data_31060 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 31060 _Entry.Title ; Structure of N-terminal of Schistosoma japonicum asparaginyl-tRNA synthetase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-11-25 _Entry.Accession_date 2022-11-25 _Entry.Last_release_date 2023-02-02 _Entry.Original_release_date 2023-02-02 _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 NMR' _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 Y. Peck Y. . . . 31060 2 N. Daly N. L. . . 31060 3 M. Mobli M. . . . 31060 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Extension Domain' . 31060 'UNKNOWN FUNCTION' . 31060 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 31060 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 421 31060 '15N chemical shifts' 120 31060 '1H chemical shifts' 632 31060 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2023-08-29 . original BMRB . 31060 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8FA3 'BMRB Entry Tracking System' 31060 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 31060 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37572327 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Solution structure of the N-terminal extension domain of a Schistosoma japonicum asparaginyl-tRNA synthetase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. Struct. Dyn.' _Citation.Journal_name_full 'Journal of biomolecular structure & dynamics' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1538-0254 _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1 _Citation.Page_last 11 _Citation.Year 2023 _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 Yoshimi Peck Y. . . . 31060 1 2 Darren Pickering D. . . . 31060 1 3 Mehdi Mobli M. . . . 31060 1 4 Michael Liddell M. J. . . 31060 1 5 David Wilson D. T. . . 31060 1 6 Roland Ruscher R. . . . 31060 1 7 Stephanie Ryan S. . . . 31060 1 8 Geraldine Buitrago G. . . . 31060 1 9 Connor McHugh C. . . . 31060 1 10 Nicholas Love N. C. . . 31060 1 11 Theresa Pinlac T. . . . 31060 1 12 Michael Haertlein M. . . . 31060 1 13 Michael Kron M. A. . . 31060 1 14 Alex Loukas A. . . . 31060 1 15 Norelle Daly N. L. . . 31060 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 31060 _Assembly.ID 1 _Assembly.Name 'Asparagine--tRNA ligase' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 31060 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 31060 _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 ; MQIYTSEKRGSDTAGNGTEE APLKTVLQAIVKLDGKIEAD TRIWVDGTGDEMWDVVSKSK LKKATKQYHIQTKKQEKAPH EKIVSYENGDNVNLSEAINV QLTLDTKLPEAKELHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'N-terminal residues 1-114' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13576.252 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'tRNA synthetase' common 31060 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 31060 1 2 . GLN . 31060 1 3 . ILE . 31060 1 4 . TYR . 31060 1 5 . THR . 31060 1 6 . SER . 31060 1 7 . GLU . 31060 1 8 . LYS . 31060 1 9 . ARG . 31060 1 10 . GLY . 31060 1 11 . SER . 31060 1 12 . ASP . 31060 1 13 . THR . 31060 1 14 . ALA . 31060 1 15 . GLY . 31060 1 16 . ASN . 31060 1 17 . GLY . 31060 1 18 . THR . 31060 1 19 . GLU . 31060 1 20 . GLU . 31060 1 21 . ALA . 31060 1 22 . PRO . 31060 1 23 . LEU . 31060 1 24 . LYS . 31060 1 25 . THR . 31060 1 26 . VAL . 31060 1 27 . LEU . 31060 1 28 . GLN . 31060 1 29 . ALA . 31060 1 30 . ILE . 31060 1 31 . VAL . 31060 1 32 . LYS . 31060 1 33 . LEU . 31060 1 34 . ASP . 31060 1 35 . GLY . 31060 1 36 . LYS . 31060 1 37 . ILE . 31060 1 38 . GLU . 31060 1 39 . ALA . 31060 1 40 . ASP . 31060 1 41 . THR . 31060 1 42 . ARG . 31060 1 43 . ILE . 31060 1 44 . TRP . 31060 1 45 . VAL . 31060 1 46 . ASP . 31060 1 47 . GLY . 31060 1 48 . THR . 31060 1 49 . GLY . 31060 1 50 . ASP . 31060 1 51 . GLU . 31060 1 52 . MET . 31060 1 53 . TRP . 31060 1 54 . ASP . 31060 1 55 . VAL . 31060 1 56 . VAL . 31060 1 57 . SER . 31060 1 58 . LYS . 31060 1 59 . SER . 31060 1 60 . LYS . 31060 1 61 . LEU . 31060 1 62 . LYS . 31060 1 63 . LYS . 31060 1 64 . ALA . 31060 1 65 . THR . 31060 1 66 . LYS . 31060 1 67 . GLN . 31060 1 68 . TYR . 31060 1 69 . HIS . 31060 1 70 . ILE . 31060 1 71 . GLN . 31060 1 72 . THR . 31060 1 73 . LYS . 31060 1 74 . LYS . 31060 1 75 . GLN . 31060 1 76 . GLU . 31060 1 77 . LYS . 31060 1 78 . ALA . 31060 1 79 . PRO . 31060 1 80 . HIS . 31060 1 81 . GLU . 31060 1 82 . LYS . 31060 1 83 . ILE . 31060 1 84 . VAL . 31060 1 85 . SER . 31060 1 86 . TYR . 31060 1 87 . GLU . 31060 1 88 . ASN . 31060 1 89 . GLY . 31060 1 90 . ASP . 31060 1 91 . ASN . 31060 1 92 . VAL . 31060 1 93 . ASN . 31060 1 94 . LEU . 31060 1 95 . SER . 31060 1 96 . GLU . 31060 1 97 . ALA . 31060 1 98 . ILE . 31060 1 99 . ASN . 31060 1 100 . VAL . 31060 1 101 . GLN . 31060 1 102 . LEU . 31060 1 103 . THR . 31060 1 104 . LEU . 31060 1 105 . ASP . 31060 1 106 . THR . 31060 1 107 . LYS . 31060 1 108 . LEU . 31060 1 109 . PRO . 31060 1 110 . GLU . 31060 1 111 . ALA . 31060 1 112 . LYS . 31060 1 113 . GLU . 31060 1 114 . LEU . 31060 1 115 . HIS . 31060 1 116 . HIS . 31060 1 117 . HIS . 31060 1 118 . HIS . 31060 1 119 . HIS . 31060 1 120 . HIS . 31060 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 31060 1 . GLN 2 2 31060 1 . ILE 3 3 31060 1 . TYR 4 4 31060 1 . THR 5 5 31060 1 . SER 6 6 31060 1 . GLU 7 7 31060 1 . LYS 8 8 31060 1 . ARG 9 9 31060 1 . GLY 10 10 31060 1 . SER 11 11 31060 1 . ASP 12 12 31060 1 . THR 13 13 31060 1 . ALA 14 14 31060 1 . GLY 15 15 31060 1 . ASN 16 16 31060 1 . GLY 17 17 31060 1 . THR 18 18 31060 1 . GLU 19 19 31060 1 . GLU 20 20 31060 1 . ALA 21 21 31060 1 . PRO 22 22 31060 1 . LEU 23 23 31060 1 . LYS 24 24 31060 1 . THR 25 25 31060 1 . VAL 26 26 31060 1 . LEU 27 27 31060 1 . GLN 28 28 31060 1 . ALA 29 29 31060 1 . ILE 30 30 31060 1 . VAL 31 31 31060 1 . LYS 32 32 31060 1 . LEU 33 33 31060 1 . ASP 34 34 31060 1 . GLY 35 35 31060 1 . LYS 36 36 31060 1 . ILE 37 37 31060 1 . GLU 38 38 31060 1 . ALA 39 39 31060 1 . ASP 40 40 31060 1 . THR 41 41 31060 1 . ARG 42 42 31060 1 . ILE 43 43 31060 1 . TRP 44 44 31060 1 . VAL 45 45 31060 1 . ASP 46 46 31060 1 . GLY 47 47 31060 1 . THR 48 48 31060 1 . GLY 49 49 31060 1 . ASP 50 50 31060 1 . GLU 51 51 31060 1 . MET 52 52 31060 1 . TRP 53 53 31060 1 . ASP 54 54 31060 1 . VAL 55 55 31060 1 . VAL 56 56 31060 1 . SER 57 57 31060 1 . LYS 58 58 31060 1 . SER 59 59 31060 1 . LYS 60 60 31060 1 . LEU 61 61 31060 1 . LYS 62 62 31060 1 . LYS 63 63 31060 1 . ALA 64 64 31060 1 . THR 65 65 31060 1 . LYS 66 66 31060 1 . GLN 67 67 31060 1 . TYR 68 68 31060 1 . HIS 69 69 31060 1 . ILE 70 70 31060 1 . GLN 71 71 31060 1 . THR 72 72 31060 1 . LYS 73 73 31060 1 . LYS 74 74 31060 1 . GLN 75 75 31060 1 . GLU 76 76 31060 1 . LYS 77 77 31060 1 . ALA 78 78 31060 1 . PRO 79 79 31060 1 . HIS 80 80 31060 1 . GLU 81 81 31060 1 . LYS 82 82 31060 1 . ILE 83 83 31060 1 . VAL 84 84 31060 1 . SER 85 85 31060 1 . TYR 86 86 31060 1 . GLU 87 87 31060 1 . ASN 88 88 31060 1 . GLY 89 89 31060 1 . ASP 90 90 31060 1 . ASN 91 91 31060 1 . VAL 92 92 31060 1 . ASN 93 93 31060 1 . LEU 94 94 31060 1 . SER 95 95 31060 1 . GLU 96 96 31060 1 . ALA 97 97 31060 1 . ILE 98 98 31060 1 . ASN 99 99 31060 1 . VAL 100 100 31060 1 . GLN 101 101 31060 1 . LEU 102 102 31060 1 . THR 103 103 31060 1 . LEU 104 104 31060 1 . ASP 105 105 31060 1 . THR 106 106 31060 1 . LYS 107 107 31060 1 . LEU 108 108 31060 1 . PRO 109 109 31060 1 . GLU 110 110 31060 1 . ALA 111 111 31060 1 . LYS 112 112 31060 1 . GLU 113 113 31060 1 . LEU 114 114 31060 1 . HIS 115 115 31060 1 . HIS 116 116 31060 1 . HIS 117 117 31060 1 . HIS 118 118 31060 1 . HIS 119 119 31060 1 . HIS 120 120 31060 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 31060 _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 . 6182 organism . 'Schistosoma japonicum' 'Schistosoma japonicum' . . Eukaryota Metazoa Schistosoma japonicum . . . . . . . . . . . nars-prov . 31060 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 31060 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 31060 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 31060 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.1 mM [U-100% 13C; U-100% 15N] N-terminal tRNA synthetase, 90% PBS/10%D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% PBS/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 'N-terminal tRNA synthetase' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.1 . . mM . . . . 31060 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 31060 _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 pH 7.1 . pH 31060 1 pressure 1 . atm 31060 1 temperature 298 . K 31060 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 31060 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 31060 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 31060 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 31060 _Software.ID 2 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 31060 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 31060 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 31060 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 31060 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 31060 3 'structure calculation' . 31060 3 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 31060 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 31060 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AVANCE . 900 . . . 31060 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 31060 _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 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31060 1 2 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31060 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31060 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31060 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31060 1 6 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31060 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31060 1 8 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31060 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31060 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 31060 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 external indirect 0.251449530 . . . . . 31060 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 external direct 1.0 . . . . . 31060 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 external indirect 0.101329118 . . . . . 31060 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 31060 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-13C NOESY aliphatic' . . . 31060 1 2 '3D 1H-13C NOESY aromatic' . . . 31060 1 3 '3D 1H-15N NOESY' . . . 31060 1 4 '3D HNCACB' . . . 31060 1 5 '3D CBCA(CO)NH' . . . 31060 1 6 '3D HNCO' . . . 31060 1 7 '3D HBHA(CO)NH' . . . 31060 1 8 '3D H(CCO)NH' . . . 31060 1 9 '2D 1H-15N HSQC' . . . 31060 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 2 2 GLN HA H 1 5.329 0.020 . 1 . . . . A 2 GLN HA . 31060 1 2 . 1 . 1 2 2 GLN HB2 H 1 1.852 0.020 . 2 . . . . A 2 GLN HB2 . 31060 1 3 . 1 . 1 2 2 GLN HB3 H 1 2.017 0.020 . 2 . . . . A 2 GLN HB3 . 31060 1 4 . 1 . 1 2 2 GLN HG2 H 1 2.458 0.020 . 2 . . . . A 2 GLN HG2 . 31060 1 5 . 1 . 1 2 2 GLN HG3 H 1 2.270 0.020 . 2 . . . . A 2 GLN HG3 . 31060 1 6 . 1 . 1 2 2 GLN HE21 H 1 6.857 0.020 . 2 . . . . A 2 GLN HE21 . 31060 1 7 . 1 . 1 2 2 GLN HE22 H 1 7.524 0.020 . 2 . . . . A 2 GLN HE22 . 31060 1 8 . 1 . 1 2 2 GLN C C 13 174.327 0.400 . 1 . . . . A 2 GLN C . 31060 1 9 . 1 . 1 2 2 GLN CA C 13 53.968 0.400 . 1 . . . . A 2 GLN CA . 31060 1 10 . 1 . 1 2 2 GLN CB C 13 30.943 0.400 . 1 . . . . A 2 GLN CB . 31060 1 11 . 1 . 1 2 2 GLN CG C 13 33.413 0.400 . 1 . . . . A 2 GLN CG . 31060 1 12 . 1 . 1 2 2 GLN NE2 N 15 111.993 0.400 . 1 . . . . A 2 GLN NE2 . 31060 1 13 . 1 . 1 3 3 ILE H H 1 8.668 0.020 . 1 . . . . A 3 ILE H . 31060 1 14 . 1 . 1 3 3 ILE HA H 1 4.495 0.020 . 1 . . . . A 3 ILE HA . 31060 1 15 . 1 . 1 3 3 ILE HB H 1 1.579 0.020 . 1 . . . . A 3 ILE HB . 31060 1 16 . 1 . 1 3 3 ILE HG12 H 1 1.367 0.020 . 2 . . . . A 3 ILE HG12 . 31060 1 17 . 1 . 1 3 3 ILE HG13 H 1 1.043 0.020 . 2 . . . . A 3 ILE HG13 . 31060 1 18 . 1 . 1 3 3 ILE HG21 H 1 0.777 0.020 . 1 . . . . A 3 ILE HG21 . 31060 1 19 . 1 . 1 3 3 ILE HG22 H 1 0.777 0.020 . 1 . . . . A 3 ILE HG22 . 31060 1 20 . 1 . 1 3 3 ILE HG23 H 1 0.777 0.020 . 1 . . . . A 3 ILE HG23 . 31060 1 21 . 1 . 1 3 3 ILE HD11 H 1 0.758 0.020 . 1 . . . . A 3 ILE HD11 . 31060 1 22 . 1 . 1 3 3 ILE HD12 H 1 0.758 0.020 . 1 . . . . A 3 ILE HD12 . 31060 1 23 . 1 . 1 3 3 ILE HD13 H 1 0.758 0.020 . 1 . . . . A 3 ILE HD13 . 31060 1 24 . 1 . 1 3 3 ILE C C 13 173.181 0.400 . 1 . . . . A 3 ILE C . 31060 1 25 . 1 . 1 3 3 ILE CA C 13 59.367 0.400 . 1 . . . . A 3 ILE CA . 