data_34052 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34052 _Entry.Title ; Solution structure of CsgF in DHPC micelles ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-10-10 _Entry.Accession_date 2016-10-10 _Entry.Last_release_date 2017-10-02 _Entry.Original_release_date 2017-10-02 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_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 J. Spehr J. . . . 34052 2 T. Schubeis T. . . . 34052 3 M. Ahmed M. . . . 34052 4 C. Ritter C. . . . 34052 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Curli . 34052 'Intrinsically disordered protein' . 34052 'Type VIII secretion system' . 34052 'transport protein' . 34052 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34052 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 428 34052 '15N chemical shifts' 122 34052 '1H chemical shifts' 671 34052 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 3 . . 2018-04-17 2016-10-10 update BMRB 'update entry citation' 34052 2 . . 2017-10-16 2016-10-10 update author 'update sample buffer' 34052 1 . . 2017-10-05 2016-10-10 original author 'original release' 34052 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5M1U 'BMRB Entry Tracking System' 34052 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34052 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1002/1873-3468.13002 _Citation.PubMed_ID 29427517 _Citation.Full_citation . _Citation.Title ; Structural and functional characterization of the Curli adaptor protein CsgF. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full 'FEBS letters' _Citation.Journal_volume 592 _Citation.Journal_issue 6 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1873-3468 _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 1020 _Citation.Page_last 1029 _Citation.Year 2018 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Tobias Schubeis T. . . . 34052 1 2 Johannes Spehr J. . . . 34052 1 3 Janika Viereck J. . . . 34052 1 4 Laura Kopping L. . . . 34052 1 5 Madhu Nagaraj M. . . . 34052 1 6 Mumdooh Ahmed M. . . . 34052 1 7 Christiane Ritter C. . . . 34052 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34052 _Assembly.ID 1 _Assembly.Name 'Curli production assembly/transport component CsgF' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34052 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34052 _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 ; MAGTMTFQFRNPNFGGNPNN GAFLLNSAQAQNSYKDPSYN DDFGIETPSALDNFTQAIQS QILGGLLSNINTGKPGRMVT NDYIVDIANRDGQLQLNVTD RKTGQTSTIQVSGLQNNSTD FHHHHHH ; _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 127 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13947.131 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 34052 1 2 . ALA . 34052 1 3 . GLY . 34052 1 4 . THR . 34052 1 5 . MET . 34052 1 6 . THR . 34052 1 7 . PHE . 34052 1 8 . GLN . 34052 1 9 . PHE . 34052 1 10 . ARG . 34052 1 11 . ASN . 34052 1 12 . PRO . 34052 1 13 . ASN . 34052 1 14 . PHE . 34052 1 15 . GLY . 34052 1 16 . GLY . 34052 1 17 . ASN . 34052 1 18 . PRO . 34052 1 19 . ASN . 34052 1 20 . ASN . 34052 1 21 . GLY . 34052 1 22 . ALA . 34052 1 23 . PHE . 34052 1 24 . LEU . 34052 1 25 . LEU . 34052 1 26 . ASN . 34052 1 27 . SER . 34052 1 28 . ALA . 34052 1 29 . GLN . 34052 1 30 . ALA . 34052 1 31 . GLN . 34052 1 32 . ASN . 34052 1 33 . SER . 34052 1 34 . TYR . 34052 1 35 . LYS . 34052 1 36 . ASP . 34052 1 37 . PRO . 34052 1 38 . SER . 34052 1 39 . TYR . 34052 1 40 . ASN . 34052 1 41 . ASP . 34052 1 42 . ASP . 34052 1 43 . PHE . 34052 1 44 . GLY . 34052 1 45 . ILE . 34052 1 46 . GLU . 34052 1 47 . THR . 34052 1 48 . PRO . 34052 1 49 . SER . 34052 1 50 . ALA . 34052 1 51 . LEU . 34052 1 52 . ASP . 34052 1 53 . ASN . 34052 1 54 . PHE . 34052 1 55 . THR . 34052 1 56 . GLN . 34052 1 57 . ALA . 34052 1 58 . ILE . 34052 1 59 . GLN . 34052 1 60 . SER . 34052 1 61 . GLN . 34052 1 62 . ILE . 34052 1 63 . LEU . 34052 1 64 . GLY . 34052 1 65 . GLY . 34052 1 66 . LEU . 34052 1 67 . LEU . 34052 1 68 . SER . 34052 1 69 . ASN . 34052 1 70 . ILE . 34052 1 71 . ASN . 34052 1 72 . THR . 34052 1 73 . GLY . 34052 1 74 . LYS . 34052 1 75 . PRO . 34052 1 76 . GLY . 34052 1 77 . ARG . 34052 1 78 . MET . 34052 1 79 . VAL . 34052 1 80 . THR . 34052 1 81 . ASN . 34052 1 82 . ASP . 34052 1 83 . TYR . 34052 1 84 . ILE . 34052 1 85 . VAL . 34052 1 86 . ASP . 34052 1 87 . ILE . 34052 1 88 . ALA . 34052 1 89 . ASN . 34052 1 90 . ARG . 34052 1 91 . ASP . 34052 1 92 . GLY . 34052 1 93 . GLN . 34052 1 94 . LEU . 34052 1 95 . GLN . 34052 1 96 . LEU . 34052 1 97 . ASN . 34052 1 98 . VAL . 34052 1 99 . THR . 34052 1 100 . ASP . 34052 1 101 . ARG . 34052 1 102 . LYS . 34052 1 103 . THR . 34052 1 104 . GLY . 34052 1 105 . GLN . 34052 1 106 . THR . 34052 1 107 . SER . 34052 1 108 . THR . 34052 1 109 . ILE . 34052 1 110 . GLN . 34052 1 111 . VAL . 34052 1 112 . SER . 34052 1 113 . GLY . 34052 1 114 . LEU . 34052 1 115 . GLN . 34052 1 116 . ASN . 34052 1 117 . ASN . 34052 1 118 . SER . 34052 1 119 . THR . 34052 1 120 . ASP . 34052 1 121 . PHE . 34052 1 122 . HIS . 34052 1 123 . HIS . 34052 1 124 . HIS . 34052 1 125 . HIS . 34052 1 126 . HIS . 34052 1 127 . HIS . 