU HA H 1 4.100 0.020 . 1 . . . . . 104 GLU HA . 50114 1 876 . 1 . 1 104 104 GLU HB2 H 1 1.961 0.020 . 1 . . . . . 104 GLU HB2 . 50114 1 877 . 1 . 1 104 104 GLU HB3 H 1 1.961 0.020 . 1 . . . . . 104 GLU HB3 . 50114 1 878 . 1 . 1 104 104 GLU HG2 H 1 2.284 0.020 . 1 . . . . . 104 GLU HG2 . 50114 1 879 . 1 . 1 104 104 GLU HG3 H 1 2.284 0.020 . 1 . . . . . 104 GLU HG3 . 50114 1 880 . 1 . 1 104 104 GLU C C 13 178.144 0.3 . 1 . . . . . 104 GLU C . 50114 1 881 . 1 . 1 104 104 GLU CA C 13 59.953 0.3 . 1 . . . . . 104 GLU CA . 50114 1 882 . 1 . 1 104 104 GLU CB C 13 29.576 0.3 . 1 . . . . . 104 GLU CB . 50114 1 883 . 1 . 1 104 104 GLU CG C 13 36.109 0.3 . 1 . . . . . 104 GLU CG . 50114 1 884 . 1 . 1 104 104 GLU N N 15 117.783 0.3 . 1 . . . . . 104 GLU N . 50114 1 885 . 1 . 1 106 106 GLU H H 1 8.381 0.020 . 1 . . . . . 106 GLU H . 50114 1 886 . 1 . 1 106 106 GLU HA H 1 4.110 0.020 . 1 . . . . . 106 GLU HA . 50114 1 887 . 1 . 1 106 106 GLU HB2 H 1 2.145 0.020 . 1 . . . . . 106 GLU HB2 . 50114 1 888 . 1 . 1 106 106 GLU HB3 H 1 2.145 0.020 . 1 . . . . . 106 GLU HB3 . 50114 1 889 . 1 . 1 106 106 GLU HG2 H 1 2.416 0.020 . 1 . . . . . 106 GLU HG2 . 50114 1 890 . 1 . 1 106 106 GLU HG3 H 1 2.416 0.020 . 1 . . . . . 106 GLU HG3 . 50114 1 891 . 1 . 1 106 106 GLU C C 13 178.905 0.3 . 1 . . . . . 106 GLU C . 50114 1 892 . 1 . 1 106 106 GLU CA C 13 59.174 0.3 . 1 . . . . . 106 GLU CA . 50114 1 893 . 1 . 1 106 106 GLU CB C 13 29.307 0.3 . 1 . . . . . 106 GLU CB . 50114 1 894 . 1 . 1 106 106 GLU CG C 13 35.898 0.3 . 1 . . . . . 106 GLU CG . 50114 1 895 . 1 . 1 106 106 GLU N N 15 117.841 0.3 . 1 . . . . . 106 GLU N . 50114 1 896 . 1 . 1 108 108 GLU H H 1 8.218 0.020 . 1 . . . . . 108 GLU H . 50114 1 897 . 1 . 1 108 108 GLU HA H 1 4.091 0.020 . 1 . . . . . 108 GLU HA . 50114 1 898 . 1 . 1 108 108 GLU HB2 H 1 2.109 0.020 . 1 . . . . . 108 GLU HB2 . 50114 1 899 . 1 . 1 108 108 GLU HB3 H 1 2.109 0.020 . 1 . . . . . 108 GLU HB3 . 50114 1 900 . 1 . 1 108 108 GLU HG2 H 1 2.276 0.020 . 1 . . . . . 108 GLU HG2 . 50114 1 901 . 1 . 1 108 108 GLU HG3 H 1 2.276 0.020 . 1 . . . . . 108 GLU HG3 . 50114 1 902 . 1 . 1 108 108 GLU C C 13 178.318 0.3 . 1 . . . . . 108 GLU C . 50114 1 903 . 1 . 