31060 1 26 . 1 . 1 3 3 ILE CB C 13 40.692 0.400 . 1 . . . . A 3 ILE CB . 31060 1 27 . 1 . 1 3 3 ILE CG1 C 13 27.828 0.400 . 1 . . . . A 3 ILE CG1 . 31060 1 28 . 1 . 1 3 3 ILE CG2 C 13 18.691 0.400 . 1 . . . . A 3 ILE CG2 . 31060 1 29 . 1 . 1 3 3 ILE CD1 C 13 12.830 0.400 . 1 . . . . A 3 ILE CD1 . 31060 1 30 . 1 . 1 3 3 ILE N N 15 122.066 0.400 . 1 . . . . A 3 ILE N . 31060 1 31 . 1 . 1 4 4 TYR H H 1 9.108 0.020 . 1 . . . . A 4 TYR H . 31060 1 32 . 1 . 1 4 4 TYR HA H 1 4.001 0.020 . 1 . . . . A 4 TYR HA . 31060 1 33 . 1 . 1 4 4 TYR HB2 H 1 2.058 0.020 . 2 . . . . A 4 TYR HB2 . 31060 1 34 . 1 . 1 4 4 TYR HB3 H 1 1.757 0.020 . 2 . . . . A 4 TYR HB3 . 31060 1 35 . 1 . 1 4 4 TYR HD1 H 1 7.029 0.020 . 1 . . . . A 4 TYR HD1 . 31060 1 36 . 1 . 1 4 4 TYR HD2 H 1 7.029 0.020 . 1 . . . . A 4 TYR HD2 . 31060 1 37 . 1 . 1 4 4 TYR HE1 H 1 6.721 0.020 . 1 . . . . A 4 TYR HE1 . 31060 1 38 . 1 . 1 4 4 TYR HE2 H 1 6.721 0.020 . 1 . . . . A 4 TYR HE2 . 31060 1 39 . 1 . 1 4 4 TYR C C 13 174.513 0.400 . 1 . . . . A 4 TYR C . 31060 1 40 . 1 . 1 4 4 TYR CA C 13 59.012 0.400 . 1 . . . . A 4 TYR CA . 31060 1 41 . 1 . 1 4 4 TYR CB C 13 37.959 0.400 . 1 . . . . A 4 TYR CB . 31060 1 42 . 1 . 1 4 4 TYR CD1 C 13 133.195 0.400 . 3 . . . . A 4 TYR CD1 . 31060 1 43 . 1 . 1 4 4 TYR CE2 C 13 118.255 0.400 . 3 . . . . A 4 TYR CE2 . 31060 1 44 . 1 . 1 4 4 TYR N N 15 126.575 0.400 . 1 . . . . A 4 TYR N . 31060 1 45 . 1 . 1 5 5 THR H H 1 7.854 0.020 . 1 . . . . A 5 THR H . 31060 1 46 . 1 . 1 5 5 THR HA H 1 4.759 0.020 . 1 . . . . A 5 THR HA . 31060 1 47 . 1 . 1 5 5 THR HB H 1 3.256 0.020 . 1 . . . . A 5 THR HB . 31060 1 48 . 1 . 1 5 5 THR HG21 H 1 0.877 0.020 . 1 . . . . A 5 THR HG21 . 31060 1 49 . 1 . 1 5 5 THR HG22 H 1 0.877 0.020 . 1 . . . . A 5 THR HG22 . 31060 1 50 . 1 . 1 5 5 THR HG23 H 1 0.877 0.020 . 1 . . . . A 5 THR HG23 . 31060 1 51 . 1 . 1 5 5 THR C C 13 170.033 0.400 . 1 . . . . A 5 THR C . 31060 1 52 . 1 . 1 5 5 THR CA C 13 58.562 0.400 . 1 . . . . A 5 THR CA . 31060 1 53 . 1 . 1 5 5 THR CB C 13 70.608 0.400 . 1 . . . . A 5 THR CB . 31060 1 54 . 1 . 1 5 5 THR CG2 C 13 22.804 0.400 . 1 . . . . A 5 THR CG2 . 31060 1 55 . 1 . 1 5 5 THR N N 15 116.370 0.400 . 1 . . . . A 5 THR N . 31060 1 56 . 1 . 1 6 6 SER H H 1 9.004 0.020 . 1 . . . . A 6 SER H . 31060 1 57 . 1 . 1 6 6 SER HA H 1 5.041 0.020 . 1 . . . . A 6 SER HA . 31060 1 58 . 1 . 1 6 6 SER HB2 H 1 3.267 0.020 . 2 . . . . A 6 SER HB2 . 31060 1 59 . 1 . 1 6 6 SER HB3 H 1 4.024 0.020 . 2 . . . . A 6 SER HB3 . 31060 1 60 . 1 . 1 6 6 SER C C 13 176.331 0.400 . 1 . . . . A 6 SER C . 31060 1 61 . 1 . 1 6 6 SER CA C 13 55.801 0.400 . 1 . . . . A 6 SER CA . 31060 1 62 . 1 . 1 6 6 SER CB C 13 65.715 0.400 . 1 . . . . A 6 SER CB . 31060 1 63 . 1 . 1 6 6 SER N N 15 113.251 0.400 . 1 . . . . A 6 SER N . 31060 1 64 . 1 . 1 7 7 GLU H H 1 9.130 0.020 . 1 . . . . A 7 GLU H . 31060 1 65 . 1 . 1 7 7 GLU HA H 1 4.175 0.020 . 1 . . . . A 7 GLU HA . 31060 1 66 . 1 . 1 7 7 GLU HB2 H 1 2.086 0.020 . 2 . . . . A 7 GLU HB2 . 31060 1 67 . 1 . 1 7 7 GLU HB3 H 1 1.994 0.020 . 2 . . . . A 7 GLU HB3 . 31060 1 68 . 1 . 1 7 7 GLU HG2 H 1 2.415 0.020 . 2 . . . . A 7 GLU HG2 . 31060 1 69 . 1 . 1 7 7 GLU HG3 H 1 2.257 0.020 . 2 . . . . A 7 GLU HG3 . 31060 1 70 . 1 . 1 7 7 GLU C C 13 180.089 0.400 . 1 . . . . A 7 GLU C . 31060 1 71 . 1 . 1 7 7 GLU CA C 13 59.757 0.400 . 1 . . . . A 7 GLU CA . 31060 1 72 . 1 . 1 7 7 GLU CB C 13 29.440 0.400 . 1 . . . . A 7 GLU CB . 31060 1 73 . 1 . 1 7 7 GLU CG C 13 37.103 0.400 . 1 . . . . A 7 GLU CG . 31060 1 74 . 1 . 1 7 7 GLU N N 15 134.494 0.400 . 1 . . . . A 7 GLU N . 31060 1 75 . 1 . 1 8 8 LYS H H 1 9.641 0.020 . 1 . . . . A 8 LYS H . 31060 1 76 . 1 . 1 8 8 LYS HA H 1 4.022 0.020 . 1 . . . . A 8 LYS HA . 31060 1 77 . 1 . 1 8 8 LYS HB2 H 1 1.649 0.020 . 2 . . . . A 8 LYS HB2 . 31060 1 78 . 1 . 1 8 8 LYS HB3 H 1 1.649 0.020 . 2 . . . . A 8 LYS HB3 . 31060 1 79 . 1 . 1 8 8 LYS HG2 H 1 1.334 0.020 . 2 . . . . A 8 LYS HG2 . 31060 1 80 . 1 . 1 8 8 LYS HG3 H 1 1.334 0.020 . 2 . . . . A 8 LYS HG3 . 31060 1 81 . 1 . 1 8 8 LYS HD2 H 1 1.472 0.020 . 2 . . . . A 8 LYS HD2 . 31060 1 82 . 1 . 1 8 8 LYS HD3 H 1 1.472 0.020 . 2 . . . . A 8 LYS HD3 . 31060 1 83 . 1 . 1 8 8 LYS HE2 H 1 2.829 0.020 . 2 . . . . A 8 LYS HE2 . 31060 1 84 . 1 . 1 8 8 LYS HE3 H 1 2.829 0.020 . 2 . . . . A 8 LYS HE3 . 31060 1 85 . 1 . 1 8 8 LYS C C 13 179.101 0.400 . 1 . . . . A 8 LYS C . 31060 1 86 . 1 . 1 8 8 LYS CA C 13 59.802 0.400 . 1 . . . . A 8 LYS CA . 31060 1 87 . 1 . 1 8 8 LYS CB C 13 33.928 0.400 . 1 . . . . A 8 LYS CB . 31060 1 88 . 1 . 1 8 8 LYS CG C 13 26.030 0.400 . 1 . . . . A 8 LYS CG . 31060 1 89 . 1 . 1 8 8 LYS CE C 13 42.179 0.400 . 1 . . . . A 8 LYS CE . 31060 1 90 . 1 . 1 8 8 LYS N N 15 120.256 0.400 . 1 . . . . A 8 LYS N . 31060 1 91 . 1 . 1 9 9 ARG H H 1 8.702 0.020 . 1 . . . . A 9 ARG H . 31060 1 92 . 1 . 1 9 9 ARG HA H 1 4.679 0.020 . 1 . . . . A 9 ARG HA . 31060 1 93 . 1 . 1 9 9 ARG HB2 H 1 1.731 0.020 . 2 . . . . A 9 ARG HB2 . 31060 1 94 . 1 . 1 9 9 ARG HB3 H 1 1.643 0.020 . 2 . . . . A 9 ARG HB3 . 31060 1 95 . 1 . 1 9 9 ARG HG2 H 1 1.444 0.020 . 2 . . . . A 9 ARG HG2 . 31060 1 96 . 1 . 1 9 9 ARG HG3 H 1 1.299 0.020 . 2 . . . . A 9 ARG HG3 . 31060 1 97 . 1 . 1 9 9 ARG HD2 H 1 3.045 0.020 . 2 . . . . A 9 ARG HD2 . 31060 1 98 . 1 . 1 9 9 ARG HD3 H 1 3.121 0.020 . 2 . . . . A 9 ARG HD3 . 31060 1 99 . 1 . 1 9 9 ARG C C 13 177.471 0.400 . 1 . . . . A 9 ARG C . 31060 1 100 . 1 . 1 9 9 ARG CA C 13 55.797 0.400 . 1 . . . . A 9 ARG CA . 31060 1 101 . 1 . 1 9 9 ARG CB C 13 32.729 0.400 . 1 . . . . A 9 ARG CB . 31060 1 102 . 1 . 1 9 9 ARG CG C 13 26.893 0.400 . 1 . . . . A 9 ARG CG . 31060 1 103 . 1 . 1 9 9 ARG CD C 13 42.728 0.400 . 1 . . . . A 9 ARG CD . 31060 1 104 . 1 . 1 9 9 ARG N N 15 113.857 0.400 . 1 . . . . A 9 ARG N . 31060 1 105 . 1 . 1 10 10 GLY H H 1 8.564 0.020 . 1 . . . . A 10 GLY H . 31060 1 106 . 1 . 1 10 10 GLY HA2 H 1 3.983 0.020 . 2 . . . . A 10 GLY HA2 . 31060 1 107 . 1 . 1 10 10 GLY HA3 H 1 3.953 0.020 . 2 . . . . A 10 GLY HA3 . 31060 1 108 . 1 . 1 10 10 GLY C C 13 172.961 0.400 . 1 . . . . A 10 GLY C . 31060 1 109 . 1 . 1 10 10 GLY CA C 13 44.781 0.400 . 1 . . . . A 10 GLY CA . 31060 1 110 . 1 . 1 10 10 GLY N N 15 109.069 0.400 . 1 . . . . A 10 GLY N . 31060 1 111 . 1 . 1 11 11 SER H H 1 7.758 0.020 . 1 . . . . A 11 SER H . 31060 1 112 . 1 . 1 11 11 SER HA H 1 4.712 0.020 . 1 . . . . A 11 SER HA . 31060 1 113 . 1 . 1 11 11 SER HB2 H 1 3.476 0.020 . 2 . . . . A 11 SER HB2 . 31060 1 114 . 1 . 1 11 11 SER HB3 H 1 3.951 0.020 . 2 . . . . A 11 SER HB3 . 31060 1 115 . 1 . 1 11 11 SER C C 13 175.867 0.400 . 1 . . . . A 11 SER C . 31060 1 116 . 1 . 1 11 11 SER CA C 13 56.644 0.400 . 1 . . . . A 11 SER CA . 31060 1 117 . 1 . 1 11 11 SER CB C 13 64.028 0.400 . 1 . . . . A 11 SER CB . 31060 1 118 . 1 . 1 11 11 SER N N 15 109.671 0.400 . 1 . . . . A 11 SER N . 31060 1 119 . 1 . 1 12 12 ASP H H 1 9.730 0.020 . 1 . . . . A 12 ASP H . 31060 1 120 . 1 . 1 12 12 ASP HA H 1 4.900 0.020 . 1 . . . . A 12 ASP HA . 31060 1 121 . 1 . 1 12 12 ASP HB2 H 1 2.741 0.020 . 2 . . . . A 12 ASP HB2 . 31060 1 122 . 1 . 1 12 12 ASP HB3 H 1 2.515 0.020 . 2 . . . . A 12 ASP HB3 . 31060 1 123 . 1 . 1 12 12 ASP C C 13 176.258 0.400 . 1 . . . . A 12 ASP C . 31060 1 124 . 1 . 1 12 12 ASP CA C 13 56.303 0.400 . 1 . . . . A 12 ASP CA . 31060 1 125 . 1 . 1 12 12 ASP CB C 13 40.232 0.400 . 1 . . . . A 12 ASP CB . 31060 1 126 . 1 . 1 12 12 ASP N N 15 130.479 0.400 . 1 . . . . A 12 ASP N . 31060 1 127 . 1 . 1 13 13 THR H H 1 7.847 0.020 . 1 . . . . A 13 THR H . 31060 1 128 . 1 . 1 13 13 THR HA H 1 4.289 0.020 . 1 . . . . A 13 THR HA . 31060 1 129 . 1 . 1 13 13 THR HB H 1 4.075 0.020 . 1 . . . . A 13 THR HB . 31060 1 130 . 1 . 1 13 13 THR HG21 H 1 1.148 0.020 . 1 . . . . A 13 THR HG21 . 31060 1 131 . 1 . 1 13 13 THR HG22 H 1 1.148 0.020 . 1 . . . . A 13 THR HG22 . 31060 1 132 . 1 . 1 13 13 THR HG23 H 1 1.148 0.020 . 1 . . . . A 13 THR HG23 . 31060 1 133 . 1 . 1 13 13 THR C C 13 175.554 0.400 . 1 . . . . A 13 THR C . 31060 1 134 . 1 . 1 13 13 THR CA C 13 62.512 0.400 . 1 . . . . A 13 THR CA . 31060 1 135 . 1 . 1 13 13 THR CB C 13 68.995 0.400 . 1 . . . . A 13 THR CB . 31060 1 136 . 1 . 1 13 13 THR N N 15 109.739 0.400 . 1 . . . . A 13 THR N . 31060 1 137 . 1 . 1 14 14 ALA H H 1 8.342 0.020 . 1 . . . . A 14 ALA H . 31060 1 138 . 1 . 1 14 14 ALA HA H 1 4.518 0.020 . 1 . . . . A 14 ALA HA . 31060 1 139 . 1 . 1 14 14 ALA HB1 H 1 1.311 0.020 . 1 . . . . A 14 ALA HB1 . 31060 1 140 . 1 . 1 14 14 ALA HB2 H 1 1.311 0.020 . 1 . . . . A 14 ALA HB2 . 31060 1 141 . 1 . 1 14 14 ALA HB3 H 1 1.311 0.020 . 1 . . . . A 14 ALA HB3 . 31060 1 142 . 1 . 1 14 14 ALA C C 13 178.379 0.400 . 1 . . . . A 14 ALA C . 31060 1 143 . 1 . 1 14 14 ALA CA C 13 51.754 0.400 . 1 . . . . A 14 ALA CA . 31060 1 144 . 1 . 1 14 14 ALA CB C 13 20.073 0.400 . 1 . . . . A 14 ALA CB . 31060 1 145 . 1 . 1 14 14 ALA N N 15 122.524 0.400 . 1 . . . . A 14 ALA N . 31060 1 146 . 1 . 1 15 15 GLY H H 1 7.265 0.020 . 1 . . . . A 15 GLY H . 31060 1 147 . 1 . 1 15 15 GLY HA2 H 1 3.898 0.020 . 2 . . . . A 15 GLY HA2 . 31060 1 148 . 1 . 1 15 15 GLY HA3 H 1 3.799 0.020 . 2 . . . . A 15 GLY HA3 . 31060 1 149 . 1 . 1 15 15 GLY C C 13 172.745 0.400 . 1 . . . . A 15 GLY C . 31060 1 150 . 1 . 1 15 15 GLY CA C 13 45.003 0.400 . 1 . . . . A 15 GLY CA . 31060 1 151 . 1 . 1 15 15 GLY N N 15 106.383 0.400 . 1 . . . . A 15 GLY N . 31060 1 152 . 1 . 1 16 16 ASN H H 1 8.990 0.020 . 1 . . . . A 16 ASN H . 31060 1 153 . 1 . 1 16 16 ASN HA H 1 4.948 0.020 . 1 . . . . A 16 ASN HA . 31060 1 154 . 1 . 1 16 16 ASN HB2 H 1 3.184 0.020 . 2 . . . . A 16 ASN HB2 . 31060 1 155 . 1 . 1 16 16 ASN HB3 H 1 2.822 0.020 . 2 . . . . A 16 ASN HB3 . 31060 1 156 . 1 . 1 16 16 ASN HD21 H 1 7.633 0.020 . 2 . . . . A 16 ASN HD21 . 31060 1 157 . 1 . 1 16 16 ASN HD22 H 1 7.164 0.020 . 2 . . . . A 16 ASN HD22 . 31060 1 158 . 1 . 1 16 16 ASN C C 13 177.083 0.400 . 1 . . . . A 16 ASN C . 31060 1 159 . 1 . 1 16 16 ASN CA C 13 52.001 0.400 . 1 . . . . A 16 ASN CA . 31060 1 160 . 1 . 1 16 16 ASN CB C 13 39.637 0.400 . 1 . . . . A 16 ASN CB . 31060 1 161 . 1 . 1 16 16 ASN N N 15 114.325 0.400 . 1 . . . . A 16 ASN N . 31060 1 162 . 1 . 1 16 16 ASN ND2 N 15 110.661 0.400 . 1 . . . . A 16 ASN ND2 . 31060 1 163 . 1 . 1 17 17 GLY H H 1 8.406 0.020 . 1 . . . . A 17 GLY H . 31060 1 164 . 1 . 1 17 17 GLY HA2 H 1 4.288 0.020 . 2 . . . . A 17 GLY HA2 . 31060 1 165 . 1 . 1 17 17 GLY HA3 H 1 4.325 0.020 . 2 . . . . A 17 GLY HA3 . 31060 1 166 . 1 . 1 17 17 GLY C C 13 174.911 0.400 . 1 . . . . A 17 GLY C . 31060 1 167 . 1 . 1 17 17 GLY CA C 13 45.986 0.400 . 1 . . . . A 17 GLY CA . 31060 1 168 . 1 . 1 17 17 GLY N N 15 106.091 0.400 . 1 . . . . A 17 GLY N . 31060 1 169 . 1 . 1 18 18 THR H H 1 7.691 0.020 . 1 . . . . A 18 THR H . 31060 1 170 . 1 . 1 18 18 THR HA H 1 4.516 0.020 . 1 . . . . A 18 THR HA . 31060 1 171 . 1 . 1 18 18 THR HB H 1 4.467 0.020 . 1 . . . . A 18 THR HB . 31060 1 172 . 1 . 1 18 18 THR C C 13 174.623 0.400 . 1 . . . . A 18 THR C . 31060 1 173 . 1 . 1 18 18 THR CA C 13 61.304 0.400 . 1 . . . . A 18 THR CA . 31060 1 174 . 1 . 1 18 18 THR CB C 13 72.019 0.400 . 1 . . . . A 18 THR CB . 31060 1 175 . 1 . 1 18 18 THR N N 15 112.797 0.400 . 1 . . . . A 18 THR N . 31060 1 176 . 1 . 1 19 19 GLU H H 1 8.329 0.020 . 1 . . . . A 19 GLU H . 31060 1 177 . 1 . 1 19 19 GLU HA H 1 2.661 0.020 . 1 . . . . A 19 GLU HA . 31060 1 178 . 1 . 1 19 19 GLU HB2 H 1 1.296 0.020 . 2 . . . . A 19 GLU HB2 . 31060 1 179 . 1 . 1 19 19 GLU HB3 H 1 0.808 0.020 . 2 . . . . A 19 GLU HB3 . 31060 1 180 . 1 . 1 19 19 GLU HG2 H 1 1.234 0.020 . 2 . . . . A 19 GLU HG2 . 31060 1 181 . 1 . 1 19 19 GLU HG3 H 1 1.471 0.020 . 2 . . . . A 19 GLU HG3 . 31060 1 182 . 1 . 1 19 19 GLU C C 13 177.429 0.400 . 1 . . . . A 19 GLU C . 31060 1 183 . 1 . 1 19 19 GLU CA C 13 59.728 0.400 . 1 . . . . A 19 GLU CA . 31060 1 184 . 1 . 1 19 19 GLU CB C 13 29.196 0.400 . 1 . . . . A 19 GLU CB . 31060 1 185 . 1 . 1 19 19 GLU CG C 13 36.278 0.400 . 1 . . . . A 19 GLU CG . 31060 1 186 . 1 . 1 19 19 GLU N N 15 120.665 0.400 . 1 . . . . A 19 GLU N . 31060 1 187 . 1 . 1 20 20 GLU H H 1 8.081 0.020 . 1 . . . . A 20 GLU H . 31060 1 188 . 1 . 1 20 20 GLU HA H 1 4.035 0.020 . 1 . . . . A 20 GLU HA . 31060 1 189 . 1 . 1 20 20 GLU HB2 H 1 1.883 0.020 . 2 . . . . A 20 GLU HB2 . 31060 1 190 . 1 . 1 20 20 GLU HB3 H 1 1.898 0.020 . 2 . . . . A 20 GLU HB3 . 31060 1 191 . 1 . 1 20 20 GLU HG2 H 1 2.150 0.020 . 2 . . . . A 20 GLU HG2 . 31060 1 192 . 1 . 1 20 20 GLU HG3 H 1 2.257 0.020 . 2 . . . . A 20 GLU HG3 . 31060 1 193 . 1 . 1 20 20 GLU C C 13 176.480 0.400 . 1 . . . . A 20 GLU C . 31060 1 194 . 1 . 1 20 20 GLU CA C 13 57.700 0.400 . 1 . . . . A 20 GLU CA . 