34052 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 34052 1 . ALA 2 2 34052 1 . GLY 3 3 34052 1 . THR 4 4 34052 1 . MET 5 5 34052 1 . THR 6 6 34052 1 . PHE 7 7 34052 1 . GLN 8 8 34052 1 . PHE 9 9 34052 1 . ARG 10 10 34052 1 . ASN 11 11 34052 1 . PRO 12 12 34052 1 . ASN 13 13 34052 1 . PHE 14 14 34052 1 . GLY 15 15 34052 1 . GLY 16 16 34052 1 . ASN 17 17 34052 1 . PRO 18 18 34052 1 . ASN 19 19 34052 1 . ASN 20 20 34052 1 . GLY 21 21 34052 1 . ALA 22 22 34052 1 . PHE 23 23 34052 1 . LEU 24 24 34052 1 . LEU 25 25 34052 1 . ASN 26 26 34052 1 . SER 27 27 34052 1 . ALA 28 28 34052 1 . GLN 29 29 34052 1 . ALA 30 30 34052 1 . GLN 31 31 34052 1 . ASN 32 32 34052 1 . SER 33 33 34052 1 . TYR 34 34 34052 1 . LYS 35 35 34052 1 . ASP 36 36 34052 1 . PRO 37 37 34052 1 . SER 38 38 34052 1 . TYR 39 39 34052 1 . ASN 40 40 34052 1 . ASP 41 41 34052 1 . ASP 42 42 34052 1 . PHE 43 43 34052 1 . GLY 44 44 34052 1 . ILE 45 45 34052 1 . GLU 46 46 34052 1 . THR 47 47 34052 1 . PRO 48 48 34052 1 . SER 49 49 34052 1 . ALA 50 50 34052 1 . LEU 51 51 34052 1 . ASP 52 52 34052 1 . ASN 53 53 34052 1 . PHE 54 54 34052 1 . THR 55 55 34052 1 . GLN 56 56 34052 1 . ALA 57 57 34052 1 . ILE 58 58 34052 1 . GLN 59 59 34052 1 . SER 60 60 34052 1 . GLN 61 61 34052 1 . ILE 62 62 34052 1 . LEU 63 63 34052 1 . GLY 64 64 34052 1 . GLY 65 65 34052 1 . LEU 66 66 34052 1 . LEU 67 67 34052 1 . SER 68 68 34052 1 . ASN 69 69 34052 1 . ILE 70 70 34052 1 . ASN 71 71 34052 1 . THR 72 72 34052 1 . GLY 73 73 34052 1 . LYS 74 74 34052 1 . PRO 75 75 34052 1 . GLY 76 76 34052 1 . ARG 77 77 34052 1 . MET 78 78 34052 1 . VAL 79 79 34052 1 . THR 80 80 34052 1 . ASN 81 81 34052 1 . ASP 82 82 34052 1 . TYR 83 83 34052 1 . ILE 84 84 34052 1 . VAL 85 85 34052 1 . ASP 86 86 34052 1 . ILE 87 87 34052 1 . ALA 88 88 34052 1 . ASN 89 89 34052 1 . ARG 90 90 34052 1 . ASP 91 91 34052 1 . GLY 92 92 34052 1 . GLN 93 93 34052 1 . LEU 94 94 34052 1 . GLN 95 95 34052 1 . LEU 96 96 34052 1 . ASN 97 97 34052 1 . VAL 98 98 34052 1 . THR 99 99 34052 1 . ASP 100 100 34052 1 . ARG 101 101 34052 1 . LYS 102 102 34052 1 . THR 103 103 34052 1 . GLY 104 104 34052 1 . GLN 105 105 34052 1 . THR 106 106 34052 1 . SER 107 107 34052 1 . THR 108 108 34052 1 . ILE 109 109 34052 1 . GLN 110 110 34052 1 . VAL 111 111 34052 1 . SER 112 112 34052 1 . GLY 113 113 34052 1 . LEU 114 114 34052 1 . GLN 115 115 34052 1 . ASN 116 116 34052 1 . ASN 117 117 34052 1 . SER 118 118 34052 1 . THR 119 119 34052 1 . ASP 120 120 34052 1 . PHE 121 121 34052 1 . HIS 122 122 34052 1 . HIS 123 123 34052 1 . HIS 124 124 34052 1 . HIS 125 125 34052 1 . HIS 126 126 34052 1 . HIS 127 127 34052 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 34052 _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 . 83333 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli K12 . . . . . . . . . . 'csgF, b1038, JW1021' . 34052 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 34052 _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 . . . . . . pET11d . . . 34052 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34052 _Sample.ID 1 _Sample.Type micelle _Sample.Sub_type . _Sample.Details '400 uM [U-13C; U-15N] CsgF, 94% H2O/6% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 CsgF '[U-13C; U-15N]' . . 1 $entity_1 . . 400 . . uM . . . . 34052 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 34052 1 3 DHPC 'natural abundance' . . . . . . 100 . . mM . . . . 34052 1 4 NaN3 'natural abundance' . . . . . . 0.05 . . % . . . . 34052 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 34052 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 34052 1 pH 6.5 . pH 34052 1 pressure 1 . atm 34052 1 temperature 310 . K 34052 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 34052 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 34052 2 pH 6.5 . pH 34052 2 pressure 1 . atm 34052 2 temperature 310 . K 34052 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34052 _Software.ID 1 _Software.Type . _Software.Name CANDID _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 34052 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34052 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34052 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34052 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34052 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34052 _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' . . 34052 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34052 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34052 _Software.ID 4 _Software.Type . _Software.Name PROSA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Guntert . . 34052 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 34052 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34052 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34052 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceIII . 600 . . . 34052 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 34052 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34052 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34052 1 3 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34052 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34052 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34052 1 6 '3D HCC(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34052 1 7 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34052 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34052 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34052 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34052 1 11 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34052 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34052 1 13 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34052 1 14 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34052 1 15 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34052 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 34052 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 external indirect 0.25144953 . . . . . 34052 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 external direct 1.0 . . . . . 34052 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 external indirect 0.10132912 . . . . . 34052 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 34052 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34052 1 2 '3D HNCO' . . . 