1 108 108 GLU CA C 13 58.919 0.3 . 1 . . . . . 108 GLU CA . 50114 1 904 . 1 . 1 108 108 GLU CB C 13 30.296 0.3 . 1 . . . . . 108 GLU CB . 50114 1 905 . 1 . 1 108 108 GLU CG C 13 36.157 0.3 . 1 . . . . . 108 GLU CG . 50114 1 906 . 1 . 1 108 108 GLU N N 15 118.513 0.3 . 1 . . . . . 108 GLU N . 50114 1 907 . 1 . 1 109 109 SER H H 1 7.825 0.020 . 1 . . . . . 109 SER H . 50114 1 908 . 1 . 1 109 109 SER HA H 1 4.365 0.020 . 1 . . . . . 109 SER HA . 50114 1 909 . 1 . 1 109 109 SER HB2 H 1 4.039 0.020 . 1 . . . . . 109 SER HB2 . 50114 1 910 . 1 . 1 109 109 SER HB3 H 1 4.039 0.020 . 1 . . . . . 109 SER HB3 . 50114 1 911 . 1 . 1 109 109 SER C C 13 174.949 0.3 . 1 . . . . . 109 SER C . 50114 1 912 . 1 . 1 109 109 SER CA C 13 59.796 0.3 . 1 . . . . . 109 SER CA . 50114 1 913 . 1 . 1 109 109 SER CB C 13 63.450 0.3 . 1 . . . . . 109 SER CB . 50114 1 914 . 1 . 1 109 109 SER N N 15 112.816 0.3 . 1 . . . . . 109 SER N . 50114 1 915 . 1 . 1 110 110 HIS H H 1 7.856 0.020 . 1 . . . . . 110 HIS H . 50114 1 916 . 1 . 1 110 110 HIS HA H 1 4.738 0.020 . 1 . . . . . 110 HIS HA . 50114 1 917 . 1 . 1 110 110 HIS HB2 H 1 3.237 0.020 . 1 . . . . . 110 HIS HB2 . 50114 1 918 . 1 . 1 110 110 HIS HB3 H 1 3.237 0.020 . 1 . . . . . 110 HIS HB3 . 50114 1 919 . 1 . 1 110 110 HIS C C 13 174.448 0.3 . 1 . . . . . 110 HIS C . 50114 1 920 . 1 . 1 110 110 HIS CA C 13 55.908 0.3 . 1 . . . . . 110 HIS CA . 50114 1 921 . 1 . 1 110 110 HIS CB C 13 29.501 0.3 . 1 . . . . . 110 HIS CB . 50114 1 922 . 1 . 1 110 110 HIS N N 15 119.134 0.3 . 1 . . . . . 110 HIS N . 50114 1 923 . 1 . 1 111 111 SER H H 1 7.960 0.020 . 1 . . . . . 111 SER H . 50114 1 924 . 1 . 1 111 111 SER HA H 1 4.657 0.020 . 1 . . . . . 111 SER HA . 50114 1 925 . 1 . 1 111 111 SER HB2 H 1 3.940 0.020 . 1 . . . . . 111 SER HB2 . 50114 1 926 . 1 . 1 111 111 SER HB3 H 1 3.940 0.020 . 1 . . . . . 111 SER HB3 . 50114 1 927 . 1 . 1 111 111 SER C C 13 175.438 0.3 . 1 . . . . . 111 SER C . 50114 1 928 . 1 . 1 111 111 SER CA C 13 59.311 0.3 . 1 . . . . . 111 SER CA . 50114 1 929 . 1 . 1 111 111 SER CB C 13 64.867 0.3 . 1 . . . . . 111 SER CB . 50114 1 930 . 1 . 1 111 111 SER N N 15 115.153 0.3 . 1 . . . . . 111 SER N . 50114 1 931 . 1 . 