31060 1 195 . 1 . 1 20 20 GLU CB C 13 29.458 0.400 . 1 . . . . A 20 GLU CB . 31060 1 196 . 1 . 1 20 20 GLU CG C 13 36.330 0.400 . 1 . . . . A 20 GLU CG . 31060 1 197 . 1 . 1 20 20 GLU N N 15 113.182 0.400 . 1 . . . . A 20 GLU N . 31060 1 198 . 1 . 1 21 21 ALA H H 1 7.318 0.020 . 1 . . . . A 21 ALA H . 31060 1 199 . 1 . 1 21 21 ALA HA H 1 3.523 0.020 . 1 . . . . A 21 ALA HA . 31060 1 200 . 1 . 1 21 21 ALA HB1 H 1 1.223 0.020 . 1 . . . . A 21 ALA HB1 . 31060 1 201 . 1 . 1 21 21 ALA HB2 H 1 1.223 0.020 . 1 . . . . A 21 ALA HB2 . 31060 1 202 . 1 . 1 21 21 ALA HB3 H 1 1.223 0.020 . 1 . . . . A 21 ALA HB3 . 31060 1 203 . 1 . 1 21 21 ALA CA C 13 49.942 0.400 . 1 . . . . A 21 ALA CA . 31060 1 204 . 1 . 1 21 21 ALA CB C 13 18.315 0.400 . 1 . . . . A 21 ALA CB . 31060 1 205 . 1 . 1 21 21 ALA N N 15 122.568 0.400 . 1 . . . . A 21 ALA N . 31060 1 206 . 1 . 1 22 22 PRO HA H 1 4.472 0.020 . 1 . . . . A 22 PRO HA . 31060 1 207 . 1 . 1 22 22 PRO HB2 H 1 1.984 0.020 . 2 . . . . A 22 PRO HB2 . 31060 1 208 . 1 . 1 22 22 PRO HB3 H 1 2.171 0.020 . 2 . . . . A 22 PRO HB3 . 31060 1 209 . 1 . 1 22 22 PRO HG2 H 1 1.947 0.020 . 2 . . . . A 22 PRO HG2 . 31060 1 210 . 1 . 1 22 22 PRO HD2 H 1 3.713 0.020 . 2 . . . . A 22 PRO HD2 . 31060 1 211 . 1 . 1 22 22 PRO HD3 H 1 3.594 0.020 . 2 . . . . A 22 PRO HD3 . 31060 1 212 . 1 . 1 22 22 PRO C C 13 180.142 0.400 . 1 . . . . A 22 PRO C . 31060 1 213 . 1 . 1 22 22 PRO CA C 13 63.763 0.400 . 1 . . . . A 22 PRO CA . 31060 1 214 . 1 . 1 22 22 PRO CB C 13 32.054 0.400 . 1 . . . . A 22 PRO CB . 31060 1 215 . 1 . 1 22 22 PRO CG C 13 27.469 0.400 . 1 . . . . A 22 PRO CG . 31060 1 216 . 1 . 1 22 22 PRO CD C 13 50.419 0.400 . 1 . . . . A 22 PRO CD . 31060 1 217 . 1 . 1 23 23 LEU H H 1 7.914 0.020 . 1 . . . . A 23 LEU H . 31060 1 218 . 1 . 1 23 23 LEU HA H 1 4.731 0.020 . 1 . . . . A 23 LEU HA . 31060 1 219 . 1 . 1 23 23 LEU HB2 H 1 1.397 0.020 . 2 . . . . A 23 LEU HB2 . 31060 1 220 . 1 . 1 23 23 LEU HB3 H 1 1.836 0.020 . 2 . . . . A 23 LEU HB3 . 31060 1 221 . 1 . 1 23 23 LEU HD11 H 1 0.643 0.020 . 2 . . . . A 23 LEU HD11 . 31060 1 222 . 1 . 1 23 23 LEU HD12 H 1 0.643 0.020 . 2 . . . . A 23 LEU HD12 . 31060 1 223 . 1 . 1 23 23 LEU HD13 H 1 0.643 0.020 . 2 . . . . A 23 LEU HD13 . 31060 1 224 . 1 . 1 23 23 LEU HD21 H 1 0.741 0.020 . 2 . . . . A 23 LEU HD21 . 31060 1 225 . 1 . 1 23 23 LEU HD22 H 1 0.741 0.020 . 2 . . . . A 23 LEU HD22 . 31060 1 226 . 1 . 1 23 23 LEU HD23 H 1 0.741 0.020 . 2 . . . . A 23 LEU HD23 . 31060 1 227 . 1 . 1 23 23 LEU C C 13 175.288 0.400 . 1 . . . . A 23 LEU C . 31060 1 228 . 1 . 1 23 23 LEU CA C 13 54.726 0.400 . 1 . . . . A 23 LEU CA . 31060 1 229 . 1 . 1 23 23 LEU CB C 13 41.776 0.400 . 1 . . . . A 23 LEU CB . 31060 1 230 . 1 . 1 23 23 LEU CD1 C 13 23.576 0.400 . 2 . . . . A 23 LEU CD1 . 31060 1 231 . 1 . 1 23 23 LEU CD2 C 13 23.811 0.400 . 2 . . . . A 23 LEU CD2 . 31060 1 232 . 1 . 1 23 23 LEU N N 15 119.010 0.400 . 1 . . . . A 23 LEU N . 31060 1 233 . 1 . 1 24 24 LYS H H 1 9.021 0.020 . 1 . . . . A 24 LYS H . 31060 1 234 . 1 . 1 24 24 LYS HA H 1 4.640 0.020 . 1 . . . . A 24 LYS HA . 31060 1 235 . 1 . 1 24 24 LYS HB2 H 1 1.250 0.020 . 2 . . . . A 24 LYS HB2 . 31060 1 236 . 1 . 1 24 24 LYS HB3 H 1 1.772 0.020 . 2 . . . . A 24 LYS HB3 . 31060 1 237 . 1 . 1 24 24 LYS HG2 H 1 1.561 0.020 . 2 . . . . A 24 LYS HG2 . 31060 1 238 . 1 . 1 24 24 LYS C C 13 176.834 0.400 . 1 . . . . A 24 LYS C . 31060 1 239 . 1 . 1 24 24 LYS CA C 13 58.220 0.400 . 1 . . . . A 24 LYS CA . 31060 1 240 . 1 . 1 24 24 LYS CB C 13 35.526 0.400 . 1 . . . . A 24 LYS CB . 31060 1 241 . 1 . 1 24 24 LYS CG C 13 26.479 0.400 . 1 . . . . A 24 LYS CG . 31060 1 242 . 1 . 1 24 24 LYS N N 15 123.268 0.400 . 1 . . . . A 24 LYS N . 31060 1 243 . 1 . 1 25 25 THR H H 1 9.407 0.020 . 1 . . . . A 25 THR H . 31060 1 244 . 1 . 1 25 25 THR HA H 1 4.750 0.020 . 1 . . . . A 25 THR HA . 31060 1 245 . 1 . 1 25 25 THR HB H 1 4.487 0.020 . 1 . . . . A 25 THR HB . 31060 1 246 . 1 . 1 25 25 THR HG21 H 1 1.263 0.020 . 1 . . . . A 25 THR HG21 . 31060 1 247 . 1 . 1 25 25 THR HG22 H 1 1.263 0.020 . 1 . . . . A 25 THR HG22 . 31060 1 248 . 1 . 1 25 25 THR HG23 H 1 1.263 0.020 . 1 . . . . A 25 THR HG23 . 31060 1 249 . 1 . 1 25 25 THR C C 13 174.575 0.400 . 1 . . . . A 25 THR C . 31060 1 250 . 1 . 1 25 25 THR CA C 13 59.646 0.400 . 1 . . . . A 25 THR CA . 31060 1 251 . 1 . 1 25 25 THR CB C 13 73.236 0.400 . 1 . . . . A 25 THR CB . 31060 1 252 . 1 . 1 25 25 THR CG2 C 13 21.198 0.400 . 1 . . . . A 25 THR CG2 . 31060 1 253 . 1 . 1 25 25 THR N N 15 108.478 0.400 . 1 . . . . A 25 THR N . 31060 1 254 . 1 . 1 26 26 VAL H H 1 8.211 0.020 . 1 . . . . A 26 VAL H . 31060 1 255 . 1 . 1 26 26 VAL HA H 1 3.401 0.020 . 1 . . . . A 26 VAL HA . 31060 1 256 . 1 . 1 26 26 VAL HB H 1 1.863 0.020 . 1 . . . . A 26 VAL HB . 31060 1 257 . 1 . 1 26 26 VAL HG11 H 1 0.872 0.020 . 2 . . . . A 26 VAL HG11 . 31060 1 258 . 1 . 1 26 26 VAL HG12 H 1 0.872 0.020 . 2 . . . . A 26 VAL HG12 . 31060 1 259 . 1 . 1 26 26 VAL HG13 H 1 0.872 0.020 . 2 . . . . A 26 VAL HG13 . 31060 1 260 . 1 . 1 26 26 VAL HG21 H 1 0.688 0.020 . 2 . . . . A 26 VAL HG21 . 31060 1 261 . 1 . 1 26 26 VAL HG22 H 1 0.688 0.020 . 2 . . . . A 26 VAL HG22 . 31060 1 262 . 1 . 1 26 26 VAL HG23 H 1 0.688 0.020 . 2 . . . . A 26 VAL HG23 . 31060 1 263 . 1 . 1 26 26 VAL C C 13 178.264 0.400 . 1 . . . . A 26 VAL C . 31060 1 264 . 1 . 1 26 26 VAL CA C 13 66.163 0.400 . 1 . . . . A 26 VAL CA . 31060 1 265 . 1 . 1 26 26 VAL CB C 13 31.379 0.400 . 1 . . . . A 26 VAL CB . 31060 1 266 . 1 . 1 26 26 VAL CG1 C 13 23.926 0.400 . 2 . . . . A 26 VAL CG1 . 31060 1 267 . 1 . 1 26 26 VAL CG2 C 13 21.901 0.400 . 2 . . . . A 26 VAL CG2 . 31060 1 268 . 1 . 1 26 26 VAL N N 15 121.135 0.400 . 1 . . . . A 26 VAL N . 31060 1 269 . 1 . 1 27 27 LEU H H 1 8.340 0.020 . 1 . . . . A 27 LEU H . 31060 1 270 . 1 . 1 27 27 LEU HA H 1 3.885 0.020 . 1 . . . . A 27 LEU HA . 31060 1 271 . 1 . 1 27 27 LEU HB2 H 1 1.816 0.020 . 2 . . . . A 27 LEU HB2 . 31060 1 272 . 1 . 1 27 27 LEU HB3 H 1 1.500 0.020 . 2 . . . . A 27 LEU HB3 . 31060 1 273 . 1 . 1 27 27 LEU HD11 H 1 0.941 0.020 . 2 . . . . A 27 LEU HD11 . 31060 1 274 . 1 . 1 27 27 LEU HD12 H 1 0.941 0.020 . 2 . . . . A 27 LEU HD12 . 31060 1 275 . 1 . 1 27 27 LEU HD13 H 1 0.941 0.020 . 2 . . . . A 27 LEU HD13 . 31060 1 276 . 1 . 1 27 27 LEU C C 13 177.401 0.400 . 1 . . . . A 27 LEU C . 31060 1 277 . 1 . 1 27 27 LEU CA C 13 58.798 0.400 . 1 . . . . A 27 LEU CA . 31060 1 278 . 1 . 1 27 27 LEU CB C 13 41.566 0.400 . 1 . . . . A 27 LEU CB . 31060 1 279 . 1 . 1 27 27 LEU CG C 13 27.096 0.400 . 1 . . . . A 27 LEU CG . 31060 1 280 . 1 . 1 27 27 LEU CD1 C 13 23.404 0.400 . 2 . . . . A 27 LEU CD1 . 31060 1 281 . 1 . 1 27 27 LEU N N 15 119.330 0.400 . 1 . . . . A 27 LEU N . 31060 1 282 . 1 . 1 28 28 GLN H H 1 7.729 0.020 . 1 . . . . A 28 GLN H . 31060 1 283 . 1 . 1 28 28 GLN HA H 1 3.861 0.020 . 1 . . . . A 28 GLN HA . 31060 1 284 . 1 . 1 28 28 GLN HB2 H 1 2.069 0.020 . 2 . . . . A 28 GLN HB2 . 31060 1 285 . 1 . 1 28 28 GLN HB3 H 1 1.952 0.020 . 2 . . . . A 28 GLN HB3 . 31060 1 286 . 1 . 1 28 28 GLN HG2 H 1 2.330 0.020 . 2 . . . . A 28 GLN HG2 . 31060 1 287 . 1 . 1 28 28 GLN HE21 H 1 6.901 0.020 . 2 . . . . A 28 GLN HE21 . 31060 1 288 . 1 . 1 28 28 GLN HE22 H 1 7.374 0.020 . 2 . . . . A 28 GLN HE22 . 31060 1 289 . 1 . 1 28 28 GLN C C 13 178.050 0.400 . 1 . . . . A 28 GLN C . 31060 1 290 . 1 . 1 28 28 GLN CA C 13 57.771 0.400 . 1 . . . . A 28 GLN CA . 31060 1 291 . 1 . 1 28 28 GLN CB C 13 26.731 0.400 . 1 . . . . A 28 GLN CB . 31060 1 292 . 1 . 1 28 28 GLN CG C 13 33.718 0.400 . 1 . . . . A 28 GLN CG . 31060 1 293 . 1 . 1 28 28 GLN N N 15 117.013 0.400 . 1 . . . . A 28 GLN N . 31060 1 294 . 1 . 1 28 28 GLN NE2 N 15 111.486 0.400 . 1 . . . . A 28 GLN NE2 . 31060 1 295 . 1 . 1 29 29 ALA H H 1 7.434 0.020 . 1 . . . . A 29 ALA H . 31060 1 296 . 1 . 1 29 29 ALA HA H 1 3.634 0.020 . 1 . . . . A 29 ALA HA . 31060 1 297 . 1 . 1 29 29 ALA HB1 H 1 1.281 0.020 . 1 . . . . A 29 ALA HB1 . 31060 1 298 . 1 . 1 29 29 ALA HB2 H 1 1.281 0.020 . 1 . . . . A 29 ALA HB2 . 31060 1 299 . 1 . 1 29 29 ALA HB3 H 1 1.281 0.020 . 1 . . . . A 29 ALA HB3 . 31060 1 300 . 1 . 1 29 29 ALA C C 13 177.738 0.400 . 1 . . . . A 29 ALA C . 31060 1 301 . 1 . 1 29 29 ALA CA C 13 55.405 0.400 . 1 . . . . A 29 ALA CA . 31060 1 302 . 1 . 1 29 29 ALA CB C 13 18.171 0.400 . 1 . . . . A 29 ALA CB . 31060 1 303 . 1 . 1 29 29 ALA N N 15 121.528 0.400 . 1 . . . . A 29 ALA N . 31060 1 304 . 1 . 1 30 30 ILE H H 1 7.689 0.020 . 1 . . . . A 30 ILE H . 31060 1 305 . 1 . 1 30 30 ILE HA H 1 3.109 0.020 . 1 . . . . A 30 ILE HA . 31060 1 306 . 1 . 1 30 30 ILE HB H 1 1.879 0.020 . 1 . . . . A 30 ILE HB . 31060 1 307 . 1 . 1 30 30 ILE HG12 H 1 1.332 0.020 . 2 . . . . A 30 ILE HG12 . 31060 1 308 . 1 . 1 30 30 ILE HG21 H 1 0.066 0.020 . 1 . . . . A 30 ILE HG21 . 31060 1 309 . 1 . 1 30 30 ILE HG22 H 1 0.066 0.020 . 1 . . . . A 30 ILE HG22 . 31060 1 310 . 1 . 1 30 30 ILE HG23 H 1 0.066 0.020 . 1 . . . . A 30 ILE HG23 . 31060 1 311 . 1 . 1 30 30 ILE HD11 H 1 0.463 0.020 . 1 . . . . A 30 ILE HD11 . 31060 1 312 . 1 . 1 30 30 ILE HD12 H 1 0.463 0.020 . 1 . . . . A 30 ILE HD12 . 31060 1 313 . 1 . 1 30 30 ILE HD13 H 1 0.463 0.020 . 1 . . . . A 30 ILE HD13 . 31060 1 314 . 1 . 1 30 30 ILE C C 13 178.588 0.400 . 1 . . . . A 30 ILE C . 31060 1 315 . 1 . 1 30 30 ILE CA C 13 64.579 0.400 . 1 . . . . A 30 ILE CA . 31060 1 316 . 1 . 1 30 30 ILE CB C 13 35.986 0.400 . 1 . . . . A 30 ILE CB . 31060 1 317 . 1 . 1 30 30 ILE CG1 C 13 27.847 0.400 . 1 . . . . A 30 ILE CG1 . 31060 1 318 . 1 . 1 30 30 ILE CG2 C 13 18.085 0.400 . 1 . . . . A 30 ILE CG2 . 31060 1 319 . 1 . 1 30 30 ILE CD1 C 13 12.600 0.400 . 1 . . . . A 30 ILE CD1 . 31060 1 320 . 1 . 1 30 30 ILE N N 15 116.745 0.400 . 1 . . . . A 30 ILE N . 31060 1 321 . 1 . 1 31 31 VAL H H 1 8.155 0.020 . 1 . . . . A 31 VAL H . 31060 1 322 . 1 . 1 31 31 VAL HA H 1 3.445 0.020 . 1 . . . . A 31 VAL HA . 31060 1 323 . 1 . 1 31 31 VAL HB H 1 2.248 0.020 . 1 . . . . A 31 VAL HB . 31060 1 324 . 1 . 1 31 31 VAL HG11 H 1 0.922 0.020 . 2 . . . . A 31 VAL HG11 . 31060 1 325 . 1 . 1 31 31 VAL HG12 H 1 0.922 0.020 . 2 . . . . A 31 VAL HG12 . 31060 1 326 . 1 . 1 31 31 VAL HG13 H 1 0.922 0.020 . 2 . . . . A 31 VAL HG13 . 31060 1 327 . 1 . 1 31 31 VAL HG21 H 1 1.047 0.020 . 2 . . . . A 31 VAL HG21 . 31060 1 328 . 1 . 1 31 31 VAL HG22 H 1 1.047 0.020 . 2 . . . . A 31 VAL HG22 . 31060 1 329 . 1 . 1 31 31 VAL HG23 H 1 1.047 0.020 . 2 . . . . A 31 VAL HG23 . 31060 1 330 . 1 . 1 31 31 VAL C C 13 180.898 0.400 . 1 . . . . A 31 VAL C . 31060 1 331 . 1 . 1 31 31 VAL CA C 13 66.529 0.400 . 1 . . . . A 31 VAL CA . 31060 1 332 . 1 . 1 31 31 VAL CB C 13 31.337 0.400 . 1 . . . . A 31 VAL CB . 31060 1 333 . 1 . 1 31 31 VAL CG1 C 13 21.101 0.400 . 2 . . . . A 31 VAL CG1 . 31060 1 334 . 1 . 1 31 31 VAL CG2 C 13 22.333 0.400 . 2 . . . . A 31 VAL CG2 . 31060 1 335 . 1 . 1 31 31 VAL N N 15 121.467 0.400 . 1 . . . . A 31 VAL N . 31060 1 336 . 1 . 1 32 32 LYS H H 1 8.509 0.020 . 1 . . . . A 32 LYS H . 31060 1 337 . 1 . 1 32 32 LYS HA H 1 3.961 0.020 . 1 . . . . A 32 LYS HA . 31060 1 338 . 1 . 1 32 32 LYS HB2 H 1 1.932 0.020 . 2 . . . . A 32 LYS HB2 . 31060 1 339 . 1 . 1 32 32 LYS HG2 H 1 1.331 0.020 . 2 . . . . A 32 LYS HG2 . 31060 1 340 . 1 . 1 32 32 LYS HD2 H 1 1.508 0.020 . 2 . . . . A 32 LYS HD2 . 31060 1 341 . 1 . 1 32 32 LYS C C 13 178.026 0.400 . 1 . . . . A 32 LYS C . 31060 1 342 . 1 . 1 32 32 LYS CA C 13 58.788 0.400 . 1 . . . . A 32 LYS CA . 31060 1 343 . 1 . 1 32 32 LYS CB C 13 31.870 0.400 . 1 . . . . A 32 LYS CB . 31060 1 344 . 1 . 1 32 32 LYS CG C 13 25.162 0.400 . 1 . . . . A 32 LYS CG . 31060 1 345 . 1 . 1 32 32 LYS N N 15 123.161 0.400 . 1 . . . . A 32 LYS N . 31060 1 346 . 1 . 1 33 33 LEU H H 1 7.390 0.020 . 1 . . . . A 33 LEU H . 31060 1 347 . 1 . 1 33 33 LEU HA H 1 4.148 0.020 . 1 . . . . A 33 LEU HA . 31060 1 348 . 1 . 1 33 33 LEU HB2 H 1 1.414 0.020 . 2 . . . . A 33 LEU HB2 . 31060 1 349 . 1 . 1 33 33 LEU HB3 H 1 1.821 0.020 . 2 . . . . A 33 LEU HB3 . 31060 1 350 . 1 . 1 33 33 LEU HG H 1 0.521 0.020 . 1 . . . . A 33 LEU HG . 31060 1 351 . 1 . 1 33 33 LEU HD11 H 1 0.762 0.020 . 2 . . . . A 33 LEU HD11 . 31060 1 352 . 1 . 1 33 33 LEU HD12 H 1 0.762 0.020 . 2 . . . . A 33 LEU HD12 . 31060 1 353 . 1 . 1 33 33 LEU HD13 H 1 0.762 0.020 . 2 . . . . A 33 LEU HD13 . 31060 1 354 . 1 . 1 33 33 LEU C C 13 177.228 0.400 . 1 . . . . A 33 LEU C . 31060 1 355 . 1 . 1 33 33 LEU CA C 13 54.599 0.400 . 1 . . . . A 33 LEU CA . 31060 1 356 . 1 . 1 33 33 LEU CB C 13 41.447 0.400 . 1 . . . . A 33 LEU CB . 31060 1 357 . 1 . 1 33 33 LEU CG C 13 25.951 0.400 . 1 . . . . A 33 LEU CG . 31060 1 358 . 1 . 1 33 33 LEU CD1 C 13 22.389 0.400 . 2 . . . . A 33 LEU CD1 . 