34052 1 3 '3D HN(CA)CO' . . . 34052 1 4 '3D CBCA(CO)NH' . . . 34052 1 5 '3D HNCACB' . . . 34052 1 6 '3D HCC(CO)NH' . . . 34052 1 7 '3D 1H-13C NOESY aliphatic' . . . 34052 1 8 '3D 1H-15N NOESY' . . . 34052 1 9 '3D 1H-15N TOCSY' . . . 34052 1 10 '2D 1H-15N HSQC' . . . 34052 1 11 '2D 1H-13C HSQC' . . . 34052 1 12 '3D 1H-13C NOESY aliphatic' . . . 34052 1 13 '3D 1H-13C NOESY aromatic' . . . 34052 1 14 '2D 1H-13C HSQC aromatic' . . . 34052 1 15 '3D HCCH-TOCSY' . . . 34052 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 THR H H 1 8.192 0.020 . 1 . . . . A 4 THR H . 34052 1 2 . 1 1 4 4 THR HA H 1 4.383 0.020 . 1 . . . . A 4 THR HA . 34052 1 3 . 1 1 4 4 THR C C 13 174.869 0.3 . 1 . . . . A 4 THR C . 34052 1 4 . 1 1 4 4 THR CA C 13 62.466 0.3 . 1 . . . . A 4 THR CA . 34052 1 5 . 1 1 4 4 THR CB C 13 70.187 0.3 . 1 . . . . A 4 THR CB . 34052 1 6 . 1 1 4 4 THR N N 15 114.070 0.3 . 1 . . . . A 4 THR N . 34052 1 7 . 1 1 5 5 MET H H 1 8.486 0.020 . 1 . . . . A 5 MET H . 34052 1 8 . 1 1 5 5 MET HA H 1 4.567 0.020 . 1 . . . . A 5 MET HA . 34052 1 9 . 1 1 5 5 MET HB2 H 1 2.015 0.020 . 1 . . . . A 5 MET HB2 . 34052 1 10 . 1 1 5 5 MET HB3 H 1 2.015 0.020 . 1 . . . . A 5 MET HB3 . 34052 1 11 . 1 1 5 5 MET HG2 H 1 2.538 0.020 . 2 . . . . A 5 MET HG2 . 34052 1 12 . 1 1 5 5 MET HG3 H 1 2.486 0.020 . 2 . . . . A 5 MET HG3 . 34052 1 13 . 1 1 5 5 MET C C 13 176.003 0.3 . 1 . . . . A 5 MET C . 34052 1 14 . 1 1 5 5 MET CA C 13 55.871 0.3 . 1 . . . . A 5 MET CA . 34052 1 15 . 1 1 5 5 MET CB C 13 33.447 0.3 . 1 . . . . A 5 MET CB . 34052 1 16 . 1 1 5 5 MET CG C 13 32.400 0.3 . 1 . . . . A 5 MET CG . 34052 1 17 . 1 1 5 5 MET N N 15 122.848 0.3 . 1 . . . . A 5 MET N . 34052 1 18 . 1 1 6 6 THR H H 1 8.124 0.020 . 1 . . . . A 6 THR H . 34052 1 19 . 1 1 6 6 THR HA H 1 4.364 0.020 . 1 . . . . A 6 THR HA . 34052 1 20 . 1 1 6 6 THR HB H 1 4.107 0.020 . 1 . . . . A 6 THR HB . 34052 1 21 . 1 1 6 6 THR HG21 H 1 1.125 0.020 . 1 . . . . A 6 THR HG21 . 34052 1 22 . 1 1 6 6 THR HG22 H 1 1.125 0.020 . 1 . . . . A 6 THR HG22 . 34052 1 23 . 1 1 6 6 THR HG23 H 1 1.125 0.020 . 1 . . . . A 6 THR HG23 . 34052 1 24 . 1 1 6 6 THR C C 13 174.177 0.3 . 1 . . . . A 6 THR C . 34052 1 25 . 1 1 6 6 THR CA C 13 62.089 0.3 . 1 . . . . A 6 THR CA . 34052 1 26 . 1 1 6 6 THR CB C 13 70.293 0.3 . 1 . . . . A 6 THR CB . 34052 1 27 . 1 1 6 6 THR CG2 C 13 21.824 0.3 . 1 . . . . A 6 THR CG2 . 34052 1 28 . 1 1 6 6 THR N N 15 115.401 0.3 . 1 . . . . A 6 THR N . 34052 1 29 . 1 1 7 7 PHE H H 1 8.237 0.020 . 1 . . . . A 7 PHE H . 34052 1 30 . 1 1 7 7 PHE HB2 H 1 2.986 0.020 . 2 . . . . A 7 PHE HB2 . 34052 1 31 . 1 1 7 7 PHE HB3 H 1 2.945 0.020 . 2 . . . . A 7 PHE HB3 . 34052 1 32 . 1 1 7 7 PHE C C 13 175.208 0.3 . 1 . . . . A 7 PHE C . 34052 1 33 . 1 1 7 7 PHE CA C 13 57.895 0.3 . 1 . . . . A 7 PHE CA . 34052 1 34 . 1 1 7 7 PHE CB C 13 40.072 0.3 . 1 . . . . A 7 PHE CB . 34052 1 35 . 1 1 7 7 PHE N N 15 121.882 0.3 . 1 . . . . A 7 PHE N . 34052 1 36 . 1 1 8 8 GLN H H 1 8.183 0.020 . 1 . . . . A 8 GLN H . 34052 1 37 . 1 1 8 8 GLN HA H 1 4.356 0.020 . 1 . . . . A 8 GLN HA . 34052 1 38 . 1 1 8 8 GLN HB2 H 1 1.943 0.020 . 2 . . . . A 8 GLN HB2 . 34052 1 39 . 1 1 8 8 GLN HB3 H 1 1.845 0.020 . 2 . . . . A 8 GLN HB3 . 34052 1 40 . 1 1 8 8 GLN HG2 H 1 2.192 0.020 . 1 . . . . A 8 GLN HG2 . 34052 1 41 . 1 1 8 8 GLN HG3 H 1 2.192 0.020 . 1 . . . . A 8 GLN HG3 . 34052 1 42 . 1 1 8 8 GLN CA C 13 55.584 0.3 . 1 . . . . A 8 GLN CA . 34052 1 43 . 1 1 8 8 GLN CB C 13 30.283 0.3 . 1 . . . . A 8 GLN CB . 34052 1 44 . 1 1 8 8 GLN CG C 13 34.031 0.3 . 1 . . . . A 8 GLN CG . 34052 1 45 . 1 1 8 8 GLN N N 15 121.444 0.3 . 1 . . . . A 8 GLN N . 34052 1 46 . 1 1 9 9 PHE H H 1 8.194 0.020 . 1 . . . . A 9 PHE H . 34052 1 47 . 1 1 9 9 PHE C C 13 175.443 0.3 . 1 . . . . A 9 PHE C . 34052 1 48 . 1 1 9 9 PHE CA C 13 57.968 0.3 . 1 . . . . A 9 PHE CA . 34052 1 49 . 1 1 9 9 PHE CB C 13 39.891 0.3 . 1 . . . . A 9 PHE CB . 34052 1 50 . 1 1 9 9 PHE N N 15 121.074 0.3 . 1 . . . . A 9 PHE N . 34052 1 51 . 1 1 10 10 ARG H H 1 8.159 0.020 . 1 . . . . A 10 ARG H . 34052 1 52 . 1 1 10 10 ARG HA H 1 4.322 0.020 . 1 . . . . A 10 ARG HA . 34052 1 53 . 1 1 10 10 ARG HB2 H 1 1.780 0.020 . 2 . . . . A 10 ARG HB2 . 34052 1 54 . 1 1 10 10 ARG HB3 H 1 1.687 0.020 . 2 . . . . A 10 ARG HB3 . 34052 1 55 . 1 1 10 10 ARG HG2 H 1 1.520 0.020 . 1 . . . . A 10 ARG HG2 . 34052 1 56 . 1 1 10 10 ARG HG3 H 1 1.520 0.020 . 1 . . . . A 10 ARG HG3 . 34052 1 57 . 1 1 10 10 ARG HD2 H 1 3.129 0.020 . 1 . . . . A 10 ARG HD2 . 34052 1 58 . 1 1 10 10 ARG HD3 H 1 3.129 0.020 . 1 . . . . A 10 ARG HD3 . 34052 1 59 . 1 1 10 10 ARG C C 13 175.369 0.3 . 1 . . . . A 10 ARG C . 34052 1 60 . 1 1 10 10 ARG CA C 13 55.743 0.3 . 1 . . . . A 10 ARG CA . 34052 1 61 . 1 1 10 10 ARG CB C 13 31.504 0.3 . 1 . . . . A 10 ARG CB . 34052 1 62 . 1 1 10 10 ARG N N 15 121.505 0.3 . 1 . . . . A 10 ARG N . 34052 1 63 . 1 1 11 11 ASN H H 1 8.360 0.020 . 1 . . . . A 11 ASN H . 34052 1 64 . 1 1 11 11 ASN CA C 13 51.460 0.3 . 1 . . . . A 11 ASN CA . 34052 1 65 . 1 1 11 11 ASN CB C 13 38.700 0.3 . 1 . . . . A 11 ASN CB . 34052 1 66 . 1 1 11 11 ASN N N 15 120.820 0.3 . 1 . . . . A 11 ASN N . 34052 1 67 . 1 1 13 13 ASN H H 1 8.296 0.020 . 1 . . . . A 13 ASN H . 34052 1 68 . 1 1 13 13 ASN HA H 1 4.682 0.020 . 1 . . . . A 13 ASN HA . 34052 1 69 . 1 1 13 13 ASN HB2 H 1 2.654 0.020 . 2 . . . . A 13 ASN HB2 . 34052 1 70 . 1 1 13 13 ASN HB3 H 1 2.789 0.020 . 2 . . . . A 13 ASN HB3 . 34052 1 71 . 1 1 13 13 ASN C C 13 175.292 0.3 . 1 . . . . A 13 ASN C . 34052 1 72 . 1 1 13 13 ASN CA C 13 53.557 0.3 . 1 . . . . A 13 ASN CA . 34052 1 73 . 1 1 13 13 ASN CB C 13 39.006 0.3 . 1 . . . . A 13 ASN CB . 34052 1 74 . 1 1 13 13 ASN N N 15 117.249 0.3 . 1 . . . . A 13 ASN N . 34052 1 75 . 1 1 14 14 PHE H H 1 8.025 0.020 . 