1 113 113 TRP H H 1 7.869 0.020 . 1 . . . . . 113 TRP H . 50114 1 932 . 1 . 1 113 113 TRP HB2 H 1 3.145 0.020 . 1 . . . . . 113 TRP HB2 . 50114 1 933 . 1 . 1 113 113 TRP HB3 H 1 3.145 0.020 . 1 . . . . . 113 TRP HB3 . 50114 1 934 . 1 . 1 113 113 TRP HE1 H 1 9.973 0.020 . 1 . . . . . 113 TRP HE1 . 50114 1 935 . 1 . 1 113 113 TRP C C 13 175.857 0.3 . 1 . . . . . 113 TRP C . 50114 1 936 . 1 . 1 113 113 TRP CA C 13 57.810 0.3 . 1 . . . . . 113 TRP CA . 50114 1 937 . 1 . 1 113 113 TRP CB C 13 29.544 0.3 . 1 . . . . . 113 TRP CB . 50114 1 938 . 1 . 1 113 113 TRP N N 15 121.475 0.3 . 1 . . . . . 113 TRP N . 50114 1 939 . 1 . 1 113 113 TRP NE1 N 15 128.588 0.3 . 1 . . . . . 113 TRP NE1 . 50114 1 940 . 1 . 1 114 114 TYR H H 1 7.419 0.020 . 1 . . . . . 114 TYR H . 50114 1 941 . 1 . 1 114 114 TYR HA H 1 4.517 0.020 . 1 . . . . . 114 TYR HA . 50114 1 942 . 1 . 1 114 114 TYR HB2 H 1 2.762 0.020 . 1 . . . . . 114 TYR HB2 . 50114 1 943 . 1 . 1 114 114 TYR HB3 H 1 2.762 0.020 . 1 . . . . . 114 TYR HB3 . 50114 1 944 . 1 . 1 114 114 TYR HD1 H 1 6.972 0.020 . 1 . . . . . 114 TYR HD1 . 50114 1 945 . 1 . 1 114 114 TYR HD2 H 1 6.972 0.020 . 1 . . . . . 114 TYR HD2 . 50114 1 946 . 1 . 1 114 114 TYR C C 13 174.253 0.3 . 1 . . . . . 114 TYR C . 50114 1 947 . 1 . 1 114 114 TYR CA C 13 57.500 0.3 . 1 . . . . . 114 TYR CA . 50114 1 948 . 1 . 1 114 114 TYR CB C 13 38.909 0.3 . 1 . . . . . 114 TYR CB . 50114 1 949 . 1 . 1 114 114 TYR N N 15 118.269 0.3 . 1 . . . . . 114 TYR N . 50114 1 950 . 1 . 1 115 115 ALA H H 1 7.493 0.020 . 1 . . . . . 115 ALA H . 50114 1 951 . 1 . 1 115 115 ALA HA H 1 4.074 0.020 . 1 . . . . . 115 ALA HA . 50114 1 952 . 1 . 1 115 115 ALA HB1 H 1 1.307 0.020 . 1 . . . . . 115 ALA HB . 50114 1 953 . 1 . 1 115 115 ALA HB2 H 1 1.307 0.020 . 1 . . . . . 115 ALA HB . 50114 1 954 . 1 . 1 115 115 ALA HB3 H 1 1.307 0.020 . 1 . . . . . 115 ALA HB . 50114 1 955 . 1 . 1 115 115 ALA C C 13 182.340 0.3 . 1 . . . . . 115 ALA C . 50114 1 956 . 1 . 1 115 115 ALA CA C 13 54.019 0.3 . 1 . . . . . 115 ALA CA . 50114 1 957 . 1 . 1 115 115 ALA CB C 13 20.399 0.3 . 1 . . . . . 115 ALA CB . 50114 1 958 . 1 . 1 115 115 ALA N N 15 130.113 0.3 . 1 . . . . . 115 ALA N . 50114 1 stop_ save_