31060 1 359 . 1 . 1 33 33 LEU CD2 C 13 22.389 0.400 . 2 . . . . A 33 LEU CD2 . 31060 1 360 . 1 . 1 33 33 LEU N N 15 117.784 0.400 . 1 . . . . A 33 LEU N . 31060 1 361 . 1 . 1 34 34 ASP H H 1 8.441 0.020 . 1 . . . . A 34 ASP H . 31060 1 362 . 1 . 1 34 34 ASP HA H 1 4.290 0.020 . 1 . . . . A 34 ASP HA . 31060 1 363 . 1 . 1 34 34 ASP HB2 H 1 3.034 0.020 . 2 . . . . A 34 ASP HB2 . 31060 1 364 . 1 . 1 34 34 ASP HB3 H 1 2.515 0.020 . 2 . . . . A 34 ASP HB3 . 31060 1 365 . 1 . 1 34 34 ASP C C 13 176.219 0.400 . 1 . . . . A 34 ASP C . 31060 1 366 . 1 . 1 34 34 ASP CA C 13 55.242 0.400 . 1 . . . . A 34 ASP CA . 31060 1 367 . 1 . 1 34 34 ASP CB C 13 40.160 0.400 . 1 . . . . A 34 ASP CB . 31060 1 368 . 1 . 1 34 34 ASP N N 15 122.068 0.400 . 1 . . . . A 34 ASP N . 31060 1 369 . 1 . 1 35 35 GLY H H 1 8.019 0.020 . 1 . . . . A 35 GLY H . 31060 1 370 . 1 . 1 35 35 GLY HA2 H 1 3.783 0.020 . 2 . . . . A 35 GLY HA2 . 31060 1 371 . 1 . 1 35 35 GLY HA3 H 1 2.713 0.020 . 2 . . . . A 35 GLY HA3 . 31060 1 372 . 1 . 1 35 35 GLY C C 13 173.294 0.400 . 1 . . . . A 35 GLY C . 31060 1 373 . 1 . 1 35 35 GLY CA C 13 45.979 0.400 . 1 . . . . A 35 GLY CA . 31060 1 374 . 1 . 1 35 35 GLY N N 15 100.293 0.400 . 1 . . . . A 35 GLY N . 31060 1 375 . 1 . 1 36 36 LYS H H 1 7.378 0.020 . 1 . . . . A 36 LYS H . 31060 1 376 . 1 . 1 36 36 LYS HA H 1 4.276 0.020 . 1 . . . . A 36 LYS HA . 31060 1 377 . 1 . 1 36 36 LYS HB2 H 1 1.741 0.020 . 2 . . . . A 36 LYS HB2 . 31060 1 378 . 1 . 1 36 36 LYS HG2 H 1 1.231 0.020 . 2 . . . . A 36 LYS HG2 . 31060 1 379 . 1 . 1 36 36 LYS C C 13 173.682 0.400 . 1 . . . . A 36 LYS C . 31060 1 380 . 1 . 1 36 36 LYS CA C 13 55.738 0.400 . 1 . . . . A 36 LYS CA . 31060 1 381 . 1 . 1 36 36 LYS CB C 13 31.675 0.400 . 1 . . . . A 36 LYS CB . 31060 1 382 . 1 . 1 36 36 LYS CG C 13 24.393 0.400 . 1 . . . . A 36 LYS CG . 31060 1 383 . 1 . 1 36 36 LYS N N 15 122.692 0.400 . 1 . . . . A 36 LYS N . 31060 1 384 . 1 . 1 37 37 ILE H H 1 8.000 0.020 . 1 . . . . A 37 ILE H . 31060 1 385 . 1 . 1 37 37 ILE HA H 1 3.976 0.020 . 1 . . . . A 37 ILE HA . 31060 1 386 . 1 . 1 37 37 ILE HB H 1 1.762 0.020 . 1 . . . . A 37 ILE HB . 31060 1 387 . 1 . 1 37 37 ILE HG12 H 1 1.156 0.020 . 2 . . . . A 37 ILE HG12 . 31060 1 388 . 1 . 1 37 37 ILE HG13 H 1 0.910 0.020 . 2 . . . . A 37 ILE HG13 . 31060 1 389 . 1 . 1 37 37 ILE HG21 H 1 0.672 0.020 . 1 . . . . A 37 ILE HG21 . 31060 1 390 . 1 . 1 37 37 ILE HG22 H 1 0.672 0.020 . 1 . . . . A 37 ILE HG22 . 31060 1 391 . 1 . 1 37 37 ILE HG23 H 1 0.672 0.020 . 1 . . . . A 37 ILE HG23 . 31060 1 392 . 1 . 1 37 37 ILE HD11 H 1 0.513 0.020 . 1 . . . . A 37 ILE HD11 . 31060 1 393 . 1 . 1 37 37 ILE HD12 H 1 0.513 0.020 . 1 . . . . A 37 ILE HD12 . 31060 1 394 . 1 . 1 37 37 ILE HD13 H 1 0.513 0.020 . 1 . . . . A 37 ILE HD13 . 31060 1 395 . 1 . 1 37 37 ILE C C 13 175.912 0.400 . 1 . . . . A 37 ILE C . 31060 1 396 . 1 . 1 37 37 ILE CA C 13 59.906 0.400 . 1 . . . . A 37 ILE CA . 31060 1 397 . 1 . 1 37 37 ILE CB C 13 37.130 0.400 . 1 . . . . A 37 ILE CB . 31060 1 398 . 1 . 1 37 37 ILE CG1 C 13 26.915 0.400 . 1 . . . . A 37 ILE CG1 . 31060 1 399 . 1 . 1 37 37 ILE CG2 C 13 17.952 0.400 . 1 . . . . A 37 ILE CG2 . 31060 1 400 . 1 . 1 37 37 ILE CD1 C 13 12.545 0.400 . 1 . . . . A 37 ILE CD1 . 31060 1 401 . 1 . 1 37 37 ILE N N 15 125.297 0.400 . 1 . . . . A 37 ILE N . 31060 1 402 . 1 . 1 38 38 GLU H H 1 8.562 0.020 . 1 . . . . A 38 GLU H . 31060 1 403 . 1 . 1 38 38 GLU HA H 1 4.544 0.020 . 1 . . . . A 38 GLU HA . 31060 1 404 . 1 . 1 38 38 GLU HB2 H 1 2.343 0.020 . 2 . . . . A 38 GLU HB2 . 31060 1 405 . 1 . 1 38 38 GLU HB3 H 1 2.004 0.020 . 2 . . . . A 38 GLU HB3 . 31060 1 406 . 1 . 1 38 38 GLU HG2 H 1 2.186 0.020 . 2 . . . . A 38 GLU HG2 . 31060 1 407 . 1 . 1 38 38 GLU C C 13 177.561 0.400 . 1 . . . . A 38 GLU C . 31060 1 408 . 1 . 1 38 38 GLU CA C 13 54.838 0.400 . 1 . . . . A 38 GLU CA . 31060 1 409 . 1 . 1 38 38 GLU CB C 13 31.937 0.400 . 1 . . . . A 38 GLU CB . 31060 1 410 . 1 . 1 38 38 GLU CG C 13 36.367 0.400 . 1 . . . . A 38 GLU CG . 31060 1 411 . 1 . 1 38 38 GLU N N 15 126.622 0.400 . 1 . . . . A 38 GLU N . 31060 1 412 . 1 . 1 39 39 ALA H H 1 8.886 0.020 . 1 . . . . A 39 ALA H . 31060 1 413 . 1 . 1 39 39 ALA HA H 1 3.969 0.020 . 1 . . . . A 39 ALA HA . 31060 1 414 . 1 . 1 39 39 ALA HB1 H 1 1.347 0.020 . 1 . . . . A 39 ALA HB1 . 31060 1 415 . 1 . 1 39 39 ALA HB2 H 1 1.347 0.020 . 1 . . . . A 39 ALA HB2 . 31060 1 416 . 1 . 1 39 39 ALA HB3 H 1 1.347 0.020 . 1 . . . . A 39 ALA HB3 . 31060 1 417 . 1 . 1 39 39 ALA C C 13 178.260 0.400 . 1 . . . . A 39 ALA C . 31060 1 418 . 1 . 1 39 39 ALA CA C 13 55.093 0.400 . 1 . . . . A 39 ALA CA . 31060 1 419 . 1 . 1 39 39 ALA CB C 13 18.260 0.400 . 1 . . . . A 39 ALA CB . 31060 1 420 . 1 . 1 39 39 ALA N N 15 123.387 0.400 . 1 . . . . A 39 ALA N . 31060 1 421 . 1 . 1 40 40 ASP H H 1 8.107 0.020 . 1 . . . . A 40 ASP H . 31060 1 422 . 1 . 1 40 40 ASP HA H 1 4.463 0.020 . 1 . . . . A 40 ASP HA . 31060 1 423 . 1 . 1 40 40 ASP HB2 H 1 2.729 0.020 . 2 . . . . A 40 ASP HB2 . 31060 1 424 . 1 . 1 40 40 ASP HB3 H 1 2.496 0.020 . 2 . . . . A 40 ASP HB3 . 31060 1 425 . 1 . 1 40 40 ASP C C 13 176.428 0.400 . 1 . . . . A 40 ASP C . 31060 1 426 . 1 . 1 40 40 ASP CA C 13 52.868 0.400 . 1 . . . . A 40 ASP CA . 31060 1 427 . 1 . 1 40 40 ASP CB C 13 39.986 0.400 . 1 . . . . A 40 ASP CB . 31060 1 428 . 1 . 1 40 40 ASP N N 15 112.278 0.400 . 1 . . . . A 40 ASP N . 31060 1 429 . 1 . 1 41 41 THR H H 1 7.645 0.020 . 1 . . . . A 41 THR H . 31060 1 430 . 1 . 1 41 41 THR HA H 1 4.336 0.020 . 1 . . . . A 41 THR HA . 31060 1 431 . 1 . 1 41 41 THR HB H 1 3.965 0.020 . 1 . . . . A 41 THR HB . 31060 1 432 . 1 . 1 41 41 THR HG21 H 1 0.978 0.020 . 1 . . . . A 41 THR HG21 . 31060 1 433 . 1 . 1 41 41 THR HG22 H 1 0.978 0.020 . 1 . . . . A 41 THR HG22 . 31060 1 434 . 1 . 1 41 41 THR HG23 H 1 0.978 0.020 . 1 . . . . A 41 THR HG23 . 31060 1 435 . 1 . 1 41 41 THR C C 13 174.107 0.400 . 1 . . . . A 41 THR C . 31060 1 436 . 1 . 1 41 41 THR CA C 13 63.715 0.400 . 1 . . . . A 41 THR CA . 31060 1 437 . 1 . 1 41 41 THR CB C 13 68.562 0.400 . 1 . . . . A 41 THR CB . 31060 1 438 . 1 . 1 41 41 THR CG2 C 13 22.858 0.400 . 1 . . . . A 41 THR CG2 . 31060 1 439 . 1 . 1 41 41 THR N N 15 119.909 0.400 . 1 . . . . A 41 THR N . 31060 1 440 . 1 . 1 42 42 ARG H H 1 8.272 0.020 . 1 . . . . A 42 ARG H . 31060 1 441 . 1 . 1 42 42 ARG HA H 1 4.294 0.020 . 1 . . . . A 42 ARG HA . 31060 1 442 . 1 . 1 42 42 ARG HB2 H 1 1.398 0.020 . 2 . . . . A 42 ARG HB2 . 31060 1 443 . 1 . 1 42 42 ARG HB3 H 1 0.972 0.020 . 2 . . . . A 42 ARG HB3 . 31060 1 444 . 1 . 1 42 42 ARG C C 13 172.848 0.400 . 1 . . . . A 42 ARG C . 31060 1 445 . 1 . 1 42 42 ARG CA C 13 54.443 0.400 . 1 . . . . A 42 ARG CA . 31060 1 446 . 1 . 1 42 42 ARG CB C 13 32.185 0.400 . 1 . . . . A 42 ARG CB . 31060 1 447 . 1 . 1 42 42 ARG CG C 13 26.214 0.400 . 1 . . . . A 42 ARG CG . 31060 1 448 . 1 . 1 42 42 ARG N N 15 129.002 0.400 . 1 . . . . A 42 ARG N . 31060 1 449 . 1 . 1 43 43 ILE H H 1 7.955 0.020 . 1 . . . . A 43 ILE H . 31060 1 450 . 1 . 1 43 43 ILE HA H 1 4.499 0.020 . 1 . . . . A 43 ILE HA . 31060 1 451 . 1 . 1 43 43 ILE HB H 1 1.384 0.020 . 1 . . . . A 43 ILE HB . 31060 1 452 . 1 . 1 43 43 ILE HG12 H 1 1.205 0.020 . 2 . . . . A 43 ILE HG12 . 31060 1 453 . 1 . 1 43 43 ILE HG13 H 1 0.477 0.020 . 2 . . . . A 43 ILE HG13 . 31060 1 454 . 1 . 1 43 43 ILE HG21 H 1 0.590 0.020 . 1 . . . . A 43 ILE HG21 . 31060 1 455 . 1 . 1 43 43 ILE HG22 H 1 0.590 0.020 . 1 . . . . A 43 ILE HG22 . 31060 1 456 . 1 . 1 43 43 ILE HG23 H 1 0.590 0.020 . 1 . . . . A 43 ILE HG23 . 31060 1 457 . 1 . 1 43 43 ILE HD11 H 1 0.469 0.020 . 1 . . . . A 43 ILE HD11 . 31060 1 458 . 1 . 1 43 43 ILE HD12 H 1 0.469 0.020 . 1 . . . . A 43 ILE HD12 . 31060 1 459 . 1 . 1 43 43 ILE HD13 H 1 0.469 0.020 . 1 . . . . A 43 ILE HD13 . 31060 1 460 . 1 . 1 43 43 ILE C C 13 173.705 0.400 . 1 . . . . A 43 ILE C . 31060 1 461 . 1 . 1 43 43 ILE CA C 13 59.868 0.400 . 1 . . . . A 43 ILE CA . 31060 1 462 . 1 . 1 43 43 ILE CB C 13 39.283 0.400 . 1 . . . . A 43 ILE CB . 31060 1 463 . 1 . 1 43 43 ILE CG1 C 13 27.857 0.400 . 1 . . . . A 43 ILE CG1 . 31060 1 464 . 1 . 1 43 43 ILE CG2 C 13 17.998 0.400 . 1 . . . . A 43 ILE CG2 . 31060 1 465 . 1 . 1 43 43 ILE CD1 C 13 13.731 0.400 . 1 . . . . A 43 ILE CD1 . 31060 1 466 . 1 . 1 43 43 ILE N N 15 125.320 0.400 . 1 . . . . A 43 ILE N . 31060 1 467 . 1 . 1 44 44 TRP H H 1 8.611 0.020 . 1 . . . . A 44 TRP H . 31060 1 468 . 1 . 1 44 44 TRP HA H 1 5.180 0.020 . 1 . . . . A 44 TRP HA . 31060 1 469 . 1 . 1 44 44 TRP HB2 H 1 3.243 0.020 . 2 . . . . A 44 TRP HB2 . 31060 1 470 . 1 . 1 44 44 TRP HB3 H 1 2.215 0.020 . 2 . . . . A 44 TRP HB3 . 31060 1 471 . 1 . 1 44 44 TRP HD1 H 1 5.103 0.020 . 1 . . . . A 44 TRP HD1 . 31060 1 472 . 1 . 1 44 44 TRP HE1 H 1 9.654 0.020 . 1 . . . . A 44 TRP HE1 . 31060 1 473 . 1 . 1 44 44 TRP HE3 H 1 7.325 0.020 . 1 . . . . A 44 TRP HE3 . 31060 1 474 . 1 . 1 44 44 TRP HZ2 H 1 7.216 0.020 . 1 . . . . A 44 TRP HZ2 . 31060 1 475 . 1 . 1 44 44 TRP HZ3 H 1 7.041 0.020 . 1 . . . . A 44 TRP HZ3 . 31060 1 476 . 1 . 1 44 44 TRP C C 13 176.591 0.400 . 1 . . . . A 44 TRP C . 31060 1 477 . 1 . 1 44 44 TRP CA C 13 55.354 0.400 . 1 . . . . A 44 TRP CA . 31060 1 478 . 1 . 1 44 44 TRP CB C 13 32.754 0.400 . 1 . . . . A 44 TRP CB . 31060 1 479 . 1 . 1 44 44 TRP CD1 C 13 127.263 0.400 . 1 . . . . A 44 TRP CD1 . 31060 1 480 . 1 . 1 44 44 TRP CE3 C 13 121.360 0.400 . 1 . . . . A 44 TRP CE3 . 31060 1 481 . 1 . 1 44 44 TRP CZ2 C 13 113.669 0.400 . 1 . . . . A 44 TRP CZ2 . 31060 1 482 . 1 . 1 44 44 TRP CZ3 C 13 123.214 0.400 . 1 . . . . A 44 TRP CZ3 . 31060 1 483 . 1 . 1 44 44 TRP N N 15 127.959 0.400 . 1 . . . . A 44 TRP N . 31060 1 484 . 1 . 1 44 44 TRP NE1 N 15 128.438 0.400 . 1 . . . . A 44 TRP NE1 . 31060 1 485 . 1 . 1 45 45 VAL H H 1 9.911 0.020 . 1 . . . . A 45 VAL H . 31060 1 486 . 1 . 1 45 45 VAL HA H 1 5.340 0.020 . 1 . . . . A 45 VAL HA . 31060 1 487 . 1 . 1 45 45 VAL HB H 1 2.459 0.020 . 1 . . . . A 45 VAL HB . 31060 1 488 . 1 . 1 45 45 VAL HG11 H 1 0.704 0.020 . 2 . . . . A 45 VAL HG11 . 31060 1 489 . 1 . 1 45 45 VAL HG12 H 1 0.704 0.020 . 2 . . . . A 45 VAL HG12 . 31060 1 490 . 1 . 1 45 45 VAL HG13 H 1 0.704 0.020 . 2 . . . . A 45 VAL HG13 . 31060 1 491 . 1 . 1 45 45 VAL HG21 H 1 0.742 0.020 . 2 . . . . A 45 VAL HG21 . 31060 1 492 . 1 . 1 45 45 VAL HG22 H 1 0.742 0.020 . 2 . . . . A 45 VAL HG22 . 31060 1 493 . 1 . 1 45 45 VAL HG23 H 1 0.742 0.020 . 2 . . . . A 45 VAL HG23 . 31060 1 494 . 1 . 1 45 45 VAL C C 13 176.157 0.400 . 1 . . . . A 45 VAL C . 31060 1 495 . 1 . 1 45 45 VAL CA C 13 59.295 0.400 . 1 . . . . A 45 VAL CA . 31060 1 496 . 1 . 1 45 45 VAL CB C 13 35.857 0.400 . 1 . . . . A 45 VAL CB . 31060 1 497 . 1 . 1 45 45 VAL CG1 C 13 21.660 0.400 . 2 . . . . A 45 VAL CG1 . 31060 1 498 . 1 . 1 45 45 VAL CG2 C 13 18.436 0.400 . 2 . . . . A 45 VAL CG2 . 31060 1 499 . 1 . 1 45 45 VAL N N 15 116.791 0.400 . 1 . . . . A 45 VAL N . 31060 1 500 . 1 . 1 46 46 ASP H H 1 9.175 0.020 . 1 . . . . A 46 ASP H . 31060 1 501 . 1 . 1 46 46 ASP HA H 1 4.589 0.020 . 1 . . . . A 46 ASP HA . 31060 1 502 . 1 . 1 46 46 ASP HB2 H 1 2.716 0.020 . 2 . . . . A 46 ASP HB2 . 31060 1 503 . 1 . 1 46 46 ASP HB3 H 1 2.519 0.020 . 2 . . . . A 46 ASP HB3 . 31060 1 504 . 1 . 1 46 46 ASP C C 13 177.871 0.400 . 1 . . . . A 46 ASP C . 31060 1 505 . 1 . 1 46 46 ASP CA C 13 56.974 0.400 . 1 . . . . A 46 ASP CA . 31060 1 506 . 1 . 1 46 46 ASP CB C 13 41.239 0.400 . 1 . . . . A 46 ASP CB . 31060 1 507 . 1 . 1 46 46 ASP N N 15 119.987 0.400 . 1 . . . . A 46 ASP N . 31060 1 508 . 1 . 1 47 47 GLY H H 1 7.861 0.020 . 1 . . . . A 47 GLY H . 31060 1 509 . 1 . 1 47 47 GLY HA2 H 1 4.060 0.020 . 2 . . . . A 47 GLY HA2 . 31060 1 510 . 1 . 1 47 47 GLY HA3 H 1 3.444 0.020 . 2 . . . . A 47 GLY HA3 . 31060 1 511 . 1 . 1 47 47 GLY C C 13 174.491 0.400 . 1 . . . . A 47 GLY C . 31060 1 512 . 1 . 1 47 47 GLY CA C 13 44.575 0.400 . 1 . . . . A 47 GLY CA . 31060 1 513 . 1 . 1 47 47 GLY N N 15 107.809 0.400 . 1 . . . . A 47 GLY N . 31060 1 514 . 1 . 1 48 48 THR H H 1 8.438 0.020 . 1 . . . . A 48 THR H . 31060 1 515 . 1 . 1 48 48 THR HA H 1 4.447 0.020 . 1 . . . . A 48 THR HA . 31060 1 516 . 1 . 1 48 48 THR HB H 1 4.217 0.020 . 1 . . . . A 48 THR HB . 31060 1 517 . 1 . 1 48 48 THR HG21 H 1 1.179 0.020 . 1 . . . . A 48 THR HG21 . 31060 1 518 . 1 . 1 48 48 THR HG22 H 1 1.179 0.020 . 1 . . . . A 48 THR HG22 . 31060 1 519 . 1 . 1 48 48 THR HG23 H 1 1.179 0.020 . 1 . . . . A 48 THR HG23 . 31060 1 520 . 1 . 1 48 48 THR C C 13 175.348 0.400 . 1 . . . . A 48 THR C . 31060 1 521 . 1 . 1 48 48 THR CA C 13 61.300 0.400 . 1 . . . . A 48 THR CA . 31060 1 522 . 1 . 1 48 48 THR CB C 13 70.522 0.400 . 1 . . . . A 48 THR CB . 31060 1 523 . 1 . 