1 . . . . A 14 PHE H . 34052 1 76 . 1 1 14 14 PHE HA H 1 4.665 0.020 . 1 . . . . A 14 PHE HA . 34052 1 77 . 1 1 14 14 PHE HB2 H 1 3.209 0.020 . 2 . . . . A 14 PHE HB2 . 34052 1 78 . 1 1 14 14 PHE HB3 H 1 3.069 0.020 . 2 . . . . A 14 PHE HB3 . 34052 1 79 . 1 1 14 14 PHE C C 13 176.397 0.3 . 1 . . . . A 14 PHE C . 34052 1 80 . 1 1 14 14 PHE CA C 13 58.257 0.3 . 1 . . . . A 14 PHE CA . 34052 1 81 . 1 1 14 14 PHE CB C 13 39.385 0.3 . 1 . . . . A 14 PHE CB . 34052 1 82 . 1 1 14 14 PHE N N 15 120.322 0.3 . 1 . . . . A 14 PHE N . 34052 1 83 . 1 1 15 15 GLY H H 1 8.290 0.020 . 1 . . . . A 15 GLY H . 34052 1 84 . 1 1 15 15 GLY C C 13 174.690 0.3 . 1 . . . . A 15 GLY C . 34052 1 85 . 1 1 15 15 GLY CA C 13 45.599 0.3 . 1 . . . . A 15 GLY CA . 34052 1 86 . 1 1 15 15 GLY N N 15 110.287 0.3 . 1 . . . . A 15 GLY N . 34052 1 87 . 1 1 16 16 GLY H H 1 7.849 0.020 . 1 . . . . A 16 GLY H . 34052 1 88 . 1 1 16 16 GLY HA2 H 1 3.917 0.020 . 1 . . . . A 16 GLY HA2 . 34052 1 89 . 1 1 16 16 GLY HA3 H 1 3.917 0.020 . 1 . . . . A 16 GLY HA3 . 34052 1 90 . 1 1 16 16 GLY C C 13 173.682 0.3 . 1 . . . . A 16 GLY C . 34052 1 91 . 1 1 16 16 GLY CA C 13 45.314 0.3 . 1 . . . . A 16 GLY CA . 34052 1 92 . 1 1 16 16 GLY N N 15 107.728 0.3 . 1 . . . . A 16 GLY N . 34052 1 93 . 1 1 17 17 ASN H H 1 8.279 0.020 . 1 . . . . A 17 ASN H . 34052 1 94 . 1 1 17 17 ASN HA H 1 4.992 0.020 . 1 . . . . A 17 ASN HA . 34052 1 95 . 1 1 17 17 ASN HB2 H 1 2.863 0.020 . 2 . . . . A 17 ASN HB2 . 34052 1 96 . 1 1 17 17 ASN HB3 H 1 2.690 0.020 . 2 . . . . A 17 ASN HB3 . 34052 1 97 . 1 1 17 17 ASN CA C 13 51.435 0.3 . 1 . . . . A 17 ASN CA . 34052 1 98 . 1 1 17 17 ASN CB C 13 39.326 0.3 . 1 . . . . A 17 ASN CB . 34052 1 99 . 1 1 17 17 ASN N N 15 119.267 0.3 . 1 . . . . A 17 ASN N . 34052 1 100 . 1 1 18 18 PRO HA H 1 4.378 0.020 . 1 . . . . A 18 PRO HA . 34052 1 101 . 1 1 18 18 PRO HB2 H 1 1.839 0.020 . 2 . . . . A 18 PRO HB2 . 34052 1 102 . 1 1 18 18 PRO HB3 H 1 2.199 0.020 . 2 . . . . A 18 PRO HB3 . 34052 1 103 . 1 1 18 18 PRO HG2 H 1 1.987 0.020 . 2 . . . . A 18 PRO HG2 . 34052 1 104 . 1 1 18 18 PRO HG3 H 1 1.972 0.020 . 2 . . . . A 18 PRO HG3 . 34052 1 105 . 1 1 18 18 PRO HD2 H 1 3.750 0.020 . 2 . . . . A 18 PRO HD2 . 34052 1 106 . 1 1 18 18 PRO HD3 H 1 3.815 0.020 . 2 . . . . A 18 PRO HD3 . 34052 1 107 . 1 1 18 18 PRO CA C 13 64.114 0.3 . 1 . . . . A 18 PRO CA . 34052 1 108 . 1 1 18 18 PRO CB C 13 32.230 0.3 . 1 . . . . A 18 PRO CB . 34052 1 109 . 1 1 18 18 PRO CG C 13 27.353 0.3 . 1 . . . . A 18 PRO CG . 34052 1 110 . 1 1 18 18 PRO CD C 13 50.913 0.3 . 1 . . . . A 18 PRO CD . 34052 1 111 . 1 1 19 19 ASN H H 1 8.327 0.020 . 1 . . . . A 19 ASN H . 34052 1 112 . 1 1 19 19 ASN HB2 H 1 2.858 0.020 . 2 . . . . A 19 ASN HB2 . 34052 1 113 . 1 1 19 19 ASN HB3 H 1 2.761 0.020 . 2 . . . . A 19 ASN HB3 . 34052 1 114 . 1 1 19 19 ASN C C 13 175.465 0.3 . 1 . . . . A 19 ASN C . 34052 1 115 . 1 1 19 19 ASN CA C 13 53.702 0.3 . 1 . . . . A 19 ASN CA . 34052 1 116 . 1 1 19 19 ASN CB C 13 38.879 0.3 . 1 . . . . A 19 ASN CB . 34052 1 117 . 1 1 19 19 ASN N N 15 118.006 0.3 . 1 . . . . A 19 ASN N . 34052 1 118 . 1 1 20 20 ASN H H 1 8.191 0.020 . 1 . . . . A 20 ASN H . 34052 1 119 . 1 1 20 20 ASN HB2 H 1 2.846 0.020 . 1 . . . . A 20 ASN HB2 . 34052 1 120 . 1 1 20 20 ASN HB3 H 1 2.846 0.020 . 1 . . . . A 20 ASN HB3 . 34052 1 121 . 1 1 20 20 ASN C C 13 176.037 0.3 . 1 . . . . A 20 ASN C . 34052 1 122 . 1 1 20 20 ASN CA C 13 53.863 0.3 . 1 . . . . A 20 ASN CA . 34052 1 123 . 1 1 20 20 ASN CB C 13 39.096 0.3 . 1 . . . . A 20 ASN CB . 34052 1 124 . 1 1 20 20 ASN N N 15 118.585 0.3 . 1 . . . . A 20 ASN N . 34052 1 125 . 1 1 21 21 GLY H H 1 8.336 0.020 . 1 . . . . A 21 GLY H . 34052 1 126 . 1 1 21 21 GLY HA2 H 1 3.899 0.020 . 1 . . . . A 21 GLY HA2 . 34052 1 127 . 1 1 21 21 GLY HA3 H 1 3.899 0.020 . 1 . . . . A 21 GLY HA3 . 34052 1 128 . 1 1 21 21 GLY C C 13 174.300 0.3 . 1 . . . . A 21 GLY C . 34052 1 129 . 1 1 21 21 GLY CA C 13 45.897 0.3 . 1 . . . . A 21 GLY CA . 34052 1 130 . 1 1 21 21 GLY N N 15 108.617 0.3 . 1 . . . . A 21 GLY N . 34052 1 131 . 1 1 22 22 ALA H H 1 7.994 0.020 . 1 . . . . A 22 ALA H . 34052 1 132 . 1 1 22 22 ALA HA H 1 4.260 0.020 . 1 . . . . A 22 ALA HA . 34052 1 133 . 1 1 22 22 ALA HB1 H 1 1.302 0.020 . 1 . . . . A 22 ALA HB1 . 34052 1 134 . 1 1 22 22 ALA HB2 H 1 1.302 0.020 . 1 . . . . A 22 ALA HB2 . 34052 1 135 . 1 1 22 22 ALA HB3 H 1 1.302 0.020 . 1 . . . . A 22 ALA HB3 . 34052 1 136 . 1 1 22 22 ALA C C 13 177.816 0.3 . 1 . . . . A 22 ALA C . 34052 1 137 . 1 1 22 22 ALA CA C 13 53.113 0.3 . 1 . . . . A 22 ALA CA . 34052 1 138 . 1 1 22 22 ALA CB C 13 19.346 0.3 . 1 . . . . A 22 ALA CB . 34052 1 139 . 1 1 22 22 ALA N N 15 122.999 0.3 . 1 . . . . A 22 ALA N . 34052 1 140 . 1 1 23 23 PHE H H 1 8.068 0.020 . 1 . . . . A 23 PHE H . 34052 1 141 . 1 1 23 23 PHE HA H 1 4.596 0.020 . 1 . . . . A 23 PHE HA . 34052 1 142 . 1 1 23 23 PHE HB2 H 1 3.162 0.020 . 2 . . . . A 23 PHE HB2 . 34052 1 143 . 1 1 23 23 PHE HB3 H 1 3.082 0.020 . 2 . . . . A 23 PHE HB3 . 34052 1 144 . 1 1 23 23 PHE C C 13 175.899 0.3 . 1 . . . . A 23 PHE C . 34052 1 145 . 1 1 23 23 PHE CA C 13 58.257 0.3 . 1 . . . . A 23 PHE CA . 34052 1 146 . 1 1 23 23 PHE CB C 13 39.602 0.3 . 1 . . . . A 23 PHE CB . 34052 1 147 . 1 1 23 23 PHE N N 15 118.035 0.3 . 1 . . . . A 23 PHE N . 34052 1 148 . 1 1 24 24 LEU H H 1 7.969 0.020 . 1 . . . . A 24 LEU H . 34052 1 149 . 1 1 24 24 LEU HA H 1 4.301 0.020 . 1 . . . . A 24 LEU HA . 34052 1 150 . 1 1 24 24 LEU HB2 H 1 1.544 0.020 . 1 . . . . A 24 LEU HB2 . 34052 1 151 . 1 1 24 24 LEU HB3 H 1 1.544 0.020 . 1 . . . . A 24 LEU HB3 . 34052 1 152 . 1 1 24 24 LEU HG H 1 1.516 0.020 . 1 . . . . A 24 LEU HG . 34052 1 153 . 1 1 24 24 LEU HD11 H 1 0.898 0.020 . 2 . . . . A 24 LEU HD11 . 34052 1 154 . 1 1 24 24 LEU HD12 H 1 0.898 0.020 . 