1 48 48 THR CG2 C 13 21.594 0.400 . 1 . . . . A 48 THR CG2 . 31060 1 524 . 1 . 1 48 48 THR N N 15 113.184 0.400 . 1 . . . . A 48 THR N . 31060 1 525 . 1 . 1 49 49 GLY H H 1 8.909 0.020 . 1 . . . . A 49 GLY H . 31060 1 526 . 1 . 1 49 49 GLY HA2 H 1 4.006 0.020 . 2 . . . . A 49 GLY HA2 . 31060 1 527 . 1 . 1 49 49 GLY HA3 H 1 3.738 0.020 . 2 . . . . A 49 GLY HA3 . 31060 1 528 . 1 . 1 49 49 GLY C C 13 174.905 0.400 . 1 . . . . A 49 GLY C . 31060 1 529 . 1 . 1 49 49 GLY CA C 13 46.013 0.400 . 1 . . . . A 49 GLY CA . 31060 1 530 . 1 . 1 49 49 GLY N N 15 114.030 0.400 . 1 . . . . A 49 GLY N . 31060 1 531 . 1 . 1 50 50 ASP H H 1 8.851 0.020 . 1 . . . . A 50 ASP H . 31060 1 532 . 1 . 1 50 50 ASP HA H 1 4.447 0.020 . 1 . . . . A 50 ASP HA . 31060 1 533 . 1 . 1 50 50 ASP HB2 H 1 2.705 0.020 . 2 . . . . A 50 ASP HB2 . 31060 1 534 . 1 . 1 50 50 ASP HB3 H 1 2.491 0.020 . 2 . . . . A 50 ASP HB3 . 31060 1 535 . 1 . 1 50 50 ASP C C 13 176.414 0.400 . 1 . . . . A 50 ASP C . 31060 1 536 . 1 . 1 50 50 ASP CA C 13 55.217 0.400 . 1 . . . . A 50 ASP CA . 31060 1 537 . 1 . 1 50 50 ASP CB C 13 41.218 0.400 . 1 . . . . A 50 ASP CB . 31060 1 538 . 1 . 1 50 50 ASP N N 15 125.219 0.400 . 1 . . . . A 50 ASP N . 31060 1 539 . 1 . 1 51 51 GLU H H 1 7.813 0.020 . 1 . . . . A 51 GLU H . 31060 1 540 . 1 . 1 51 51 GLU HA H 1 4.319 0.020 . 1 . . . . A 51 GLU HA . 31060 1 541 . 1 . 1 51 51 GLU HB2 H 1 2.214 0.020 . 2 . . . . A 51 GLU HB2 . 31060 1 542 . 1 . 1 51 51 GLU HB3 H 1 2.050 0.020 . 2 . . . . A 51 GLU HB3 . 31060 1 543 . 1 . 1 51 51 GLU HG2 H 1 2.440 0.020 . 2 . . . . A 51 GLU HG2 . 31060 1 544 . 1 . 1 51 51 GLU C C 13 176.957 0.400 . 1 . . . . A 51 GLU C . 31060 1 545 . 1 . 1 51 51 GLU CA C 13 55.514 0.400 . 1 . . . . A 51 GLU CA . 31060 1 546 . 1 . 1 51 51 GLU CB C 13 30.389 0.400 . 1 . . . . A 51 GLU CB . 31060 1 547 . 1 . 1 51 51 GLU CG C 13 36.158 0.400 . 1 . . . . A 51 GLU CG . 31060 1 548 . 1 . 1 51 51 GLU N N 15 118.980 0.400 . 1 . . . . A 51 GLU N . 31060 1 549 . 1 . 1 52 52 MET H H 1 8.589 0.020 . 1 . . . . A 52 MET H . 31060 1 550 . 1 . 1 52 52 MET HA H 1 3.740 0.020 . 1 . . . . A 52 MET HA . 31060 1 551 . 1 . 1 52 52 MET HB2 H 1 1.770 0.020 . 2 . . . . A 52 MET HB2 . 31060 1 552 . 1 . 1 52 52 MET HB3 H 1 1.385 0.020 . 2 . . . . A 52 MET HB3 . 31060 1 553 . 1 . 1 52 52 MET HG2 H 1 1.692 0.020 . 2 . . . . A 52 MET HG2 . 31060 1 554 . 1 . 1 52 52 MET HG3 H 1 1.407 0.020 . 2 . . . . A 52 MET HG3 . 31060 1 555 . 1 . 1 52 52 MET C C 13 176.563 0.400 . 1 . . . . A 52 MET C . 31060 1 556 . 1 . 1 52 52 MET CA C 13 58.355 0.400 . 1 . . . . A 52 MET CA . 31060 1 557 . 1 . 1 52 52 MET CB C 13 33.275 0.400 . 1 . . . . A 52 MET CB . 31060 1 558 . 1 . 1 52 52 MET CG C 13 31.324 0.400 . 1 . . . . A 52 MET CG . 31060 1 559 . 1 . 1 52 52 MET N N 15 123.202 0.400 . 1 . . . . A 52 MET N . 31060 1 560 . 1 . 1 53 53 TRP H H 1 7.936 0.020 . 1 . . . . A 53 TRP H . 31060 1 561 . 1 . 1 53 53 TRP HA H 1 5.768 0.020 . 1 . . . . A 53 TRP HA . 31060 1 562 . 1 . 1 53 53 TRP HB2 H 1 3.447 0.020 . 2 . . . . A 53 TRP HB2 . 31060 1 563 . 1 . 1 53 53 TRP HB3 H 1 2.636 0.020 . 2 . . . . A 53 TRP HB3 . 31060 1 564 . 1 . 1 53 53 TRP HD1 H 1 6.871 0.020 . 1 . . . . A 53 TRP HD1 . 31060 1 565 . 1 . 1 53 53 TRP HE1 H 1 10.357 0.020 . 1 . . . . A 53 TRP HE1 . 31060 1 566 . 1 . 1 53 53 TRP HZ2 H 1 7.249 0.020 . 1 . . . . A 53 TRP HZ2 . 31060 1 567 . 1 . 1 53 53 TRP HZ3 H 1 5.326 0.020 . 1 . . . . A 53 TRP HZ3 . 31060 1 568 . 1 . 1 53 53 TRP HH2 H 1 6.938 0.020 . 1 . . . . A 53 TRP HH2 . 31060 1 569 . 1 . 1 53 53 TRP C C 13 175.137 0.400 . 1 . . . . A 53 TRP C . 31060 1 570 . 1 . 1 53 53 TRP CA C 13 54.410 0.400 . 1 . . . . A 53 TRP CA . 31060 1 571 . 1 . 1 53 53 TRP CB C 13 34.814 0.400 . 1 . . . . A 53 TRP CB . 31060 1 572 . 1 . 1 53 53 TRP CD1 C 13 128.791 0.400 . 1 . . . . A 53 TRP CD1 . 31060 1 573 . 1 . 1 53 53 TRP CZ2 C 13 114.994 0.400 . 1 . . . . A 53 TRP CZ2 . 31060 1 574 . 1 . 1 53 53 TRP CZ3 C 13 118.839 0.400 . 1 . . . . A 53 TRP CZ3 . 31060 1 575 . 1 . 1 53 53 TRP CH2 C 13 120.012 0.400 . 1 . . . . A 53 TRP CH2 . 31060 1 576 . 1 . 1 53 53 TRP N N 15 116.978 0.400 . 1 . . . . A 53 TRP N . 31060 1 577 . 1 . 1 53 53 TRP NE1 N 15 130.207 0.400 . 1 . . . . A 53 TRP NE1 . 31060 1 578 . 1 . 1 54 54 ASP H H 1 9.403 0.020 . 1 . . . . A 54 ASP H . 31060 1 579 . 1 . 1 54 54 ASP HA H 1 5.354 0.020 . 1 . . . . A 54 ASP HA . 31060 1 580 . 1 . 1 54 54 ASP HB2 H 1 2.593 0.020 . 2 . . . . A 54 ASP HB2 . 31060 1 581 . 1 . 1 54 54 ASP C C 13 175.323 0.400 . 1 . . . . A 54 ASP C . 31060 1 582 . 1 . 1 54 54 ASP CA C 13 52.297 0.400 . 1 . . . . A 54 ASP CA . 31060 1 583 . 1 . 1 54 54 ASP CB C 13 44.548 0.400 . 1 . . . . A 54 ASP CB . 31060 1 584 . 1 . 1 54 54 ASP N N 15 121.181 0.400 . 1 . . . . A 54 ASP N . 31060 1 585 . 1 . 1 55 55 VAL H H 1 8.873 0.020 . 1 . . . . A 55 VAL H . 31060 1 586 . 1 . 1 55 55 VAL HA H 1 3.764 0.020 . 1 . . . . A 55 VAL HA . 31060 1 587 . 1 . 1 55 55 VAL HB H 1 1.613 0.020 . 1 . . . . A 55 VAL HB . 31060 1 588 . 1 . 1 55 55 VAL HG11 H 1 0.615 0.020 . 2 . . . . A 55 VAL HG11 . 31060 1 589 . 1 . 1 55 55 VAL HG12 H 1 0.615 0.020 . 2 . . . . A 55 VAL HG12 . 31060 1 590 . 1 . 1 55 55 VAL HG13 H 1 0.615 0.020 . 2 . . . . A 55 VAL HG13 . 31060 1 591 . 1 . 1 55 55 VAL HG21 H 1 0.350 0.020 . 2 . . . . A 55 VAL HG21 . 31060 1 592 . 1 . 1 55 55 VAL HG22 H 1 0.350 0.020 . 2 . . . . A 55 VAL HG22 . 31060 1 593 . 1 . 1 55 55 VAL HG23 H 1 0.350 0.020 . 2 . . . . A 55 VAL HG23 . 31060 1 594 . 1 . 1 55 55 VAL C C 13 176.882 0.400 . 1 . . . . A 55 VAL C . 31060 1 595 . 1 . 1 55 55 VAL CA C 13 62.698 0.400 . 1 . . . . A 55 VAL CA . 31060 1 596 . 1 . 1 55 55 VAL CB C 13 32.005 0.400 . 1 . . . . A 55 VAL CB . 31060 1 597 . 1 . 1 55 55 VAL CG1 C 13 21.270 0.400 . 2 . . . . A 55 VAL CG1 . 31060 1 598 . 1 . 1 55 55 VAL CG2 C 13 21.791 0.400 . 2 . . . . A 55 VAL CG2 . 31060 1 599 . 1 . 1 55 55 VAL N N 15 122.574 0.400 . 1 . . . . A 55 VAL N . 31060 1 600 . 1 . 1 56 56 VAL H H 1 8.299 0.020 . 1 . . . . A 56 VAL H . 31060 1 601 . 1 . 1 56 56 VAL HA H 1 3.820 0.020 . 1 . . . . A 56 VAL HA . 31060 1 602 . 1 . 1 56 56 VAL HB H 1 1.792 0.020 . 1 . . . . A 56 VAL HB . 31060 1 603 . 1 . 1 56 56 VAL HG11 H 1 1.084 0.020 . 2 . . . . A 56 VAL HG11 . 31060 1 604 . 1 . 1 56 56 VAL HG12 H 1 1.084 0.020 . 2 . . . . A 56 VAL HG12 . 31060 1 605 . 1 . 1 56 56 VAL HG13 H 1 1.084 0.020 . 2 . . . . A 56 VAL HG13 . 31060 1 606 . 1 . 1 56 56 VAL HG21 H 1 0.787 0.020 . 2 . . . . A 56 VAL HG21 . 31060 1 607 . 1 . 1 56 56 VAL HG22 H 1 0.787 0.020 . 2 . . . . A 56 VAL HG22 . 31060 1 608 . 1 . 1 56 56 VAL HG23 H 1 0.787 0.020 . 2 . . . . A 56 VAL HG23 . 31060 1 609 . 1 . 1 56 56 VAL C C 13 175.968 0.400 . 1 . . . . A 56 VAL C . 31060 1 610 . 1 . 1 56 56 VAL CA C 13 62.150 0.400 . 1 . . . . A 56 VAL CA . 31060 1 611 . 1 . 1 56 56 VAL CB C 13 31.885 0.400 . 1 . . . . A 56 VAL CB . 31060 1 612 . 1 . 1 56 56 VAL CG1 C 13 23.336 0.400 . 2 . . . . A 56 VAL CG1 . 31060 1 613 . 1 . 1 56 56 VAL CG2 C 13 23.334 0.400 . 2 . . . . A 56 VAL CG2 . 31060 1 614 . 1 . 1 56 56 VAL N N 15 127.231 0.400 . 1 . . . . A 56 VAL N . 31060 1 615 . 1 . 1 57 57 SER H H 1 8.225 0.020 . 1 . . . . A 57 SER H . 31060 1 616 . 1 . 1 57 57 SER HA H 1 4.339 0.020 . 1 . . . . A 57 SER HA . 31060 1 617 . 1 . 1 57 57 SER HB2 H 1 4.278 0.020 . 2 . . . . A 57 SER HB2 . 31060 1 618 . 1 . 1 57 57 SER HB3 H 1 4.004 0.020 . 2 . . . . A 57 SER HB3 . 31060 1 619 . 1 . 1 57 57 SER C C 13 175.255 0.400 . 1 . . . . A 57 SER C . 31060 1 620 . 1 . 1 57 57 SER CA C 13 57.665 0.400 . 1 . . . . A 57 SER CA . 31060 1 621 . 1 . 1 57 57 SER CB C 13 64.634 0.400 . 1 . . . . A 57 SER CB . 31060 1 622 . 1 . 1 57 57 SER N N 15 123.298 0.400 . 1 . . . . A 57 SER N . 31060 1 623 . 1 . 1 58 58 LYS H H 1 8.890 0.020 . 1 . . . . A 58 LYS H . 31060 1 624 . 1 . 1 58 58 LYS HA H 1 3.889 0.020 . 1 . . . . A 58 LYS HA . 31060 1 625 . 1 . 1 58 58 LYS HB2 H 1 1.817 0.020 . 2 . . . . A 58 LYS HB2 . 31060 1 626 . 1 . 1 58 58 LYS CA C 13 59.903 0.400 . 1 . . . . A 58 LYS CA . 31060 1 627 . 1 . 1 58 58 LYS N N 15 122.863 0.400 . 1 . . . . A 58 LYS N . 31060 1 628 . 1 . 1 59 59 SER H H 1 8.417 0.020 . 1 . . . . A 59 SER H . 31060 1 629 . 1 . 1 59 59 SER HA H 1 4.103 0.020 . 1 . . . . A 59 SER HA . 31060 1 630 . 1 . 1 59 59 SER HB2 H 1 3.828 0.020 . 2 . . . . A 59 SER HB2 . 31060 1 631 . 1 . 1 59 59 SER C C 13 177.393 0.400 . 1 . . . . A 59 SER C . 31060 1 632 . 1 . 1 59 59 SER CA C 13 61.290 0.400 . 1 . . . . A 59 SER CA . 31060 1 633 . 1 . 1 59 59 SER CB C 13 62.433 0.400 . 1 . . . . A 59 SER CB . 31060 1 634 . 1 . 1 59 59 SER N N 15 122.209 0.400 . 1 . . . . A 59 SER N . 31060 1 635 . 1 . 1 60 60 LYS H H 1 7.687 0.020 . 1 . . . . A 60 LYS H . 31060 1 636 . 1 . 1 60 60 LYS HA H 1 4.017 0.020 . 1 . . . . A 60 LYS HA . 31060 1 637 . 1 . 1 60 60 LYS HB2 H 1 1.875 0.020 . 2 . . . . A 60 LYS HB2 . 31060 1 638 . 1 . 1 60 60 LYS HB3 H 1 1.723 0.020 . 2 . . . . A 60 LYS HB3 . 31060 1 639 . 1 . 1 60 60 LYS HG2 H 1 1.355 0.020 . 2 . . . . A 60 LYS HG2 . 31060 1 640 . 1 . 1 60 60 LYS C C 13 179.327 0.400 . 1 . . . . A 60 LYS C . 31060 1 641 . 1 . 1 60 60 LYS CA C 13 59.162 0.400 . 1 . . . . A 60 LYS CA . 31060 1 642 . 1 . 1 60 60 LYS CB C 13 32.099 0.400 . 1 . . . . A 60 LYS CB . 31060 1 643 . 1 . 1 60 60 LYS CG C 13 25.802 0.400 . 1 . . . . A 60 LYS CG . 31060 1 644 . 1 . 1 60 60 LYS N N 15 123.552 0.400 . 1 . . . . A 60 LYS N . 31060 1 645 . 1 . 1 61 61 LEU H H 1 8.442 0.020 . 1 . . . . A 61 LEU H . 31060 1 646 . 1 . 1 61 61 LEU HA H 1 3.896 0.020 . 1 . . . . A 61 LEU HA . 31060 1 647 . 1 . 1 61 61 LEU HB2 H 1 1.436 0.020 . 2 . . . . A 61 LEU HB2 . 31060 1 648 . 1 . 1 61 61 LEU HB3 H 1 1.819 0.020 . 2 . . . . A 61 LEU HB3 . 31060 1 649 . 1 . 1 61 61 LEU HD11 H 1 0.669 0.020 . 2 . . . . A 61 LEU HD11 . 31060 1 650 . 1 . 1 61 61 LEU HD12 H 1 0.669 0.020 . 2 . . . . A 61 LEU HD12 . 31060 1 651 . 1 . 1 61 61 LEU HD13 H 1 0.669 0.020 . 2 . . . . A 61 LEU HD13 . 31060 1 652 . 1 . 1 61 61 LEU C C 13 179.358 0.400 . 1 . . . . A 61 LEU C . 31060 1 653 . 1 . 1 61 61 LEU CA C 13 58.084 0.400 . 1 . . . . A 61 LEU CA . 31060 1 654 . 1 . 1 61 61 LEU CB C 13 41.690 0.400 . 1 . . . . A 61 LEU CB . 31060 1 655 . 1 . 1 61 61 LEU CD1 C 13 22.633 0.400 . 2 . . . . A 61 LEU CD1 . 31060 1 656 . 1 . 1 61 61 LEU N N 15 121.636 0.400 . 1 . . . . A 61 LEU N . 31060 1 657 . 1 . 1 62 62 LYS H H 1 8.406 0.020 . 1 . . . . A 62 LYS H . 31060 1 658 . 1 . 1 62 62 LYS HA H 1 3.970 0.020 . 1 . . . . A 62 LYS HA . 31060 1 659 . 1 . 1 62 62 LYS HB2 H 1 1.861 0.020 . 2 . . . . A 62 LYS HB2 . 31060 1 660 . 1 . 1 62 62 LYS HB3 H 1 1.882 0.020 . 2 . . . . A 62 LYS HB3 . 31060 1 661 . 1 . 1 62 62 LYS HG2 H 1 1.367 0.020 . 2 . . . . A 62 LYS HG2 . 31060 1 662 . 1 . 1 62 62 LYS HD2 H 1 1.525 0.020 . 2 . . . . A 62 LYS HD2 . 31060 1 663 . 1 . 1 62 62 LYS C C 13 179.133 0.400 . 1 . . . . A 62 LYS C . 31060 1 664 . 1 . 1 62 62 LYS CA C 13 59.773 0.400 . 1 . . . . A 62 LYS CA . 31060 1 665 . 1 . 1 62 62 LYS CB C 13 32.202 0.400 . 1 . . . . A 62 LYS CB . 31060 1 666 . 1 . 1 62 62 LYS CG C 13 25.164 0.400 . 1 . . . . A 62 LYS CG . 31060 1 667 . 1 . 1 62 62 LYS CD C 13 29.230 0.400 . 1 . . . . A 62 LYS CD . 31060 1 668 . 1 . 1 62 62 LYS N N 15 121.337 0.400 . 1 . . . . A 62 LYS N . 31060 1 669 . 1 . 1 63 63 LYS H H 1 7.732 0.020 . 1 . . . . A 63 LYS H . 31060 1 670 . 1 . 1 63 63 LYS HA H 1 3.993 0.020 . 1 . . . . A 63 LYS HA . 31060 1 671 . 1 . 1 63 63 LYS HB2 H 1 1.883 0.020 . 2 . . . . A 63 LYS HB2 . 31060 1 672 . 1 . 1 63 63 LYS HB3 H 1 1.852 0.020 . 2 . . . . A 63 LYS HB3 . 31060 1 673 . 1 . 1 63 63 LYS HG2 H 1 1.372 0.020 . 2 . . . . A 63 LYS HG2 . 31060 1 674 . 1 . 1 63 63 LYS HD2 H 1 1.562 0.020 . 2 . . . . A 63 LYS HD2 . 31060 1 675 . 1 . 1 63 63 LYS C C 13 178.996 0.400 . 1 . . . . A 63 LYS C . 31060 1 676 . 1 . 1 63 63 LYS CA C 13 59.846 0.400 . 1 . . . . A 63 LYS CA . 31060 1 677 . 1 . 1 63 63 LYS CB C 13 32.597 0.400 . 1 . . . . A 63 LYS CB . 31060 1 678 . 1 . 1 63 63 LYS CG C 13 25.233 0.400 . 1 . . . . A 63 LYS CG . 31060 1 679 . 1 . 1 63 63 LYS N N 15 119.695 0.400 . 1 . . . . A 63 LYS N . 31060 1 680 . 1 . 1 64 64 ALA H H 1 8.022 0.020 . 1 . . . . A 64 ALA H . 31060 1 681 . 1 . 1 64 64 ALA HA H 1 4.269 0.020 . 1 . . . . A 64 ALA HA . 31060 1 682 . 1 . 1 64 64 ALA HB1 H 1 1.312 0.020 . 1 . . . . A 64 ALA HB1 . 31060 1 683 . 1 . 1 64 64 ALA HB2 H 1 1.312 0.020 . 1 . . . . A 64 ALA HB2 . 31060 1 684 . 1 . 1 64 64 ALA HB3 H 1 1.312 0.020 . 1 . . . . A 64 ALA HB3 . 31060 1 685 . 1 . 1 64 64 ALA C C 13 179.205 0.400 . 1 . . . . A 64 ALA C . 31060 1 686 . 1 . 1 64 64 ALA CA C 13 54.987 0.400 . 1 . . . . A 64 ALA CA . 31060 1 687 . 1 . 1 64 64 ALA CB C 13 18.936 0.400 . 1 . . . . A 64 ALA CB . 31060 1 688 . 1 . 1 64 64 ALA N N 15 121.619 0.400 . 1 . . . . A 64 ALA N . 31060 1 689 . 1 . 1 65 65 THR H H 1 8.489 0.020 . 1 . . . . A 65 THR H . 31060 1 690 . 1 . 1 65 65 THR HA H 1 3.712 0.020 . 1 . . . . A 65 THR HA . 31060 1 691 . 1 . 1 65 65 THR HB H 1 4.227 0.020 . 1 . . . . A 65 THR HB . 31060 1 692 . 1 . 1 65 65 THR HG21 H 1 1.146 0.020 . 1 . . . . A 65 THR HG21 . 31060 1 693 . 1 . 1 65 65 THR HG22 H 1 1.146 0.020 . 1 . . . . A 65 THR HG22 . 31060 1 694 . 1 . 1 65 65 THR HG23 H 1 1.146 0.020 . 1 . . . . A 65 THR HG23 . 31060 1 695 . 1 . 1 65 65 THR C C 13 176.261 0.400 . 1 . . . . A 65 THR C . 31060 1 696 . 1 . 1 65 65 THR CA C 13 67.295 0.400 . 1 . . . . A 65 THR CA . 31060 1 697 . 1 . 1 65 65 THR CB C 13 68.369 0.400 . 1 . . . . A 65 THR CB . 31060 1 698 . 1 . 1 65 65 THR CG2 C 13 21.613 0.400 . 1 . . . . A 65 THR CG2 . 31060 1 699 . 1 . 1 65 65 THR N N 15 114.038 0.400 . 1 . . . . A 65 THR N . 31060 1 700 . 1 . 1 66 66 LYS H H 1 7.876 0.020 . 1 . . . . A 66 LYS H . 31060 1 701 . 1 . 1 66 66 LYS HA H 1 4.122 0.020 . 1 . . . . A 66 LYS HA . 31060 1 702 . 1 . 1 66 66 LYS HB2 H 1 2.048 0.020 . 2 . . . . A 66 LYS HB2 . 31060 1 703 . 1 . 1 66 66 LYS HB3 H 1 1.933 0.020 . 2 . . . . A 66 LYS HB3 . 31060 1 704 . 1 . 1 66 66 LYS HG2 H 1 1.363 0.020 . 2 . . . . A 66 LYS HG2 . 31060 1 705 . 1 . 1 66 66 LYS HD2 H 1 1.534 0.020 . 2 . . . . A 66 LYS HD2 . 31060 1 706 . 1 . 1 66 66 LYS C C 13 178.987 0.400 . 1 . . . . A 66 LYS C . 31060 1 707 . 1 . 1 66 66 LYS CA C 13 59.687 0.400 . 1 . . . . A 66 LYS CA . 31060 1 708 . 1 . 1 66 66 LYS CB C 13 32.012 0.400 . 1 . . . . A 66 LYS CB . 31060 1 709 . 1 . 1 66 66 LYS CG C 13 24.950 0.400 . 1 . . . . A 66 LYS CG . 31060 1 710 . 1 . 1 66 66 LYS CD C 13 29.230 0.400 . 1 . . . . A 66 LYS CD . 31060 1 711 . 1 . 1 66 66 LYS N N 15 122.445 0.400 . 1 . . . . A 66 LYS N . 31060 1 712 . 1 . 1 67 67 GLN H H 1 7.843 0.020 . 1 . . . . A 67 GLN H . 31060 1 713 . 1 . 1 67 67 GLN HA H 1 3.951 0.020 . 1 . . . . A 67 GLN HA . 31060 1 714 . 1 . 1 67 67 GLN HB2 H 1 2.283 0.020 . 2 . . . . A 67 GLN HB2 . 31060 1 715 . 1 . 1 67 67 GLN HB3 H 1 2.050 0.020 . 2 . . . . A 67 GLN HB3 . 31060 1 716 . 1 . 1 67 67 GLN HG2 H 1 2.402 0.020 . 2 . . . . A 67 GLN HG2 . 31060 1 717 . 1 . 1 67 67 GLN HE21 H 1 7.539 0.020 . 2 . . . . A 67 GLN HE21 . 31060 1 718 . 1 . 1 67 67 GLN HE22 H 1 6.862 0.020 . 2 . . . . A 67 GLN HE22 . 31060 1 719 . 1 . 1 67 67 GLN C C 13 178.164 0.400 . 1 . . . . A 67 GLN C . 31060 1 720 . 1 . 1 67 67 GLN CA C 13 58.740 0.400 . 1 . . . . A 67 GLN CA . 31060 1 721 . 1 . 1 67 67 GLN CB C 13 28.183 0.400 . 1 . . . . A 67 GLN CB . 31060 1 722 . 1 . 1 67 67 GLN N N 15 118.054 0.400 . 1 . . . . A 67 GLN N . 31060 1 723 . 1 . 1 67 67 GLN NE2 N 15 111.144 0.400 . 1 . . . . A 67 GLN NE2 . 31060 1 724 . 1 . 1 68 68 TYR H H 1 8.471 0.020 . 1 . . . . A 68 TYR H . 31060 1 725 . 1 . 1 68 68 TYR HA H 1 3.860 0.020 . 1 . . . . A 68 TYR HA . 31060 1 726 . 1 . 1 68 68 TYR HB2 H 1 3.021 0.020 . 2 . . . . A 68 TYR HB2 . 31060 1 727 . 1 . 1 68 68 TYR HB3 H 1 2.817 0.020 . 2 . . . . A 68 TYR HB3 . 31060 1 728 . 1 . 1 68 68 TYR HD1 H 1 6.487 0.020 . 1 . . . . A 68 TYR HD1 . 31060 1 729 . 1 . 1 68 68 TYR HD2 H 1 6.487 0.020 . 1 . . . . A 68 TYR HD2 . 31060 1 730 . 1 . 1 68 68 TYR HE1 H 1 6.523 0.020 . 1 . . . . A 68 TYR HE1 . 31060 1 731 . 1 . 1 68 68 TYR HE2 H 1 6.523 0.020 . 1 . . . . A 68 TYR HE2 . 31060 1 732 . 1 . 1 68 68 TYR C C 13 177.691 0.400 . 1 . . . . A 68 TYR C . 31060 1 733 . 1 . 1 68 68 TYR CA C 13 61.798 0.400 . 1 . . . . A 68 TYR CA . 31060 1 734 . 1 . 1 68 68 TYR CB C 13 38.203 0.400 . 1 . . . . A 68 TYR CB . 31060 1 735 . 1 . 1 68 68 TYR CD2 C 13 132.406 0.400 . 3 . . . . A 68 TYR CD2 . 31060 1 736 . 1 . 1 68 68 TYR CE2 C 13 118.115 0.400 . 3 . . . . A 68 TYR CE2 . 31060 1 737 . 1 . 1 68 68 TYR N N 15 121.022 0.400 . 1 . . . . A 68 TYR N . 31060 1 738 . 1 . 1 69 69 HIS H H 1 8.135 0.020 . 1 . . . . A 69 HIS H . 31060 1 739 . 1 . 1 69 69 HIS HA H 1 4.019 0.020 . 1 . . . . A 69 HIS HA . 31060 1 740 . 1 . 1 69 69 HIS HB2 H 1 3.125 0.020 . 2 . . . . A 69 HIS HB2 . 31060 1 741 . 1 . 1 69 69 HIS HD2 H 1 7.001 0.020 . 1 . . . . A 69 HIS HD2 . 31060 1 742 . 1 . 1 69 69 HIS C C 13 177.752 0.400 . 1 . . . . A 69 HIS C . 31060 1 743 . 1 . 1 69 69 HIS CA C 13 59.765 0.400 . 1 . . . . A 69 HIS CA . 31060 1 744 . 1 . 1 69 69 HIS CB C 13 30.378 0.400 . 1 . . . . A 69 HIS CB . 31060 1 745 . 1 . 1 69 69 HIS CD2 C 13 120.426 0.400 . 1 . . . . A 69 HIS CD2 . 31060 1 746 . 1 . 1 69 69 HIS N N 15 119.314 0.400 . 1 . . . . A 69 HIS N . 31060 1 747 . 1 . 1 70 70 ILE H H 1 7.984 0.020 . 1 . . . . A 70 ILE H . 31060 1 748 . 1 . 1 70 70 ILE HA H 1 3.737 0.020 . 1 . . . . A 70 ILE HA . 31060 1 749 . 1 . 1 70 70 ILE HB H 1 1.906 0.020 . 1 . . . . A 70 ILE HB . 31060 1 750 . 1 . 1 70 70 ILE HG12 H 1 1.142 0.020 . 2 . . . . A 70 ILE HG12 . 31060 1 751 . 1 . 1 70 70 ILE HG13 H 1 1.646 0.020 . 2 . . . . A 70 ILE HG13 . 31060 1 752 . 1 . 1 70 70 ILE HG21 H 1 0.840 0.020 . 1 . . . . A 70 ILE HG21 . 31060 1 753 . 1 . 1 70 70 ILE HG22 H 1 0.840 0.020 . 1 . . . . A 70 ILE HG22 . 31060 1 754 . 1 . 1 70 70 ILE HG23 H 1 0.840 0.020 . 1 . . . . A 70 ILE HG23 . 31060 1 755 . 1 . 1 70 70 ILE C C 13 178.316 0.400 . 1 . . . . A 70 ILE C . 31060 1 756 . 1 . 1 70 70 ILE CA C 13 64.460 0.400 . 1 . . . . A 70 ILE CA . 31060 1 757 . 1 . 1 70 70 ILE CB C 13 38.244 0.400 . 1 . . . . A 70 ILE CB . 31060 1 758 . 1 . 1 70 70 ILE CG1 C 13 28.966 0.400 . 1 . . . . A 70 ILE CG1 . 31060 1 759 . 1 . 1 70 70 ILE CG2 C 13 17.200 0.400 . 1 . . . . A 70 ILE CG2 . 31060 1 760 . 1 . 1 70 70 ILE N N 15 119.427 0.400 . 1 . . . . A 70 ILE N . 31060 1 761 . 1 . 1 71 71 GLN H H 1 8.085 0.020 . 1 . . . . A 71 GLN H . 31060 1 762 . 1 . 1 71 71 GLN HA H 1 4.098 0.020 . 1 . . . . A 71 GLN HA . 31060 1 763 . 1 . 1 71 71 GLN HB2 H 1 2.042 0.020 . 2 . . . . A 71 GLN HB2 . 31060 1 764 . 1 . 1 71 71 GLN HG2 H 1 2.370 0.020 . 2 . . . . A 71 GLN HG2 . 31060 1 765 . 1 . 1 71 71 GLN HE21 H 1 7.451 0.020 . 2 . . . . A 71 GLN HE21 . 31060 1 766 . 1 . 1 71 71 GLN HE22 H 1 6.690 0.020 . 2 . . . . A 71 GLN HE22 . 31060 1 767 . 1 . 1 71 71 GLN C C 13 177.556 0.400 . 1 . . . . A 71 GLN C . 31060 1 768 . 1 . 1 71 71 GLN CA C 13 57.926 0.400 . 1 . . . . A 71 GLN CA . 31060 1 769 . 1 . 1 71 71 GLN CB C 13 28.841 0.400 . 1 . . . . A 71 GLN CB . 31060 1 770 . 1 . 1 71 71 GLN CG C 13 33.955 0.400 . 1 . . . . A 71 GLN CG . 31060 1 771 . 1 . 1 71 71 GLN N N 15 118.416 0.400 . 1 . . . . A 71 GLN N . 31060 1 772 . 1 . 1 71 71 GLN NE2 N 15 110.012 0.400 . 1 . . . . A 71 GLN NE2 . 31060 1 773 . 1 . 1 72 72 THR H H 1 7.696 0.020 . 1 . . . . A 72 THR H . 31060 1 774 . 1 . 1 72 72 THR HA H 1 4.038 0.020 . 1 . . . . A 72 THR HA . 31060 1 775 . 1 . 1 72 72 THR HB H 1 3.930 0.020 . 1 . . . . A 72 THR HB . 31060 1 776 . 1 . 1 72 72 THR HG21 H 1 0.846 0.020 . 1 . . . . A 72 THR HG21 . 31060 1 777 . 1 . 1 72 72 THR HG22 H 1 0.846 0.020 . 1 . . . . A 72 THR HG22 . 31060 1 778 . 1 . 1 72 72 THR HG23 H 1 0.846 0.020 . 1 . . . . A 72 THR HG23 . 31060 1 779 . 1 . 1 72 72 THR C C 13 175.124 0.400 . 1 . . . . A 72 THR C . 31060 1 780 . 1 . 1 72 72 THR CA C 13 63.250 0.400 . 1 . . . . A 72 THR CA . 31060 1 781 . 1 . 1 72 72 THR CB C 13 69.492 0.400 . 1 . . . . A 72 THR CB . 31060 1 782 . 1 . 1 72 72 THR CG2 C 13 21.418 0.400 . 1 . . . . A 72 THR CG2 . 31060 1 783 . 1 . 1 72 72 THR N N 15 111.579 0.400 . 1 . . . . A 72 THR N . 31060 1 784 . 1 . 1 73 73 LYS H H 1 7.711 0.020 . 1 . . . . A 73 LYS H . 31060 1 785 . 1 . 1 73 73 LYS HA H 1 4.109 0.020 . 1 . . . . A 73 LYS HA . 31060 1 786 . 1 . 1 73 73 LYS HB2 H 1 1.738 0.020 . 2 . . . . A 73 LYS HB2 . 31060 1 787 . 1 . 1 73 73 LYS HG2 H 1 1.328 0.020 . 2 . . . . A 73 LYS HG2 . 31060 1 788 . 1 . 1 73 73 LYS HD2 H 1 1.566 0.020 . 2 . . . . A 73 LYS HD2 . 31060 1 789 . 1 . 1 73 73 LYS C C 13 176.808 0.400 . 1 . . . . A 73 LYS C . 31060 1 790 . 1 . 1 73 73 LYS CA C 13 56.942 0.400 . 1 . . . . A 73 LYS CA . 31060 1 791 . 1 . 1 73 73 LYS CB C 13 31.956 0.400 . 1 . . . . A 73 LYS CB . 31060 1 792 . 1 . 1 73 73 LYS CG C 13 24.637 0.400 . 1 . . . . A 73 LYS CG . 31060 1 793 . 1 . 1 73 73 LYS CD C 13 28.940 0.400 . 1 . . . . A 73 LYS CD . 31060 1 794 . 1 . 1 73 73 LYS N N 15 122.210 0.400 . 1 . . . . A 73 LYS N . 31060 1 795 . 1 . 1 74 74 LYS H H 1 8.060 0.020 . 1 . . . . A 74 LYS H . 31060 1 796 . 1 . 1 74 74 LYS HA H 1 4.166 0.020 . 1 . . . . A 74 LYS HA . 31060 1 797 . 1 . 1 74 74 LYS HB2 H 1 1.726 0.020 . 2 . . . . A 74 LYS HB2 . 31060 1 798 . 1 . 1 74 74 LYS HB3 H 1 1.681 0.020 . 2 . . . . A 74 LYS HB3 . 31060 1 799 . 1 . 1 74 74 LYS HG2 H 1 1.347 0.020 . 2 . . . . A 74 LYS HG2 . 31060 1 800 . 1 . 1 74 74 LYS HD2 H 1 1.580 0.020 . 2 . . . . A 74 LYS HD2 . 31060 1 801 . 1 . 1 74 74 LYS HE2 H 1 2.908 0.020 . 2 . . . . A 74 LYS HE2 . 31060 1 802 . 1 . 1 74 74 LYS C C 13 176.751 0.400 . 1 . . . . A 74 LYS C . 31060 1 803 . 1 . 1 74 74 LYS CA C 13 56.813 0.400 . 1 . . . . A 74 LYS CA . 31060 1 804 . 1 . 1 74 74 LYS CB C 13 32.857 0.400 . 1 . . . . A 74 LYS CB . 31060 1 805 . 1 . 1 74 74 LYS CG C 13 24.754 0.400 . 1 . . . . A 74 LYS CG . 31060 1 806 . 1 . 1 74 74 LYS CD C 13 29.097 0.400 . 1 . . . . A 74 LYS CD . 31060 1 807 . 1 . 1 74 74 LYS N N 15 121.388 0.400 . 1 . . . . A 74 LYS N . 31060 1 808 . 1 . 1 75 75 GLN H H 1 8.254 0.020 . 1 . . . . A 75 GLN H . 31060 1 809 . 1 . 1 75 75 GLN HA H 1 4.228 0.020 . 1 . . . . A 75 GLN HA . 31060 1 810 . 1 . 1 75 75 GLN HB2 H 1 2.040 0.020 . 2 . . . . A 75 GLN HB2 . 31060 1 811 . 1 . 1 75 75 GLN HB3 H 1 1.895 0.020 . 2 . . . . A 75 GLN HB3 . 31060 1 812 . 1 . 1 75 75 GLN HG2 H 1 2.295 0.020 . 2 . . . . A 75 GLN HG2 . 31060 1 813 . 1 . 1 75 75 GLN HE21 H 1 6.862 0.020 . 2 . . . . A 75 GLN HE21 . 31060 1 814 . 1 . 1 75 75 GLN HE22 H 1 7.538 0.020 . 2 . . . . A 75 GLN HE22 . 31060 1 815 . 1 . 1 75 75 GLN C C 13 175.933 0.400 . 1 . . . . A 75 GLN C . 31060 1 816 . 1 . 1 75 75 GLN CA C 13 55.867 0.400 . 1 . . . . A 75 GLN CA . 31060 1 817 . 1 . 1 75 75 GLN CB C 13 29.588 0.400 . 1 . . . . A 75 GLN CB . 31060 1 818 . 1 . 1 75 75 GLN CG C 13 33.870 0.400 . 1 . . . . A 75 GLN CG . 31060 1 819 . 1 . 1 75 75 GLN N N 15 120.826 0.400 . 1 . . . . A 75 GLN N . 31060 1 820 . 1 . 1 75 75 GLN NE2 N 15 111.623 0.400 . 1 . . . . A 75 GLN NE2 . 31060 1 821 . 1 . 1 76 76 GLU H H 1 8.335 0.020 . 1 . . . . A 76 GLU H . 31060 1 822 . 1 . 1 76 76 GLU CA C 13 56.756 0.400 . 1 . . . . A 76 GLU CA . 31060 1 823 . 1 . 1 76 76 GLU CB C 13 30.496 0.400 . 1 . . . . A 76 GLU CB . 31060 1 824 . 1 . 1 76 76 GLU N N 15 122.516 0.400 . 1 . . . . A 76 GLU N . 31060 1 825 . 1 . 1 77 77 LYS HA H 1 4.215 0.020 . 1 . . . . A 77 LYS HA . 31060 1 826 . 1 . 1 77 77 LYS HB2 H 1 1.737 0.020 . 2 . . . . A 77 LYS HB2 . 31060 1 827 . 1 . 1 77 77 LYS HB3 H 1 1.631 0.020 . 2 . . . . A 77 LYS HB3 . 31060 1 828 . 1 . 1 77 77 LYS HG2 H 1 1.338 0.020 . 2 . . . . A 77 LYS HG2 . 31060 1 829 . 1 . 1 77 77 LYS C C 13 175.869 0.400 . 1 . . . . A 77 LYS C . 31060 1 830 . 1 . 1 77 77 LYS CA C 13 55.922 0.400 . 1 . . . . A 77 LYS CA . 31060 1 831 . 1 . 1 77 77 LYS CB C 13 33.197 0.400 . 1 . . . . A 77 LYS CB . 31060 1 832 . 1 . 1 77 77 LYS CG C 13 24.663 0.400 . 1 . . . . A 77 LYS CG . 31060 1 833 . 1 . 1 77 77 LYS CD C 13 28.977 0.400 . 1 . . . . A 77 LYS CD . 31060 1 834 . 1 . 1 78 78 ALA H H 1 8.402 0.020 . 1 . . . . A 78 ALA H . 31060 1 835 . 1 . 1 78 78 ALA CA C 13 50.501 0.400 . 1 . . . . A 78 ALA CA . 31060 1 836 . 1 . 1 78 78 ALA CB C 13 18.220 0.400 . 1 . . . . A 78 ALA CB . 31060 1 837 . 1 . 1 78 78 ALA N N 15 126.639 0.400 . 1 . . . . A 78 ALA N . 31060 1 838 . 1 . 1 81 81 GLU HA H 1 4.168 0.020 . 1 . . . . A 81 GLU HA . 31060 1 839 . 1 . 1 81 81 GLU HB2 H 1 1.906 0.020 . 2 . . . . A 81 GLU HB2 . 31060 1 840 . 1 . 1 81 81 GLU HB3 H 1 1.816 0.020 . 2 . . . . A 81 GLU HB3 . 31060 1 841 . 1 . 1 81 81 GLU HG2 H 1 2.054 0.020 . 2 . . . . A 81 GLU HG2 . 31060 1 842 . 1 . 1 81 81 GLU C C 13 176.046 0.400 . 1 . . . . A 81 GLU C . 31060 1 843 . 1 . 1 81 81 GLU CA C 13 57.763 0.400 . 1 . . . . A 81 GLU CA . 31060 1 844 . 1 . 1 81 81 GLU CG C 13 36.251 0.400 . 1 . . . . A 81 GLU CG . 31060 1 845 . 1 . 1 82 82 LYS H H 1 8.267 0.020 . 1 . . . . A 82 LYS H . 31060 1 846 . 1 . 1 82 82 LYS HA H 1 4.218 0.020 . 1 . . . . A 82 LYS HA . 31060 1 847 . 1 . 1 82 82 LYS HB2 H 1 1.716 0.020 . 2 . . . . A 82 LYS HB2 . 31060 1 848 . 1 . 1 82 82 LYS HB3 H 1 1.653 0.020 . 2 . . . . A 82 LYS HB3 . 31060 1 849 . 1 . 1 82 82 LYS HG2 H 1 1.322 0.020 . 2 . . . . A 82 LYS HG2 . 31060 1 850 . 1 . 1 82 82 LYS C C 13 176.134 0.400 . 1 . . . . A 82 LYS C . 31060 1 851 . 1 . 1 82 82 LYS CA C 13 56.256 0.400 . 1 . . . . A 82 LYS CA . 31060 1 852 . 1 . 1 82 82 LYS CB C 13 33.015 0.400 . 