2 . . . . A 24 LEU HD12 . 34052 1 155 . 1 1 24 24 LEU HD13 H 1 0.898 0.020 . 2 . . . . A 24 LEU HD13 . 34052 1 156 . 1 1 24 24 LEU HD21 H 1 0.850 0.020 . 2 . . . . A 24 LEU HD21 . 34052 1 157 . 1 1 24 24 LEU HD22 H 1 0.850 0.020 . 2 . . . . A 24 LEU HD22 . 34052 1 158 . 1 1 24 24 LEU HD23 H 1 0.850 0.020 . 2 . . . . A 24 LEU HD23 . 34052 1 159 . 1 1 24 24 LEU C C 13 177.241 0.3 . 1 . . . . A 24 LEU C . 34052 1 160 . 1 1 24 24 LEU CA C 13 55.654 0.3 . 1 . . . . A 24 LEU CA . 34052 1 161 . 1 1 24 24 LEU CB C 13 42.669 0.3 . 1 . . . . A 24 LEU CB . 34052 1 162 . 1 1 24 24 LEU CG C 13 27.112 0.3 . 1 . . . . A 24 LEU CG . 34052 1 163 . 1 1 24 24 LEU CD1 C 13 25.250 0.3 . 1 . . . . A 24 LEU CD1 . 34052 1 164 . 1 1 24 24 LEU CD2 C 13 23.968 0.3 . 1 . . . . A 24 LEU CD2 . 34052 1 165 . 1 1 24 24 LEU N N 15 122.059 0.3 . 1 . . . . A 24 LEU N . 34052 1 166 . 1 1 25 25 LEU H H 1 7.993 0.020 . 1 . . . . A 25 LEU H . 34052 1 167 . 1 1 25 25 LEU HA H 1 4.309 0.020 . 1 . . . . A 25 LEU HA . 34052 1 168 . 1 1 25 25 LEU HB2 H 1 1.622 0.020 . 1 . . . . A 25 LEU HB2 . 34052 1 169 . 1 1 25 25 LEU HB3 H 1 1.622 0.020 . 1 . . . . A 25 LEU HB3 . 34052 1 170 . 1 1 25 25 LEU HG H 1 1.624 0.020 . 1 . . . . A 25 LEU HG . 34052 1 171 . 1 1 25 25 LEU C C 13 177.314 0.3 . 1 . . . . A 25 LEU C . 34052 1 172 . 1 1 25 25 LEU CA C 13 55.654 0.3 . 1 . . . . A 25 LEU CA . 34052 1 173 . 1 1 25 25 LEU CB C 13 42.566 0.3 . 1 . . . . A 25 LEU CB . 34052 1 174 . 1 1 25 25 LEU CG C 13 27.323 0.3 . 1 . . . . A 25 LEU CG . 34052 1 175 . 1 1 25 25 LEU N N 15 121.173 0.3 . 1 . . . . A 25 LEU N . 34052 1 176 . 1 1 26 26 ASN H H 1 8.271 0.020 . 1 . . . . A 26 ASN H . 34052 1 177 . 1 1 26 26 ASN C C 13 175.823 0.3 . 1 . . . . A 26 ASN C . 34052 1 178 . 1 1 26 26 ASN CA C 13 53.609 0.3 . 1 . . . . A 26 ASN CA . 34052 1 179 . 1 1 26 26 ASN CB C 13 39.115 0.3 . 1 . . . . A 26 ASN CB . 34052 1 180 . 1 1 26 26 ASN N N 15 118.507 0.3 . 1 . . . . A 26 ASN N . 34052 1 181 . 1 1 27 27 SER H H 1 8.181 0.020 . 1 . . . . A 27 SER H . 34052 1 182 . 1 1 27 27 SER HA H 1 4.393 0.020 . 1 . . . . A 27 SER HA . 34052 1 183 . 1 1 27 27 SER HB2 H 1 3.855 0.020 . 1 . . . . A 27 SER HB2 . 34052 1 184 . 1 1 27 27 SER HB3 H 1 3.855 0.020 . 1 . . . . A 27 SER HB3 . 34052 1 185 . 1 1 27 27 SER C C 13 174.965 0.3 . 1 . . . . A 27 SER C . 34052 1 186 . 1 1 27 27 SER CA C 13 59.269 0.3 . 1 . . . . A 27 SER CA . 34052 1 187 . 1 1 27 27 SER CB C 13 64.041 0.3 . 1 . . . . A 27 SER CB . 34052 1 188 . 1 1 27 27 SER N N 15 115.881 0.3 . 1 . . . . A 27 SER N . 34052 1 189 . 1 1 28 28 ALA H H 1 8.256 0.020 . 1 . . . . A 28 ALA H . 34052 1 190 . 1 1 28 28 ALA HA H 1 4.301 0.020 . 1 . . . . A 28 ALA HA . 34052 1 191 . 1 1 28 28 ALA HB1 H 1 1.424 0.020 . 1 . . . . A 28 ALA HB1 . 34052 1 192 . 1 1 28 28 ALA HB2 H 1 1.424 0.020 . 1 . . . . A 28 ALA HB2 . 34052 1 193 . 1 1 28 28 ALA HB3 H 1 1.424 0.020 . 1 . . . . A 28 ALA HB3 . 34052 1 194 . 1 1 28 28 ALA C C 13 178.289 0.3 . 1 . . . . A 28 ALA C . 34052 1 195 . 1 1 28 28 ALA CA C 13 53.299 0.3 . 1 . . . . A 28 ALA CA . 34052 1 196 . 1 1 28 28 ALA CB C 13 19.224 0.3 . 1 . . . . A 28 ALA CB . 34052 1 197 . 1 1 28 28 ALA N N 15 125.235 0.3 . 1 . . . . A 28 ALA N . 34052 1 198 . 1 1 29 29 GLN H H 1 8.122 0.020 . 1 . . . . A 29 GLN H . 34052 1 199 . 1 1 29 29 GLN HA H 1 4.315 0.020 . 1 . . . . A 29 GLN HA . 34052 1 200 . 1 1 29 29 GLN HB2 H 1 2.131 0.020 . 2 . . . . A 29 GLN HB2 . 34052 1 201 . 1 1 29 29 GLN HB3 H 1 2.001 0.020 . 2 . . . . A 29 GLN HB3 . 34052 1 202 . 1 1 29 29 GLN HG2 H 1 2.373 0.020 . 1 . . . . A 29 GLN HG2 . 34052 1 203 . 1 1 29 29 GLN HG3 H 1 2.373 0.020 . 1 . . . . A 29 GLN HG3 . 34052 1 204 . 1 1 29 29 GLN C C 13 176.395 0.3 . 1 . . . . A 29 GLN C . 34052 1 205 . 1 1 29 29 GLN CA C 13 56.377 0.3 . 1 . . . . A 29 GLN CA . 34052 1 206 . 1 1 29 29 GLN CB C 13 29.528 0.3 . 1 . . . . A 29 GLN CB . 34052 1 207 . 1 1 29 29 GLN CG C 13 34.191 0.3 . 1 . . . . A 29 GLN CG . 34052 1 208 . 1 1 29 29 GLN N N 15 118.140 0.3 . 1 . . . . A 29 GLN N . 34052 1 209 . 1 1 30 30 ALA H H 1 8.122 0.020 . 1 . . . . A 30 ALA H . 34052 1 210 . 1 1 30 30 ALA HA H 1 4.298 0.020 . 1 . . . . A 30 ALA HA . 34052 1 211 . 1 1 30 30 ALA HB1 H 1 1.419 0.020 . 1 . . . . A 30 ALA HB1 . 34052 1 212 . 1 1 30 30 ALA HB2 H 1 1.419 0.020 . 1 . . . . A 30 ALA HB2 . 34052 1 213 . 1 1 30 30 ALA HB3 H 1 1.419 0.020 . 1 . . . . A 30 ALA HB3 . 34052 1 214 . 1 1 30 30 ALA C C 13 178.161 0.3 . 1 . . . . A 30 ALA C . 34052 1 215 . 1 1 30 30 ALA CA C 13 53.195 0.3 . 1 . . . . A 30 ALA CA . 34052 1 216 . 1 1 30 30 ALA CB C 13 19.370 0.3 . 1 . . . . A 30 ALA CB . 34052 1 217 . 1 1 30 30 ALA N N 15 124.209 0.3 . 1 . . . . A 30 ALA N . 34052 1 218 . 1 1 31 31 GLN H H 1 8.236 0.020 . 1 . . . . A 31 GLN H . 34052 1 219 . 1 1 31 31 GLN HA H 1 4.307 0.020 . 1 . . . . A 31 GLN HA . 34052 1 220 . 1 1 31 31 GLN HB2 H 1 2.139 0.020 . 2 . . . . A 31 GLN HB2 . 34052 1 221 . 1 1 31 31 GLN HB3 H 1 2.017 0.020 . 2 . . . . A 31 GLN HB3 . 34052 1 222 . 1 1 31 31 GLN HG2 H 1 2.391 0.020 . 1 . . . . A 31 GLN HG2 . 34052 1 223 . 1 1 31 31 GLN HG3 H 1 2.391 0.020 . 1 . . . . A 31 GLN HG3 . 34052 1 224 . 1 1 31 31 GLN C C 13 176.216 0.3 . 1 . . . . A 31 GLN C . 34052 1 225 . 1 1 31 31 GLN CA C 13 56.382 0.3 . 1 . . . . A 31 GLN CA . 34052 1 226 . 1 1 31 31 GLN CB C 13 29.407 0.3 . 1 . . . . A 31 GLN CB . 34052 1 227 . 1 1 31 31 GLN CG C 13 33.860 0.3 . 1 . . . . A 31 GLN CG . 34052 1 228 . 1 1 31 31 GLN N N 15 118.580 0.3 . 1 . . . . A 31 GLN N . 34052 1 229 . 1 1 32 32 ASN H H 1 8.323 0.020 . 1 . . . . A 32 ASN H . 34052 1 230 . 1 1 32 32 ASN C C 13 175.490 0.3 . 1 . . . . A 32 ASN C . 34052 1 231 . 1 1 32 32 ASN CA C 13 53.723 0.3 . 1 . . . . A 32 ASN CA . 34052 1 232 . 1 1 32 32 ASN CB C 13 39.232 0.3 . 1 . . . . A 32 ASN CB . 