1 . . . . A 82 LYS CB . 31060 1 853 . 1 . 1 82 82 LYS CG C 13 24.739 0.400 . 1 . . . . A 82 LYS CG . 31060 1 854 . 1 . 1 82 82 LYS N N 15 122.491 0.400 . 1 . . . . A 82 LYS N . 31060 1 855 . 1 . 1 83 83 ILE H H 1 8.186 0.020 . 1 . . . . A 83 ILE H . 31060 1 856 . 1 . 1 83 83 ILE HA H 1 4.071 0.020 . 1 . . . . A 83 ILE HA . 31060 1 857 . 1 . 1 83 83 ILE HB H 1 1.752 0.020 . 1 . . . . A 83 ILE HB . 31060 1 858 . 1 . 1 83 83 ILE HG12 H 1 1.392 0.020 . 2 . . . . A 83 ILE HG12 . 31060 1 859 . 1 . 1 83 83 ILE HG13 H 1 1.097 0.020 . 2 . . . . A 83 ILE HG13 . 31060 1 860 . 1 . 1 83 83 ILE HG21 H 1 0.765 0.020 . 1 . . . . A 83 ILE HG21 . 31060 1 861 . 1 . 1 83 83 ILE HG22 H 1 0.765 0.020 . 1 . . . . A 83 ILE HG22 . 31060 1 862 . 1 . 1 83 83 ILE HG23 H 1 0.765 0.020 . 1 . . . . A 83 ILE HG23 . 31060 1 863 . 1 . 1 83 83 ILE C C 13 176.130 0.400 . 1 . . . . A 83 ILE C . 31060 1 864 . 1 . 1 83 83 ILE CA C 13 61.089 0.400 . 1 . . . . A 83 ILE CA . 31060 1 865 . 1 . 1 83 83 ILE CB C 13 38.497 0.400 . 1 . . . . A 83 ILE CB . 31060 1 866 . 1 . 1 83 83 ILE CG1 C 13 27.310 0.400 . 1 . . . . A 83 ILE CG1 . 31060 1 867 . 1 . 1 83 83 ILE CG2 C 13 17.541 0.400 . 1 . . . . A 83 ILE CG2 . 31060 1 868 . 1 . 1 83 83 ILE N N 15 123.174 0.400 . 1 . . . . A 83 ILE N . 31060 1 869 . 1 . 1 84 84 VAL H H 1 8.234 0.020 . 1 . . . . A 84 VAL H . 31060 1 870 . 1 . 1 84 84 VAL HA H 1 4.048 0.020 . 1 . . . . A 84 VAL HA . 31060 1 871 . 1 . 1 84 84 VAL HB H 1 1.890 0.020 . 1 . . . . A 84 VAL HB . 31060 1 872 . 1 . 1 84 84 VAL HG11 H 1 0.791 0.020 . 2 . . . . A 84 VAL HG11 . 31060 1 873 . 1 . 1 84 84 VAL HG12 H 1 0.791 0.020 . 2 . . . . A 84 VAL HG12 . 31060 1 874 . 1 . 1 84 84 VAL HG13 H 1 0.791 0.020 . 2 . . . . A 84 VAL HG13 . 31060 1 875 . 1 . 1 84 84 VAL C C 13 175.487 0.400 . 1 . . . . A 84 VAL C . 31060 1 876 . 1 . 1 84 84 VAL CA C 13 62.152 0.400 . 1 . . . . A 84 VAL CA . 31060 1 877 . 1 . 1 84 84 VAL CB C 13 32.911 0.400 . 1 . . . . A 84 VAL CB . 31060 1 878 . 1 . 1 84 84 VAL CG1 C 13 20.722 0.400 . 2 . . . . A 84 VAL CG1 . 31060 1 879 . 1 . 1 84 84 VAL N N 15 125.035 0.400 . 1 . . . . A 84 VAL N . 31060 1 880 . 1 . 1 85 85 SER H H 1 8.227 0.020 . 1 . . . . A 85 SER H . 31060 1 881 . 1 . 1 85 85 SER HA H 1 4.385 0.020 . 1 . . . . A 85 SER HA . 31060 1 882 . 1 . 1 85 85 SER HB2 H 1 3.699 0.020 . 2 . . . . A 85 SER HB2 . 31060 1 883 . 1 . 1 85 85 SER C C 13 173.986 0.400 . 1 . . . . A 85 SER C . 31060 1 884 . 1 . 1 85 85 SER CA C 13 57.682 0.400 . 1 . . . . A 85 SER CA . 31060 1 885 . 1 . 1 85 85 SER CB C 13 64.097 0.400 . 1 . . . . A 85 SER CB . 31060 1 886 . 1 . 1 85 85 SER N N 15 119.370 0.400 . 1 . . . . A 85 SER N . 31060 1 887 . 1 . 1 86 86 TYR H H 1 8.310 0.020 . 1 . . . . A 86 TYR H . 31060 1 888 . 1 . 1 86 86 TYR HA H 1 4.257 0.020 . 1 . . . . A 86 TYR HA . 31060 1 889 . 1 . 1 86 86 TYR HB2 H 1 2.203 0.020 . 2 . . . . A 86 TYR HB2 . 31060 1 890 . 1 . 1 86 86 TYR HB3 H 1 1.785 0.020 . 2 . . . . A 86 TYR HB3 . 31060 1 891 . 1 . 1 86 86 TYR C C 13 176.971 0.400 . 1 . . . . A 86 TYR C . 31060 1 892 . 1 . 1 86 86 TYR CA C 13 57.962 0.400 . 1 . . . . A 86 TYR CA . 31060 1 893 . 1 . 1 86 86 TYR CB C 13 38.907 0.400 . 1 . . . . A 86 TYR CB . 31060 1 894 . 1 . 1 86 86 TYR N N 15 122.809 0.400 . 1 . . . . A 86 TYR N . 31060 1 895 . 1 . 1 87 87 GLU H H 1 8.157 0.020 . 1 . . . . A 87 GLU H . 31060 1 896 . 1 . 1 87 87 GLU HA H 1 4.192 0.020 . 1 . . . . A 87 GLU HA . 31060 1 897 . 1 . 1 87 87 GLU HB2 H 1 1.941 0.020 . 2 . . . . A 87 GLU HB2 . 31060 1 898 . 1 . 1 87 87 GLU HB3 H 1 1.781 0.020 . 2 . . . . A 87 GLU HB3 . 31060 1 899 . 1 . 1 87 87 GLU HG2 H 1 2.134 0.020 . 2 . . . . A 87 GLU HG2 . 31060 1 900 . 1 . 1 87 87 GLU C C 13 175.993 0.400 . 1 . . . . A 87 GLU C . 31060 1 901 . 1 . 1 87 87 GLU CA C 13 56.484 0.400 . 1 . . . . A 87 GLU CA . 31060 1 902 . 1 . 1 87 87 GLU CB C 13 30.522 0.400 . 1 . . . . A 87 GLU CB . 31060 1 903 . 1 . 1 87 87 GLU CG C 13 36.274 0.400 . 1 . . . . A 87 GLU CG . 31060 1 904 . 1 . 1 87 87 GLU N N 15 117.717 0.400 . 1 . . . . A 87 GLU N . 31060 1 905 . 1 . 1 88 88 ASN H H 1 8.277 0.020 . 1 . . . . A 88 ASN H . 31060 1 906 . 1 . 1 88 88 ASN HA H 1 4.516 0.020 . 1 . . . . A 88 ASN HA . 31060 1 907 . 1 . 1 88 88 ASN HB2 H 1 2.699 0.020 . 2 . . . . A 88 ASN HB2 . 31060 1 908 . 1 . 1 88 88 ASN HB3 H 1 2.593 0.020 . 2 . . . . A 88 ASN HB3 . 31060 1 909 . 1 . 1 88 88 ASN HD21 H 1 8.298 0.020 . 2 . . . . A 88 ASN HD21 . 31060 1 910 . 1 . 1 88 88 ASN C C 13 176.769 0.400 . 1 . . . . A 88 ASN C . 31060 1 911 . 1 . 1 88 88 ASN CA C 13 54.538 0.400 . 1 . . . . A 88 ASN CA . 31060 1 912 . 1 . 1 88 88 ASN CB C 13 41.441 0.400 . 1 . . . . A 88 ASN CB . 31060 1 913 . 1 . 1 88 88 ASN N N 15 121.276 0.400 . 1 . . . . A 88 ASN N . 31060 1 914 . 1 . 1 88 88 ASN ND2 N 15 114.155 0.400 . 1 . . . . A 88 ASN ND2 . 31060 1 915 . 1 . 1 89 89 GLY H H 1 8.279 0.020 . 1 . . . . A 89 GLY H . 31060 1 916 . 1 . 1 89 89 GLY HA2 H 1 3.841 0.020 . 2 . . . . A 89 GLY HA2 . 31060 1 917 . 1 . 1 89 89 GLY C C 13 174.339 0.400 . 1 . . . . A 89 GLY C . 31060 1 918 . 1 . 1 89 89 GLY CA C 13 45.576 0.400 . 1 . . . . A 89 GLY CA . 31060 1 919 . 1 . 1 89 89 GLY N N 15 109.242 0.400 . 1 . . . . A 89 GLY N . 31060 1 920 . 1 . 1 90 90 ASP H H 1 8.403 0.020 . 1 . . . . A 90 ASP H . 31060 1 921 . 1 . 1 90 90 ASP HA H 1 4.533 0.020 . 1 . . . . A 90 ASP HA . 31060 1 922 . 1 . 1 90 90 ASP HB2 H 1 2.605 0.020 . 2 . . . . A 90 ASP HB2 . 31060 1 923 . 1 . 1 90 90 ASP HB3 H 1 2.524 0.020 . 2 . . . . A 90 ASP HB3 . 31060 1 924 . 1 . 1 90 90 ASP C C 13 176.156 0.400 . 1 . . . . A 90 ASP C . 31060 1 925 . 1 . 1 90 90 ASP CA C 13 54.496 0.400 . 1 . . . . A 90 ASP CA . 31060 1 926 . 1 . 1 90 90 ASP CB C 13 41.164 0.400 . 1 . . . . A 90 ASP CB . 31060 1 927 . 1 . 1 90 90 ASP N N 15 120.131 0.400 . 1 . . . . A 90 ASP N . 31060 1 928 . 1 . 1 91 91 ASN H H 1 8.354 0.020 . 1 . . . . A 91 ASN H . 31060 1 929 . 1 . 1 91 91 ASN HA H 1 4.650 0.020 . 1 . . . . A 91 ASN HA . 31060 1 930 . 1 . 1 91 91 ASN HB2 H 1 2.773 0.020 . 2 . . . . A 91 ASN HB2 . 31060 1 931 . 1 . 1 91 91 ASN HB3 H 1 2.670 0.020 . 2 . . . . A 91 ASN HB3 . 31060 1 932 . 1 . 1 91 91 ASN HD21 H 1 7.607 0.020 . 2 . . . . A 91 ASN HD21 . 31060 1 933 . 1 . 1 91 91 ASN HD22 H 1 6.907 0.020 . 2 . . . . A 91 ASN HD22 . 31060 1 934 . 1 . 1 91 91 ASN C C 13 175.334 0.400 . 1 . . . . A 91 ASN C . 31060 1 935 . 1 . 1 91 91 ASN CA C 13 53.482 0.400 . 1 . . . . A 91 ASN CA . 31060 1 936 . 1 . 1 91 91 ASN CB C 13 38.895 0.400 . 1 . . . . A 91 ASN CB . 31060 1 937 . 1 . 1 91 91 ASN N N 15 118.709 0.400 . 1 . . . . A 91 ASN N . 31060 1 938 . 1 . 1 91 91 ASN ND2 N 15 112.661 0.400 . 1 . . . . A 91 ASN ND2 . 31060 1 939 . 1 . 1 92 92 VAL H H 1 7.994 0.020 . 1 . . . . A 92 VAL H . 31060 1 940 . 1 . 1 92 92 VAL HA H 1 3.989 0.020 . 1 . . . . A 92 VAL HA . 31060 1 941 . 1 . 1 92 92 VAL HB H 1 2.010 0.020 . 1 . . . . A 92 VAL HB . 31060 1 942 . 1 . 1 92 92 VAL HG11 H 1 0.831 0.020 . 2 . . . . A 92 VAL HG11 . 31060 1 943 . 1 . 1 92 92 VAL HG12 H 1 0.831 0.020 . 2 . . . . A 92 VAL HG12 . 31060 1 944 . 1 . 1 92 92 VAL HG13 H 1 0.831 0.020 . 2 . . . . A 92 VAL HG13 . 31060 1 945 . 1 . 1 92 92 VAL C C 13 175.760 0.400 . 1 . . . . A 92 VAL C . 31060 1 946 . 1 . 1 92 92 VAL CA C 13 62.728 0.400 . 1 . . . . A 92 VAL CA . 31060 1 947 . 1 . 1 92 92 VAL CB C 13 32.546 0.400 . 1 . . . . A 92 VAL CB . 31060 1 948 . 1 . 1 92 92 VAL CG1 C 13 21.214 0.400 . 2 . . . . A 92 VAL CG1 . 31060 1 949 . 1 . 1 92 92 VAL CG2 C 13 21.214 0.400 . 2 . . . . A 92 VAL CG2 . 31060 1 950 . 1 . 1 92 92 VAL N N 15 119.902 0.400 . 1 . . . . A 92 VAL N . 31060 1 951 . 1 . 1 93 93 ASN H H 1 8.491 0.020 . 1 . . . . A 93 ASN H . 31060 1 952 . 1 . 1 93 93 ASN HA H 1 4.665 0.020 . 1 . . . . A 93 ASN HA . 31060 1 953 . 1 . 1 93 93 ASN HB2 H 1 2.797 0.020 . 2 . . . . A 93 ASN HB2 . 31060 1 954 . 1 . 1 93 93 ASN HB3 H 1 2.655 0.020 . 2 . . . . A 93 ASN HB3 . 31060 1 955 . 1 . 1 93 93 ASN HD21 H 1 7.606 0.020 . 2 . . . . A 93 ASN HD21 . 31060 1 956 . 1 . 1 93 93 ASN HD22 H 1 6.907 0.020 . 2 . . . . A 93 ASN HD22 . 31060 1 957 . 1 . 1 93 93 ASN C C 13 175.329 0.400 . 1 . . . . A 93 ASN C . 31060 1 958 . 1 . 1 93 93 ASN CA C 13 53.235 0.400 . 1 . . . . A 93 ASN CA . 31060 1 959 . 1 . 1 93 93 ASN CB C 13 38.728 0.400 . 1 . . . . A 93 ASN CB . 31060 1 960 . 1 . 1 93 93 ASN N N 15 121.876 0.400 . 1 . . . . A 93 ASN N . 31060 1 961 . 1 . 1 93 93 ASN ND2 N 15 112.411 0.400 . 1 . . . . A 93 ASN ND2 . 31060 1 962 . 1 . 1 94 94 LEU H H 1 8.268 0.020 . 1 . . . . A 94 LEU H . 31060 1 963 . 1 . 1 94 94 LEU HA H 1 4.259 0.020 . 1 . . . . A 94 LEU HA . 31060 1 964 . 1 . 1 94 94 LEU HB2 H 1 1.574 0.020 . 2 . . . . A 94 LEU HB2 . 31060 1 965 . 1 . 1 94 94 LEU HB3 H 1 1.536 0.020 . 2 . . . . A 94 LEU HB3 . 31060 1 966 . 1 . 1 94 94 LEU HD11 H 1 0.830 0.020 . 2 . . . . A 94 LEU HD11 . 31060 1 967 . 1 . 1 94 94 LEU HD12 H 1 0.830 0.020 . 2 . . . . A 94 LEU HD12 . 31060 1 968 . 1 . 1 94 94 LEU HD13 H 1 0.830 0.020 . 2 . . . . A 94 LEU HD13 . 31060 1 969 . 1 . 1 94 94 LEU C C 13 177.620 0.400 . 1 . . . . A 94 LEU C . 31060 1 970 . 1 . 1 94 94 LEU CA C 13 55.542 0.400 . 1 . . . . A 94 LEU CA . 31060 1 971 . 1 . 1 94 94 LEU CB C 13 42.205 0.400 . 1 . . . . A 94 LEU CB . 31060 1 972 . 1 . 1 94 94 LEU CG C 13 26.977 0.400 . 1 . . . . A 94 LEU CG . 31060 1 973 . 1 . 1 94 94 LEU CD1 C 13 24.980 0.400 . 2 . . . . A 94 LEU CD1 . 31060 1 974 . 1 . 1 94 94 LEU CD2 C 13 23.289 0.400 . 2 . . . . A 94 LEU CD2 . 31060 1 975 . 1 . 1 94 94 LEU N N 15 123.434 0.400 . 1 . . . . A 94 LEU N . 31060 1 976 . 1 . 1 95 95 SER H H 1 8.243 0.020 . 1 . . . . A 95 SER H . 31060 1 977 . 1 . 1 95 95 SER HA H 1 4.321 0.020 . 1 . . . . A 95 SER HA . 31060 1 978 . 1 . 1 95 95 SER HB2 H 1 3.827 0.020 . 2 . . . . A 95 SER HB2 . 31060 1 979 . 1 . 1 95 95 SER C C 13 174.707 0.400 . 1 . . . . A 95 SER C . 31060 1 980 . 1 . 1 95 95 SER CA C 13 59.006 0.400 . 1 . . . . A 95 SER CA . 31060 1 981 . 1 . 1 95 95 SER CB C 13 63.741 0.400 . 1 . . . . A 95 SER CB . 31060 1 982 . 1 . 1 95 95 SER N N 15 115.926 0.400 . 1 . . . . A 95 SER N . 31060 1 983 . 1 . 1 96 96 GLU H H 1 8.246 0.020 . 1 . . . . A 96 GLU H . 31060 1 984 . 1 . 1 96 96 GLU HA H 1 4.208 0.020 . 1 . . . . A 96 GLU HA . 31060 1 985 . 1 . 1 96 96 GLU HB2 H 1 1.992 0.020 . 2 . . . . A 96 GLU HB2 . 31060 1 986 . 1 . 1 96 96 GLU HB3 H 1 1.857 0.020 . 2 . . . . A 96 GLU HB3 . 31060 1 987 . 1 . 1 96 96 GLU HG2 H 1 2.167 0.020 . 2 . . . . A 96 GLU HG2 . 31060 1 988 . 1 . 1 96 96 GLU HG3 H 1 2.272 0.020 . 2 . . . . A 96 GLU HG3 . 31060 1 989 . 1 . 1 96 96 GLU C C 13 176.215 0.400 . 1 . . . . A 96 GLU C . 31060 1 990 . 1 . 1 96 96 GLU CA C 13 56.735 0.400 . 1 . . . . A 96 GLU CA . 31060 1 991 . 1 . 1 96 96 GLU CB C 13 30.279 0.400 . 1 . . . . A 96 GLU CB . 31060 1 992 . 1 . 1 96 96 GLU CG C 13 36.161 0.400 . 1 . . . . A 96 GLU CG . 31060 1 993 . 1 . 1 96 96 GLU N N 15 122.313 0.400 . 1 . . . . A 96 GLU N . 31060 1 994 . 1 . 1 97 97 ALA H H 1 8.174 0.020 . 1 . . . . A 97 ALA H . 31060 1 995 . 1 . 1 97 97 ALA HA H 1 4.231 0.020 . 1 . . . . A 97 ALA HA . 31060 1 996 . 1 . 1 97 97 ALA HB1 H 1 1.304 0.020 . 1 . . . . A 97 ALA HB1 . 31060 1 997 . 1 . 1 97 97 ALA HB2 H 1 1.304 0.020 . 1 . . . . A 97 ALA HB2 . 31060 1 998 . 1 . 1 97 97 ALA HB3 H 1 1.304 0.020 . 1 . . . . A 97 ALA HB3 . 31060 1 999 . 1 . 1 97 97 ALA CA C 13 52.728 0.400 . 1 . . . . A 97 ALA CA . 31060 1 1000 . 1 . 1 97 97 ALA CB C 13 19.035 0.400 . 1 . . . . A 97 ALA CB . 31060 1 1001 . 1 . 1 97 97 ALA N N 15 124.597 0.400 . 1 . . . . A 97 ALA N . 31060 1 1002 . 1 . 1 98 98 ILE H H 1 7.999 0.020 . 1 . . . . A 98 ILE H . 31060 1 1003 . 1 . 1 98 98 ILE HA H 1 4.056 0.020 . 1 . . . . A 98 ILE HA . 31060 1 1004 . 1 . 1 98 98 ILE HB H 1 1.765 0.020 . 1 . . . . A 98 ILE HB . 31060 1 1005 . 1 . 1 98 98 ILE HG12 H 1 1.394 0.020 . 2 . . . . A 98 ILE HG12 . 31060 1 1006 . 1 . 1 98 98 ILE HG13 H 1 1.101 0.020 . 2 . . . . A 98 ILE HG13 . 31060 1 1007 . 1 . 1 98 98 ILE HG21 H 1 0.808 0.020 . 1 . . . . A 98 ILE HG21 . 31060 1 1008 . 1 . 1 98 98 ILE HG22 H 1 0.808 0.020 . 1 . . . . A 98 ILE HG22 . 31060 1 1009 . 1 . 1 98 98 ILE HG23 H 1 0.808 0.020 . 1 . . . . A 98 ILE HG23 . 31060 1 1010 . 1 . 1 98 98 ILE HD11 H 1 0.676 0.020 . 1 . . . . A 98 ILE HD11 . 31060 1 1011 . 1 . 1 98 98 ILE HD12 H 1 0.676 0.020 . 1 . . . . A 98 ILE HD12 . 31060 1 1012 . 1 . 1 98 98 ILE HD13 H 1 0.676 0.020 . 1 . . . . A 98 ILE HD13 . 31060 1 1013 . 1 . 1 98 98 ILE C C 13 176.004 0.400 . 1 . . . . A 98 ILE C . 31060 1 1014 . 1 . 1 98 98 ILE CA C 13 61.270 0.400 . 1 . . . . A 98 ILE CA . 31060 1 1015 . 1 . 1 98 98 ILE CB C 13 38.774 0.400 . 1 . . . . A 98 ILE CB . 31060 1 1016 . 1 . 1 98 98 ILE CG1 C 13 27.325 0.400 . 1 . . . . A 98 ILE CG1 . 31060 1 1017 . 1 . 1 98 98 ILE CG2 C 13 17.495 0.400 . 1 . . . . A 98 ILE CG2 . 31060 1 1018 . 1 . 1 98 98 ILE N N 15 119.317 0.400 . 1 . . . . A 98 ILE N . 31060 1 1019 . 1 . 1 99 99 ASN H H 1 8.421 0.020 . 1 . . . . A 99 ASN H . 31060 1 1020 . 1 . 1 99 99 ASN HA H 1 4.666 0.020 . 1 . . . . A 99 ASN HA . 31060 1 1021 . 1 . 1 99 99 ASN HB2 H 1 2.773 0.020 . 2 . . . . A 99 ASN HB2 . 31060 1 1022 . 1 . 1 99 99 ASN HB3 H 1 2.667 0.020 . 2 . . . . A 99 ASN HB3 . 31060 1 1023 . 1 . 1 99 99 ASN HD21 H 1 6.905 0.020 . 2 . . . . A 99 ASN HD21 . 31060 1 1024 . 1 . 1 99 99 ASN HD22 H 1 7.609 0.020 . 2 . . . . A 99 ASN HD22 . 31060 1 1025 . 1 . 1 99 99 ASN C C 13 175.351 0.400 . 1 . . . . A 99 ASN C . 31060 1 1026 . 1 . 1 99 99 ASN CA C 13 53.298 0.400 . 1 . . . . A 99 ASN CA . 31060 1 1027 . 1 . 1 99 99 ASN CB C 13 38.733 0.400 . 1 . . . . A 99 ASN CB . 31060 1 1028 . 1 . 1 99 99 ASN N N 15 122.336 0.400 . 1 . . . . A 99 ASN N . 31060 1 1029 . 1 . 1 99 99 ASN ND2 N 15 112.181 0.400 . 1 . . . . A 99 ASN ND2 . 31060 1 1030 . 1 . 1 100 100 VAL H H 1 8.083 0.020 . 1 . . . . A 100 VAL H . 31060 1 1031 . 1 . 1 100 100 VAL HA H 1 3.989 0.020 . 1 . . . . A 100 VAL HA . 31060 1 1032 . 1 . 1 100 100 VAL HB H 1 2.026 0.020 . 1 . . . . A 100 VAL HB . 31060 1 1033 . 1 . 1 100 100 VAL HG11 H 1 0.849 0.020 . 2 . . . . A 100 VAL HG11 . 31060 1 1034 . 1 . 1 100 100 VAL HG12 H 1 0.849 0.020 . 2 . . . . A 100 VAL HG12 . 31060 1 1035 . 1 . 1 100 100 VAL HG13 H 1 0.849 0.020 . 2 . . . . A 100 VAL HG13 . 31060 1 1036 . 1 . 1 100 100 VAL C C 13 176.147 0.400 . 1 . . . . A 100 VAL C . 31060 1 1037 . 1 . 1 100 100 VAL CA C 13 62.730 0.400 . 1 . . . . A 100 VAL CA . 31060 1 1038 . 1 . 1 100 100 VAL CB C 13 32.521 0.400 . 1 . . . . A 100 VAL CB . 31060 1 1039 . 1 . 1 100 100 VAL CG1 C 13 21.312 0.400 . 2 . . . . A 100 VAL CG1 . 31060 1 1040 . 1 . 1 100 100 VAL N N 15 120.739 0.400 . 1 . . . . A 100 VAL N . 31060 1 1041 . 1 . 1 101 101 GLN H H 1 8.377 0.020 . 1 . . . . A 101 GLN H . 31060 1 1042 . 1 . 1 101 101 GLN HA H 1 4.241 0.020 . 1 . . . . A 101 GLN HA . 31060 1 1043 . 1 . 1 101 101 GLN HB2 H 1 2.016 0.020 . 2 . . . . A 101 GLN HB2 . 31060 1 1044 . 1 . 1 101 101 GLN HB3 H 1 1.911 0.020 . 2 . . . . A 101 GLN HB3 . 31060 1 1045 . 1 . 1 101 101 GLN HG2 H 1 2.262 0.020 . 2 . . . . A 101 GLN HG2 . 31060 1 1046 . 1 . 1 101 101 GLN HE21 H 1 6.856 0.020 . 2 . . . . A 101 GLN HE21 . 31060 1 1047 . 1 . 1 101 101 GLN HE22 H 1 7.539 0.020 . 2 . . . . A 101 GLN HE22 . 31060 1 1048 . 1 . 1 101 101 GLN CA C 13 56.031 0.400 . 1 . . . . A 101 GLN CA . 31060 1 1049 . 1 . 1 101 101 GLN CB C 13 29.313 0.400 . 1 . . . . A 101 GLN CB . 31060 1 1050 . 1 . 1 101 101 GLN N N 15 123.357 0.400 . 1 . . . . A 101 GLN N . 31060 1 1051 . 1 . 1 101 101 GLN NE2 N 15 112.347 0.400 . 1 . . . . A 101 GLN NE2 . 31060 1 1052 . 1 . 1 102 102 LEU H H 1 8.232 0.020 . 1 . . . . A 102 LEU H . 31060 1 1053 . 1 . 1 102 102 LEU HA H 1 4.297 0.020 . 1 . . . . A 102 LEU HA . 31060 1 1054 . 1 . 1 102 102 LEU HB2 H 1 1.598 0.020 . 2 . . . . A 102 LEU HB2 . 31060 1 1055 . 1 . 1 102 102 LEU HB3 H 1 1.522 0.020 . 2 . . . . A 102 LEU HB3 . 31060 1 1056 . 1 . 1 102 102 LEU HG H 1 1.545 0.020 . 1 . . . . A 102 LEU HG . 31060 1 1057 . 1 . 1 102 102 LEU HD11 H 1 0.795 0.020 . 2 . . . . A 102 LEU HD11 . 31060 1 1058 . 1 . 1 102 102 LEU HD12 H 1 0.795 0.020 . 2 . . . . A 102 LEU HD12 . 31060 1 1059 . 1 . 1 102 102 LEU HD13 H 1 0.795 0.020 . 2 . . . . A 102 LEU HD13 . 31060 1 1060 . 1 . 1 102 102 LEU C C 13 177.513 0.400 . 1 . . . . A 102 LEU C . 31060 1 1061 . 1 . 1 102 102 LEU CA C 13 55.472 0.400 . 1 . . . . A 102 LEU CA . 31060 1 1062 . 1 . 1 102 102 LEU CB C 13 42.532 0.400 . 1 . . . . A 102 LEU CB . 31060 1 1063 . 1 . 1 102 102 LEU CG C 13 26.980 0.400 . 1 . . . . A 102 LEU CG . 31060 1 1064 . 1 . 1 102 102 LEU CD1 C 13 24.931 0.400 . 2 . . . . A 102 LEU CD1 . 31060 1 1065 . 1 . 1 102 102 LEU N N 15 123.315 0.400 . 1 . . . . A 102 LEU N . 31060 1 1066 . 1 . 1 103 103 THR H H 1 8.102 0.020 . 1 . . . . A 103 THR H . 31060 1 1067 . 1 . 1 103 103 THR HA H 1 4.274 0.020 . 1 . . . . A 103 THR HA . 31060 1 1068 . 1 . 1 103 103 THR HB H 1 4.154 0.020 . 1 . . . . A 103 THR HB . 31060 1 1069 . 1 . 1 103 103 THR HG21 H 1 1.123 0.020 . 1 . . . . A 103 THR HG1 . 31060 1 1070 . 1 . 1 103 103 THR HG22 H 1 1.123 0.020 . 1 . . . . A 103 THR HG1 . 31060 1 1071 . 1 . 1 103 103 THR HG23 H 1 1.123 0.020 . 1 . . . . A 103 THR HG1 . 31060 1 1072 . 1 . 1 103 103 THR C C 13 174.431 0.400 . 1 . . . . A 103 THR C . 31060 1 1073 . 1 . 1 103 103 THR CA C 13 61.827 0.400 . 1 . . . . A 103 THR CA . 31060 1 1074 . 1 . 1 103 103 THR CB C 13 69.761 0.400 . 1 . . . . A 103 THR CB . 31060 1 1075 . 1 . 1 103 103 THR N N 15 115.008 0.400 . 1 . . . . A 103 THR N . 31060 1 1076 . 1 . 1 104 104 LEU H H 1 8.227 0.020 . 1 . . . . A 104 LEU H . 31060 1 1077 . 1 . 1 104 104 LEU HA H 1 4.285 0.020 . 1 . . . . A 104 LEU HA . 31060 1 1078 . 1 . 1 104 104 LEU HB2 H 1 1.560 0.020 . 2 . . . . A 104 LEU HB2 . 31060 1 1079 . 1 . 1 104 104 LEU HD11 H 1 0.787 0.020 . 2 . . . . A 104 LEU HD11 . 31060 1 1080 . 1 . 1 104 104 LEU HD12 H 1 0.787 0.020 . 2 . . . . A 104 LEU HD12 . 31060 1 1081 . 1 . 1 104 104 LEU HD13 H 1 0.787 0.020 . 2 . . . . A 104 LEU HD13 . 31060 1 1082 . 1 . 1 104 104 LEU C C 13 177.022 0.400 . 1 . . . . A 104 LEU C . 31060 1 1083 . 1 . 1 104 104 LEU CA C 13 55.268 0.400 . 1 . . . . A 104 LEU CA . 31060 1 1084 . 1 . 1 104 104 LEU CB C 13 42.485 0.400 . 1 . . . . A 104 LEU CB . 31060 1 1085 . 1 . 1 104 104 LEU CD1 C 13 24.717 0.400 . 2 . . . . A 104 LEU CD1 . 31060 1 1086 . 1 . 1 104 104 LEU N N 15 124.533 0.400 . 1 . . . . A 104 LEU N . 31060 1 1087 . 1 . 1 105 105 ASP H H 1 8.344 0.020 . 1 . . . . A 105 ASP H . 31060 1 1088 . 1 . 1 105 105 ASP HA H 1 4.555 0.020 . 1 . . . . A 105 ASP HA . 31060 1 1089 . 1 . 1 105 105 ASP HB2 H 1 2.660 0.020 . 2 . . . . A 105 ASP HB2 . 31060 1 1090 . 1 . 1 105 105 ASP HB3 H 1 2.520 0.020 . 2 . . . . A 105 ASP HB3 . 31060 1 1091 . 1 . 1 105 105 ASP C C 13 176.429 0.400 . 1 . . . . A 105 ASP C . 31060 1 1092 . 1 . 1 105 105 ASP CA C 13 54.421 0.400 . 1 . . . . A 105 ASP CA . 31060 1 1093 . 1 . 1 105 105 ASP CB C 13 41.211 0.400 . 1 . . . . A 105 ASP CB . 31060 1 1094 . 1 . 1 105 105 ASP N N 15 121.233 0.400 . 1 . . . . A 105 ASP N . 31060 1 1095 . 1 . 1 106 106 THR H H 1 8.010 0.020 . 1 . . . . A 106 THR H . 31060 1 1096 . 1 . 1 106 106 THR HA H 1 4.183 0.020 . 1 . . . . A 106 THR HA . 31060 1 1097 . 1 . 1 106 106 THR HB H 1 4.008 0.020 . 1 . . . . A 106 THR HB . 31060 1 1098 . 1 . 1 106 106 THR HG21 H 1 1.129 0.020 . 1 . . . . A 106 THR HG1 . 31060 1 1099 . 1 . 1 106 106 THR HG22 H 1 1.129 0.020 . 1 . . . . A 106 THR HG1 . 31060 1 1100 . 1 . 1 106 106 THR HG23 H 1 1.129 0.020 . 1 . . . . A 106 THR HG1 . 31060 1 1101 . 1 . 1 106 106 THR C C 13 174.385 0.400 . 1 . . . . A 106 THR C . 31060 1 1102 . 1 . 1 106 106 THR CA C 13 61.993 0.400 . 1 . . . . A 106 THR CA . 31060 1 1103 . 1 . 1 106 106 THR CB C 13 69.729 0.400 . 1 . . . . A 106 THR CB . 31060 1 1104 . 1 . 1 106 106 THR N N 15 114.567 0.400 . 1 . . . . A 106 THR N . 31060 1 1105 . 1 . 1 107 107 LYS H H 1 8.255 0.020 . 1 . . . . A 107 LYS H . 31060 1 1106 . 1 . 1 107 107 LYS HA H 1 4.254 0.020 . 1 . . . . A 107 LYS HA . 31060 1 1107 . 1 . 1 107 107 LYS HB2 H 1 1.720 0.020 . 2 . . . . A 107 LYS HB2 . 31060 1 1108 . 1 . 1 107 107 LYS HD2 H 1 1.339 0.020 . 2 . . . . A 107 LYS HD2 . 31060 1 1109 . 1 . 1 107 107 LYS HE2 H 1 2.935 0.020 . 2 . . . . A 107 LYS HE2 . 31060 1 1110 . 1 . 1 107 107 LYS C C 13 176.240 0.400 . 1 . . . . A 107 LYS C . 31060 1 1111 . 1 . 1 107 107 LYS CA C 13 56.086 0.400 . 1 . . . . A 107 LYS CA . 31060 1 1112 . 1 . 1 107 107 LYS CB C 13 32.791 0.400 . 1 . . . . A 107 LYS CB . 31060 1 1113 . 1 . 1 107 107 LYS CD C 13 28.917 0.400 . 1 . . . . A 107 LYS CD . 31060 1 1114 . 1 . 1 107 107 LYS CE C 13 42.088 0.400 . 1 . . . . A 107 LYS CE . 31060 1 1115 . 1 . 1 107 107 LYS N N 15 123.754 0.400 . 1 . . . . A 107 LYS N . 31060 1 1116 . 1 . 1 108 108 LEU H H 1 8.273 0.020 . 1 . . . . A 108 LEU H . 31060 1 1117 . 1 . 1 108 108 LEU HA H 1 4.497 0.020 . 1 . . . . A 108 LEU HA . 31060 1 1118 . 1 . 1 108 108 LEU CA C 13 53.228 0.400 . 1 . . . . A 108 LEU CA . 31060 1 1119 . 1 . 1 108 108 LEU CB C 13 41.508 0.400 . 1 . . . . A 108 LEU CB . 31060 1 1120 . 1 . 1 108 108 LEU N N 15 125.260 0.400 . 1 . . . . A 108 LEU N . 31060 1 1121 . 1 . 1 109 109 PRO HA H 1 4.319 0.020 . 1 . . . . A 109 PRO HA . 31060 1 1122 . 1 . 1 109 109 PRO HB2 H 1 1.813 0.020 . 2 . . . . A 109 PRO HB2 . 31060 1 1123 . 1 . 1 109 109 PRO HD2 H 1 3.565 0.020 . 2 . . . . A 109 PRO HD2 . 31060 1 1124 . 1 . 1 109 109 PRO HD3 H 1 3.765 0.020 . 2 . . . . A 109 PRO HD3 . 31060 1 1125 . 1 . 1 109 109 PRO CA C 13 63.238 0.400 . 1 . . . . A 109 PRO CA . 31060 1 1126 . 1 . 1 109 109 PRO CB C 13 31.980 0.400 . 1 . . . . A 109 PRO CB . 31060 1 1127 . 1 . 1 109 109 PRO CD C 13 50.558 0.400 . 1 . . . . A 109 PRO CD . 31060 1 1128 . 1 . 1 110 110 GLU H H 1 8.492 0.020 . 1 . . . . A 110 GLU H . 31060 1 1129 . 1 . 1 110 110 GLU HA H 1 4.148 0.020 . 1 . . . . A 110 GLU HA . 31060 1 1130 . 1 . 1 110 110 GLU HB2 H 1 1.964 0.020 . 2 . . . . A 110 GLU HB2 . 31060 1 1131 . 1 . 1 110 110 GLU HB3 H 1 1.847 0.020 . 2 . . . . A 110 GLU HB3 . 31060 1 1132 . 1 . 1 110 110 GLU HG2 H 1 2.202 0.020 . 2 . . . . A 110 GLU HG2 . 31060 1 1133 . 1 . 1 110 110 GLU C C 13 176.375 0.400 . 1 . . . . A 110 GLU C . 31060 1 1134 . 1 . 1 110 110 GLU CA C 13 56.613 0.400 . 1 . . . . A 110 GLU CA . 31060 1 1135 . 1 . 1 110 110 GLU CB C 13 30.332 0.400 . 1 . . . . A 110 GLU CB . 31060 1 1136 . 1 . 1 110 110 GLU CG C 13 36.349 0.400 . 1 . . . . A 110 GLU CG . 31060 1 1137 . 1 . 1 110 110 GLU N N 15 120.927 0.400 . 1 . . . . A 110 GLU N . 31060 1 1138 . 1 . 1 111 111 ALA H H 1 8.322 0.020 . 1 . . . . A 111 ALA H . 31060 1 1139 . 1 . 1 111 111 ALA HA H 1 4.219 0.020 . 1 . . . . A 111 ALA HA . 31060 1 1140 . 1 . 1 111 111 ALA HB1 H 1 1.317 0.020 . 1 . . . . A 111 ALA HB1 . 31060 1 1141 . 1 . 1 111 111 ALA HB2 H 1 1.317 0.020 . 1 . . . . A 111 ALA HB2 . 31060 1 1142 . 1 . 1 111 111 ALA HB3 H 1 1.317 0.020 . 1 . . . . A 111 ALA HB3 . 31060 1 1143 . 1 . 1 111 111 ALA C C 13 177.780 0.400 . 1 . . . . A 111 ALA C . 31060 1 1144 . 1 . 1 111 111 ALA CA C 13 52.684 0.400 . 1 . . . . A 111 ALA CA . 31060 1 1145 . 1 . 1 111 111 ALA CB C 13 19.016 0.400 . 1 . . . . A 111 ALA CB . 31060 1 1146 . 1 . 1 111 111 ALA N N 15 125.538 0.400 . 1 . . . . A 111 ALA N . 31060 1 1147 . 1 . 1 112 112 LYS H H 1 8.257 0.020 . 1 . . . . A 112 LYS H . 31060 1 1148 . 1 . 1 112 112 LYS HA H 1 4.182 0.020 . 1 . . . . A 112 LYS HA . 31060 1 1149 . 1 . 1 112 112 LYS HB2 H 1 1.707 0.020 . 2 . . . . A 112 LYS HB2 . 31060 1 1150 . 1 . 1 112 112 LYS HG2 H 1 1.183 0.020 . 2 . . . . A 112 LYS HG2 . 31060 1 1151 . 1 . 1 112 112 LYS HD2 H 1 1.335 0.020 . 2 . . . . A 112 LYS HD2 . 31060 1 1152 . 1 . 1 112 112 LYS HE2 H 1 2.899 0.020 . 2 . . . . A 112 LYS HE2 . 31060 1 1153 . 1 . 1 112 112 LYS CA C 13 56.586 0.400 . 1 . . . . A 112 LYS CA . 31060 1 1154 . 1 . 1 112 112 LYS CB C 13 33.044 0.400 . 1 . . . . A 112 LYS CB . 31060 1 1155 . 1 . 1 112 112 LYS N N 15 120.526 0.400 . 1 . . . . A 112 LYS N . 31060 1 1156 . 1 . 1 113 113 GLU H H 1 8.372 0.020 . 1 . . . . A 113 GLU H . 31060 1 1157 . 1 . 1 113 113 GLU HA H 1 4.159 0.020 . 1 . . . . A 113 GLU HA . 31060 1 1158 . 1 . 1 113 113 GLU HB2 H 1 1.911 0.020 . 2 . . . . A 113 GLU HB2 . 31060 1 1159 . 1 . 1 113 113 GLU HB3 H 1 1.812 0.020 . 2 . . . . A 113 GLU HB3 . 31060 1 1160 . 1 . 1 113 113 GLU HG2 H 1 2.323 0.020 . 2 . . . . A 113 GLU HG2 . 31060 1 1161 . 1 . 1 113 113 GLU HG3 H 1 2.133 0.020 . 2 . . . . A 113 GLU HG3 . 31060 1 1162 . 1 . 1 113 113 GLU C C 13 176.306 0.400 . 1 . . . . A 113 GLU C . 31060 1 1163 . 1 . 1 113 113 GLU CA C 13 56.526 0.400 . 1 . . . . A 113 GLU CA . 31060 1 1164 . 1 . 1 113 113 GLU CB C 13 30.103 0.400 . 1 . . . . A 113 GLU CB . 31060 1 1165 . 1 . 1 113 113 GLU CG C 13 36.318 0.400 . 1 . . . . A 113 GLU CG . 31060 1 1166 . 1 . 1 113 113 GLU N N 15 121.193 0.400 . 1 . . . . A 113 GLU N . 31060 1 1167 . 1 . 1 114 114 LEU H H 1 8.148 0.020 . 1 . . . . A 114 LEU H . 31060 1 1168 . 1 . 1 114 114 LEU C C 13 172.682 0.400 . 1 . . . . A 114 LEU C . 31060 1 1169 . 1 . 1 114 114 LEU CA C 13 55.247 0.400 . 1 . . . . A 114 LEU CA . 31060 1 1170 . 1 . 1 114 114 LEU CB C 13 42.408 0.400 . 1 . . . . A 114 LEU CB . 31060 1 1171 . 1 . 1 114 114 LEU N N 15 122.781 0.400 . 1 . . . . A 114 LEU N . 31060 1 1172 . 1 . 1 115 115 HIS H H 1 8.702 0.020 . 1 . . . . A 115 HIS H . 31060 1 1173 . 1 . 1 115 115 HIS N N 15 122.365 0.400 . 1 . . . . A 115 HIS N . 31060 1 stop_ save_