34052 1 233 . 1 1 32 32 ASN N N 15 119.038 0.3 . 1 . . . . A 32 ASN N . 34052 1 234 . 1 1 33 33 SER H H 1 8.140 0.020 . 1 . . . . A 33 SER H . 34052 1 235 . 1 1 33 33 SER HA H 1 4.422 0.020 . 1 . . . . A 33 SER HA . 34052 1 236 . 1 1 33 33 SER HB2 H 1 3.812 0.020 . 1 . . . . A 33 SER HB2 . 34052 1 237 . 1 1 33 33 SER HB3 H 1 3.812 0.020 . 1 . . . . A 33 SER HB3 . 34052 1 238 . 1 1 33 33 SER C C 13 174.350 0.3 . 1 . . . . A 33 SER C . 34052 1 239 . 1 1 33 33 SER CA C 13 58.908 0.3 . 1 . . . . A 33 SER CA . 34052 1 240 . 1 1 33 33 SER CB C 13 64.114 0.3 . 1 . . . . A 33 SER CB . 34052 1 241 . 1 1 33 33 SER N N 15 115.632 0.3 . 1 . . . . A 33 SER N . 34052 1 242 . 1 1 34 34 TYR H H 1 8.101 0.020 . 1 . . . . A 34 TYR H . 34052 1 243 . 1 1 34 34 TYR HA H 1 4.522 0.020 . 1 . . . . A 34 TYR HA . 34052 1 244 . 1 1 34 34 TYR HB2 H 1 2.982 0.020 . 1 . . . . A 34 TYR HB2 . 34052 1 245 . 1 1 34 34 TYR HB3 H 1 2.982 0.020 . 1 . . . . A 34 TYR HB3 . 34052 1 246 . 1 1 34 34 TYR C C 13 175.502 0.3 . 1 . . . . A 34 TYR C . 34052 1 247 . 1 1 34 34 TYR CA C 13 58.401 0.3 . 1 . . . . A 34 TYR CA . 34052 1 248 . 1 1 34 34 TYR CB C 13 39.023 0.3 . 1 . . . . A 34 TYR CB . 34052 1 249 . 1 1 34 34 TYR N N 15 121.694 0.3 . 1 . . . . A 34 TYR N . 34052 1 250 . 1 1 35 35 LYS H H 1 7.865 0.020 . 1 . . . . A 35 LYS H . 34052 1 251 . 1 1 35 35 LYS HA H 1 4.256 0.020 . 1 . . . . A 35 LYS HA . 34052 1 252 . 1 1 35 35 LYS HB2 H 1 1.720 0.020 . 2 . . . . A 35 LYS HB2 . 34052 1 253 . 1 1 35 35 LYS HB3 H 1 1.639 0.020 . 2 . . . . A 35 LYS HB3 . 34052 1 254 . 1 1 35 35 LYS HG2 H 1 1.303 0.020 . 1 . . . . A 35 LYS HG2 . 34052 1 255 . 1 1 35 35 LYS HG3 H 1 1.303 0.020 . 1 . . . . A 35 LYS HG3 . 34052 1 256 . 1 1 35 35 LYS HD2 H 1 1.612 0.020 . 1 . . . . A 35 LYS HD2 . 34052 1 257 . 1 1 35 35 LYS HD3 H 1 1.612 0.020 . 1 . . . . A 35 LYS HD3 . 34052 1 258 . 1 1 35 35 LYS HE2 H 1 2.957 0.020 . 1 . . . . A 35 LYS HE2 . 34052 1 259 . 1 1 35 35 LYS HE3 H 1 2.957 0.020 . 1 . . . . A 35 LYS HE3 . 34052 1 260 . 1 1 35 35 LYS CA C 13 55.798 0.3 . 1 . . . . A 35 LYS CA . 34052 1 261 . 1 1 35 35 LYS CB C 13 33.708 0.3 . 1 . . . . A 35 LYS CB . 34052 1 262 . 1 1 35 35 LYS CG C 13 24.663 0.3 . 1 . . . . A 35 LYS CG . 34052 1 263 . 1 1 35 35 LYS CD C 13 29.239 0.3 . 1 . . . . A 35 LYS CD . 34052 1 264 . 1 1 35 35 LYS CE C 13 42.378 0.3 . 1 . . . . A 35 LYS CE . 34052 1 265 . 1 1 35 35 LYS N N 15 123.043 0.3 . 1 . . . . A 35 LYS N . 34052 1 266 . 1 1 36 36 ASP H H 1 8.194 0.020 . 1 . . . . A 36 ASP H . 34052 1 267 . 1 1 36 36 ASP HA H 1 4.787 0.020 . 1 . . . . A 36 ASP HA . 34052 1 268 . 1 1 36 36 ASP HB2 H 1 2.754 0.020 . 2 . . . . A 36 ASP HB2 . 34052 1 269 . 1 1 36 36 ASP HB3 H 1 2.582 0.020 . 2 . . . . A 36 ASP HB3 . 34052 1 270 . 1 1 36 36 ASP C C 13 175.400 0.3 . 1 . . . . A 36 ASP C . 34052 1 271 . 1 1 36 36 ASP CA C 13 52.545 0.3 . 1 . . . . A 36 ASP CA . 34052 1 272 . 1 1 36 36 ASP CB C 13 41.621 0.3 . 1 . . . . A 36 ASP CB . 34052 1 273 . 1 1 36 36 ASP N N 15 123.539 0.3 . 1 . . . . A 36 ASP N . 34052 1 274 . 1 1 37 37 PRO HA H 1 4.435 0.020 . 1 . . . . A 37 PRO HA . 34052 1 275 . 1 1 37 37 PRO HB2 H 1 2.262 0.020 . 2 . . . . A 37 PRO HB2 . 34052 1 276 . 1 1 37 37 PRO HB3 H 1 1.938 0.020 . 2 . . . . A 37 PRO HB3 . 34052 1 277 . 1 1 37 37 PRO HG2 H 1 2.032 0.020 . 1 . . . . A 37 PRO HG2 . 34052 1 278 . 1 1 37 37 PRO HG3 H 1 2.032 0.020 . 1 . . . . A 37 PRO HG3 . 34052 1 279 . 1 1 37 37 PRO HD2 H 1 3.819 0.020 . 2 . . . . A 37 PRO HD2 . 34052 1 280 . 1 1 37 37 PRO HD3 H 1 3.910 0.020 . 2 . . . . A 37 PRO HD3 . 34052 1 281 . 1 1 37 37 PRO CA C 13 64.056 0.3 . 1 . . . . A 37 PRO CA . 34052 1 282 . 1 1 37 37 PRO CB C 13 32.330 0.3 . 1 . . . . A 37 PRO CB . 34052 1 283 . 1 1 37 37 PRO CG C 13 27.365 0.3 . 1 . . . . A 37 PRO CG . 34052 1 284 . 1 1 37 37 PRO CD C 13 51.221 0.3 . 1 . . . . A 37 PRO CD . 34052 1 285 . 1 1 38 38 SER H H 1 8.483 0.020 . 1 . . . . A 38 SER H . 34052 1 286 . 1 1 38 38 SER HA H 1 4.373 0.020 . 1 . . . . A 38 SER HA . 34052 1 287 . 1 1 38 38 SER HB2 H 1 3.814 0.020 . 1 . . . . A 38 SER HB2 . 34052 1 288 . 1 1 38 38 SER HB3 H 1 3.814 0.020 . 1 . . . . A 38 SER HB3 . 34052 1 289 . 1 1 38 38 SER C C 13 174.619 0.3 . 1 . . . . A 38 SER C . 34052 1 290 . 1 1 38 38 SER CA C 13 59.124 0.3 . 1 . . . . A 38 SER CA . 34052 1 291 . 1 1 38 38 SER CB C 13 64.041 0.3 . 1 . . . . A 38 SER CB . 34052 1 292 . 1 1 38 38 SER N N 15 115.096 0.3 . 1 . . . . A 38 SER N . 34052 1 293 . 1 1 39 39 TYR H H 1 7.941 0.020 . 1 . . . . A 39 TYR H . 34052 1 294 . 1 1 39 39 TYR HA H 1 4.596 0.020 . 1 . . . . A 39 TYR HA . 34052 1 295 . 1 1 39 39 TYR HB2 H 1 3.079 0.020 . 1 . . . . A 39 TYR HB2 . 34052 1 296 . 1 1 39 39 TYR HB3 H 1 3.079 0.020 . 1 . . . . A 39 TYR HB3 . 34052 1 297 . 1 1 39 39 TYR C C 13 175.617 0.3 . 1 . . . . A 39 TYR C . 34052 1 298 . 1 1 39 39 TYR CA C 13 58.474 0.3 . 1 . . . . A 39 TYR CA . 34052 1 299 . 1 1 39 39 TYR CB C 13 39.235 0.3 . 1 . . . . A 39 TYR CB . 34052 1 300 . 1 1 39 39 TYR N N 15 121.649 0.3 . 1 . . . . A 39 TYR N . 34052 1 301 . 1 1 40 40 ASN H H 1 8.115 0.020 . 1 . . . . A 40 ASN H . 34052 1 302 . 1 1 40 40 ASN HA H 1 4.682 0.020 . 1 . . . . A 40 ASN HA . 34052 1 303 . 1 1 40 40 ASN HB2 H 1 2.771 0.020 . 2 . . . . A 40 ASN HB2 . 34052 1 304 . 1 1 40 40 ASN HB3 H 1 2.664 0.020 . 2 . . . . A 40 ASN HB3 . 34052 1 305 . 1 1 40 40 ASN C C 13 174.902 0.3 . 1 . . . . A 40 ASN C . 34052 1 306 . 1 1 40 40 ASN CA C 13 53.412 0.3 . 1 . . . . A 40 ASN CA . 34052 1 307 . 1 1 40 40 ASN CB C 13 39.650 0.3 . 1 . . . . A 40 ASN CB . 34052 1 308 . 1 1 40 40 ASN N N 15 120.455 0.3 . 1 . . . . A 40 ASN N . 34052 1 309 . 1 1 41 41 ASP H H 1 8.119 0.020 . 1 . . . . A 41 ASP H . 34052 1 310 . 1 1 41 41 ASP HA H 1 4.533 0.020 . 1 . . . . A 41 ASP HA . 34052 1 311 . 1 1 41 41 ASP HB2 H 1 2.603 0.020 . 1 . . . . A 41 ASP HB2 . 34052 1 312 . 1 1 41 41 ASP HB3 H 1 2.603 0.020 . 1 . . . . A 41 ASP HB3 . 34052 1 313 . 1 1 41 41 ASP C C 13 176.114 0.3 . 1 . . . . A 41 ASP C . 34052 1 314 . 1 1 41 41 ASP CA C 13 54.929 0.3 . 1 . . . . A 41 ASP CA . 34052 1 315 . 1 1 41 41 ASP CB C 13 41.442 0.3 . 1 . . . . A 41 ASP CB . 34052 1 316 . 1 1 41 41 ASP N N 15 120.886 0.3 . 1 . . . . A 41 ASP N . 34052 1 317 . 1 1 42 42 ASP H H 1 8.121 0.020 . 1 . . . . A 42 ASP H . 34052 1 318 . 1 1 42 42 ASP HA H 1 4.551 0.020 . 1 . . . . A 42 ASP HA . 34052 1 319 . 1 1 42 42 ASP HB2 H 1 2.564 0.020 . 1 . . . . A 42 ASP HB2 . 34052 1 320 . 1 1 42 42 ASP HB3 H 1 2.564 0.020 . 1 . . . . A 42 ASP HB3 . 34052 1 321 . 1 1 42 42 ASP C C 13 176.499 0.3 . 1 . . . . A 42 ASP C . 34052 1 322 . 1 1 42 42 ASP CA C 13 54.786 0.3 . 1 . . . . A 42 ASP CA . 34052 1 323 . 1 1 42 42 ASP CB C 13 41.409 0.3 . 1 . . . . A 42 ASP CB . 34052 1 324 . 1 1 42 42 ASP N N 15 119.791 0.3 . 1 . . . . A 42 ASP N . 34052 1 325 . 1 1 43 43 PHE H H 1 8.154 0.020 . 1 . . . . A 43 PHE H . 34052 1 326 . 1 1 43 43 PHE HA H 1 4.579 0.020 . 1 . . . . A 43 PHE HA . 34052 1 327 . 1 1 43 43 PHE HB2 H 1 3.194 0.020 . 2 . . . . A 43 PHE HB2 . 34052 1 328 . 1 1 43 43 PHE HB3 H 1 3.052 0.020 . 2 . . . . A 43 PHE HB3 . 34052 1 329 . 1 1 43 43 PHE CA C 13 58.401 0.3 . 1 . . . . A 43 PHE CA . 34052 1 330 . 1 1 43 43 PHE CB C 13 39.385 0.3 . 1 . . . . A 43 PHE CB . 34052 1 331 . 1 1 43 43 PHE N N 15 119.738 0.3 . 1 . . . . A 43 PHE N . 34052 1 332 . 1 1 44 44 GLY H H 1 8.267 0.020 . 1 . . . . A 44 GLY H . 34052 1 333 . 1 1 44 44 GLY HA2 H 1 3.916 0.020 . 1 . . . . A 44 GLY HA2 . 34052 1 334 . 1 1 44 44 GLY HA3 H 1 3.916 0.020 . 1 . . . . A 44 GLY HA3 . 34052 1 335 . 1 1 44 44 GLY C C 13 174.317 0.3 . 1 . . . . A 44 GLY C . 34052 1 336 . 1 1 44 44 GLY CA C 13 45.892 0.3 . 1 . . . . A 44 GLY CA . 34052 1 337 . 1 1 44 44 GLY N N 15 109.709 0.3 . 1 . . . . A 44 GLY N . 34052 1 338 . 1 1 45 45 ILE H H 1 7.872 0.020 . 1 . . . . A 45 ILE H . 34052 1 339 . 1 1 45 45 ILE HA H 1 4.215 0.020 . 1 . . . . A 45 ILE HA . 34052 1 340 . 1 1 45 45 ILE HB H 1 1.896 0.020 . 1 . . . . A 45 ILE HB . 34052 1 341 . 1 1 45 45 ILE HG12 H 1 1.452 0.020 . 2 . . . . A 45 ILE HG12 . 34052 1 342 . 1 1 45 45 ILE HG13 H 1 1.171 0.020 . 2 . . . . A 45 ILE HG13 . 34052 1 343 . 1 1 45 45 ILE HG21 H 1 0.917 0.020 . 1 . . . . A 45 ILE HG21 . 34052 1 344 . 1 1 45 45 ILE HG22 H 1 0.917 0.020 . 1 . . . . A 45 ILE HG22 . 34052 1 345 . 1 1 45 45 ILE HG23 H 1 0.917 0.020 . 1 . . . . A 45 ILE HG23 . 34052 1 346 . 1 1 45 45 ILE HD11 H 1 0.855 0.020 . 1 . . . . A 45 ILE HD11 . 34052 1 347 . 1 1 45 45 ILE HD12 H 1 0.855 0.020 . 1 . . . . A 45 ILE HD12 . 34052 1 348 . 1 1 45 45 ILE HD13 H 1 0.855 0.020 . 1 . . . . A 45 ILE HD13 . 34052 1 349 . 1 1 45 45 ILE C C 13 176.330 0.3 . 1 . . . . A 45 ILE C . 34052 1 350 . 1 1 45 45 ILE CA C 13 61.294 0.3 . 1 . . . . A 45 ILE CA . 34052 1 351 . 1 1 45 45 ILE CB C 13 39.250 0.3 . 1 . . . . A 45 ILE CB . 34052 1 352 . 1 1 45 45 ILE CG1 C 13 27.540 0.3 . 1 . . . . A 45 ILE CG1 . 34052 1 353 . 1 1 45 45 ILE CG2 C 13 17.844 0.3 . 1 . . . . A 45 ILE CG2 . 34052 1 354 . 1 1 45 45 ILE CD1 C 13 13.510 0.3 . 1 . . . . A 45 ILE CD1 . 34052 1 355 . 1 1 45 45 ILE N N 15 119.064 0.3 . 1 . . . . A 45 ILE N . 34052 1 356 . 1 1 46 46 GLU H H 1 8.490 0.020 . 1 . . . . A 46 GLU H . 34052 1 357 . 1 1 46 46 GLU HA H 1 4.377 0.020 . 1 . . . . A 46 GLU HA . 34052 1 358 . 1 1 46 46 GLU HB2 H 1 2.064 0.020 . 2 . . . . A 46 GLU HB2 . 34052 1 359 . 1 1 46 46 GLU HB3 H 1 1.954 0.020 . 2 . . . . A 46 GLU HB3 . 34052 1 360 . 1 1 46 46 GLU HG2 H 1 2.294 0.020 . 2 . . . . A 46 GLU HG2 . 34052 1 361 . 1 1 46 46 GLU HG3 H 1 2.240 0.020 . 2 . . . . A 46 GLU HG3 . 34052 1 362 . 1 1 46 46 GLU C C 13 176.538 0.3 . 1 . . . . A 46 GLU C . 34052 1 363 . 1 1 46 46 GLU CA C 13 56.811 0.3 . 1 . . . . A 46 GLU CA . 34052 1 364 . 1 1 46 46 GLU CB C 13 30.616 0.3 . 1 . . . . A 46 GLU CB . 34052 1 365 . 1 1 46 46 GLU CG C 13 36.431 0.3 . 1 . . . . A 46 GLU CG . 34052 1 366 . 1 1 46 46 GLU N N 15 124.294 0.3 . 1 . . . . A 46 GLU N . 34052 1 367 . 1 1 47 47 THR H H 1 8.180 0.020 . 1 . . . . A 47 THR H . 34052 1 368 . 1 1 47 47 THR HA H 1 4.601 0.020 . 1 . . . . A 47 THR HA . 34052 1 369 . 1 1 47 47 THR HB H 1 4.199 0.020 . 1 . . . . A 47 THR HB . 34052 1 370 . 1 1 47 47 THR HG21 H 1 1.255 0.020 . 1 . . . . A 47 THR HG21 . 34052 1 371 . 1 1 47 47 THR HG22 H 1 1.255 0.020 . 1 . . . . A 47 THR HG22 . 34052 1 372 . 1 1 47 47 THR HG23 H 1 1.255 0.020 . 1 . . . . A 47 THR HG23 . 34052 1 373 . 1 1 47 47 THR C C 13 173.216 0.3 . 1 . . . . A 47 THR C . 34052 1 374 . 1 1 47 47 THR CA C 13 60.354 0.3 . 1 . . . . A 47 THR CA . 34052 1 375 . 1 1 47 47 THR CB C 13 69.972 0.3 . 1 . . . . A 47 THR CB . 34052 1 376 . 1 1 47 47 THR CG2 C 13 21.871 0.3 . 1 . . . . A 47 THR CG2 . 34052 1 377 . 1 1 47 47 THR N N 15 117.416 0.3 . 1 . . . . A 47 THR N . 34052 1 378 . 1 1 48 48 PRO HB2 H 1 2.346 0.020 . 2 . . . . A 48 PRO HB2 . 34052 1 379 . 1 1 48 48 PRO HB3 H 1 1.967 0.020 . 2 . . . . A 48 PRO HB3 . 34052 1 380 . 1 1 48 48 PRO HG2 H 1 2.077 0.020 . 2 . . . . A 48 PRO HG2 . 34052 1 381 . 1 1 48 48 PRO HG3 H 1 2.003 0.020 . 2 . . . . A 48 PRO HG3 . 34052 1 382 . 1 1 48 48 PRO HD2 H 1 3.859 0.020 . 2 . . . . A 48 PRO HD2 . 34052 1 383 . 1 1 48 48 PRO HD3 H 1 3.725 0.020 . 2 . . . . A 48 PRO HD3 . 34052 1 384 . 1 1 48 48 PRO CA C 13 63.767 0.3 . 1 . . . . A 48 PRO CA . 34052 1 385 . 1 1 48 48 PRO CB C 13 32.081 0.3 . 1 . . . . A 48 PRO CB . 34052 1 386 . 1 1 48 48 PRO CG C 13 27.775 0.3 . 1 . . . . A 48 PRO CG . 34052 1 387 . 1 1 48 48 PRO CD C 13 51.368 0.3 . 1 . . . . A 48 PRO CD . 34052 1 388 . 1 1 49 49 SER H H 1 8.511 0.020 . 1 . . . . A 49 SER H . 34052 1 389 . 1 1 49 49 SER HA H 1 4.481 0.020 . 1 . . . . A 49 SER HA . 34052 1 390 . 1 1 49 49 SER HB2 H 1 4.058 0.020 . 2 . . . . A 49 SER HB2 . 34052 1 391 . 1 1 49 49 SER HB3 H 1 3.940 0.020 . 2 . . . . A 49 SER HB3 . 34052 1 392 . 1 1 49 49 SER C C 13 175.369 0.3 . 1 . . . . A 49 SER C . 34052 1 393 . 1 1 49 49 SER CA C 13 58.614 0.3 . 1 . . . . A 49 SER CA . 34052 1 394 . 1 1 49 49 SER CB C 13 64.321 0.3 . 1 . . . . A 49 SER CB . 34052 1 395 . 1 1 49 49 SER N N 15 116.301 0.3 . 1 . . . . A 49 SER N . 34052 1 396 . 1 1 50 50 ALA H H 1 8.482 0.020 . 1 . . . . A 50 ALA H . 34052 1 397 . 1 1 50 50 ALA HA H 1 4.315 0.020 . 1 . . . . A 50 ALA HA . 34052 1 398 . 1 1 50 50 ALA HB1 H 1 1.467 0.020 . 1 . . . . A 50 ALA HB1 . 34052 1 399 . 1 1 50 50 ALA HB2 H 1 1.467 0.020 . 1 . . . . A 50 ALA HB2 . 34052 1 400 . 1 1 50 50 ALA HB3 H 1 1.467 0.020 . 1 . . . . A 50 ALA HB3 . 34052 1 401 . 1 1 50 50 ALA C C 13 179.286 0.3 . 1 . . . . A 50 ALA C . 34052 1 402 . 1 1 50 50 ALA CA C 13 54.221 0.3 . 1 . . . . A 50 ALA CA . 34052 1 403 . 1 1 50 50 ALA CB C 13 19.138 0.3 . 1 . . . . A 50 ALA CB . 34052 1 404 . 1 1 50 50 ALA N N 15 125.510 0.3 . 1 . . . . A 50 ALA N . 34052 1 405 . 1 1 51 51 LEU H H 1 8.195 0.020 . 1 . . . . A 51 LEU H . 34052 1 406 . 1 1 51 51 LEU HA H 1 4.284 0.020 . 1 . . . . A 51 LEU HA . 34052 1 407 . 1 1 51 51 LEU HB2 H 1 1.702 0.020 . 1 . . . . A 51 LEU HB2 . 34052 1 408 . 1 1 51 51 LEU HB3 H 1 1.702 0.020 . 1 . . . . A 51 LEU HB3 . 34052 1 409 . 1 1 51 51 LEU HG H 1 1.714 0.020 . 1 . . . . A 51 LEU HG . 34052 1 410 . 1 1 51 51 LEU HD11 H 1 0.891 0.020 . 2 . . . . A 51 LEU HD11 . 34052 1 411 . 1 1 51 51 LEU HD12 H 1 0.891 0.020 . 2 . . . . A 51 LEU HD12 . 34052 1 412 . 1 1 51 51 LEU HD13 H 1 0.891 0.020 . 2 . . . . A 51 LEU HD13 . 34052 1 413 . 1 1 51 51 LEU HD21 H 1 0.946 0.020 . 2 . . . . A 51 LEU HD21 . 34052 1 414 . 1 1 51 51 LEU HD22 H 1 0.946 0.020 . 2 . . . . A 51 LEU HD22 . 34052 1 415 . 1 1 51 51 LEU HD23 H 1 0.946 0.020 . 2 . . . . A 51 LEU HD23 . 34052 1 416 . 1 1 51 51 LEU C C 13 178.620 0.3 . 1 . . . . A 51 LEU C . 34052 1 417 . 1 1 51 51 LEU CA C 13 56.934 0.3 . 1 . . . . A 51 LEU CA . 34052 1 418 . 1 1 51 51 LEU CB C 13 42.191 0.3 . 1 . . . . A 51 LEU CB . 34052 1 419 . 1 1 51 51 LEU CG C 13 27.432 0.3 . 1 . . . . A 51 LEU CG . 34052 1 420 . 1 1 51 51 LEU CD1 C 13 24.618 0.3 . 1 . . . . A 51 LEU CD1 . 34052 1 421 . 1 1 51 51 LEU CD2 C 13 24.891 0.3 . 1 . . . . A 51 LEU CD2 . 34052 1 422 . 1 1 51 51 LEU N N 15 118.621 0.3 . 1 . . . . A 51 LEU N . 34052 1 423 . 1 1 52 52 ASP H H 1 8.066 0.020 . 1 . . . . A 52 ASP H . 34052 1 424 . 1 1 52 52 ASP HA H 1 4.498 0.020 . 1 . . . . A 52 ASP HA . 34052 1 425 . 1 1 52 52 ASP HB2 H 1 2.785 0.020 . 2 . . . . A 52 ASP HB2 . 34052 1 426 . 1 1 52 52 ASP HB3 H 1 2.726 0.020 . 2 . . . . A 52 ASP HB3 . 34052 1 427 . 1 1 52 52 ASP C C 13 177.842 0.3 . 1 . . . . A 52 ASP C . 34052 1 428 . 1 1 52 52 ASP CA C 13 56.610 0.3 . 1 . . . . A 52 ASP CA . 34052 1 429 . 1 1 52 52 ASP CB C 13 41.040 0.3 . 1 . . . . A 52 ASP CB . 34052 1 430 . 1 1 52 52 ASP N N 15 120.776 0.3 . 1 . . . . A 52 ASP N . 34052 1 431 . 1 1 53 53 ASN H H 1 8.244 0.020 . 1 . . . . A 53 ASN H . 34052 1 432 . 1 1 53 53 ASN HA H 1 4.576 0.020 . 1 . . . . A 53 ASN HA . 34052 1 433 . 1 1 53 53 ASN HB2 H 1 2.824 0.020 . 1 . . . . A 53 ASN HB2 . 34052 1 434 . 1 1 53 53 ASN HB3 H 1 2.824 0.020 . 1 . . . . A 53 ASN HB3 . 34052 1 435 . 1 1 53 53 ASN HD21 H 1 7.560 0.020 . 1 . . . . A 53 ASN HD21 . 34052 1 436 . 1 1 53 53 ASN HD22 H 1 6.884 0.020 . 1 . . . . A 53 ASN HD22 . 34052 1 437 . 1 1 53 53 ASN C C 13 177.368 0.3 . 1 . . . . A 53 ASN C . 34052 1 438 . 1 1 53 53 ASN CA C 13 55.674 0.3 . 1 . . . . A 53 ASN CA . 34052 1 439 . 1 1 53 53 ASN CB C 13 38.786 0.3 . 1 . . . . A 53 ASN CB . 34052 1 440 . 1 1 53 53 ASN N N 15 117.804 0.3 . 1 . . . . A 53 ASN N . 34052 1 441 . 1 1 54 54 PHE H H 1 8.389 0.020 . 1 . . . . A 54 PHE H . 34052 1 442 . 1 1 54 54 PHE HA H 1 4.456 0.020 . 1 . . . . A 54 PHE HA . 34052 1 443 . 1 1 54 54 PHE HB2 H 1 3.289 0.020 . 1 . . . . A 54 PHE HB2 . 34052 1 444 . 1 1 54 54 PHE HB3 H 1 3.289 0.020 . 1 . . . . A 54 PHE HB3 . 34052 1 445 . 1 1 54 54 PHE HD1 H 1 7.229 0.020 . 1 . . . . A 54 PHE HD1 . 34052 1 446 . 1 1 54 54 PHE HD2 H 1 7.229 0.020 . 1 . . . . A 54 PHE HD2 . 34052 1 447 . 1 1 54 54 PHE C C 13 176.907 0.3 . 1 . . . . A 54 PHE C . 34052 1 448 . 1 1 54 54 PHE CA C 13 60.932 0.3 . 1 . . . . A 54 PHE CA . 34052 1 449 . 1 1 54 54 PHE CB C 13 39.385 0.3 . 1 . . . . A 54 PHE CB . 34052 1 450 . 1 1 54 54 PHE CD1 C 13 132.064 0.3 . 1 . . . . A 54 PHE CD1 . 34052 1 451 . 1 1 54 54 PHE CD2 C 13 132.064 0.3 . 1 . . . . A 54 PHE CD2 . 34052 1 452 . 1 1 54 54 PHE N N 15 121.030 0.3 . 1 . . . . A 54 PHE N . 34052 1 453 . 1 1 55 55 THR H H 1 8.402 0.020 . 1 . . . . A 55 THR H . 34052 1 454 . 1 1 55 55 THR HB H 1 3.809 0.020 . 1 . . . . A 55 THR HB . 34052 1 455 . 1 1 55 55 THR HG21 H 1 1.270 0.020 . 1 . . . . A 55 THR HG21 . 34052 1 456 . 1 1 55 55 THR HG22 H 1 1.270 0.020 . 1 . . . . A 55 THR HG22 . 34052 1 457 . 1 1 55 55 THR HG23 H 1 1.270 0.020 . 1 . . . . A 55 THR HG23 . 34052 1 458 . 1 1 55 55 THR CA C 13 66.572 0.3 . 1 . . . . A 55 THR CA . 34052 1 459 . 1 1 55 55 THR CB C 13 68.741 0.3 . 1 . . . . A 55 THR CB . 34052 1 460 . 1 1 55 55 THR CG2 C 13 22.257 0.3 . 1 . . . . A 55 THR CG2 . 34052 1 461 . 1 1 55 55 THR N N 15 114.210 0.3 . 1 . . . . A 55 THR N . 34052 1 462 . 1 1 56 56 GLN H H 1 8.210 0.020 . 1 . . . . A 56 GLN H . 34052 1 463 . 1 1 56 56 GLN HA H 1 4.106 0.020 . 1 . . . . A 56 GLN HA . 34052 1 464 . 1 1 56 56 GLN HB2 H 1 2.154 0.020 . 1 . . . . A 56 GLN HB2 . 34052 1 465 . 1 1 56 56 GLN HB3 H 1 2.154 0.020 . 1 . . . . A 56 GLN HB3 . 34052 1 466 . 1 1 56 56 GLN HG2 H 1 2.507 0.020 . 2 . . . . A 56 GLN HG2 . 34052 1 467 . 1 1 56 56 GLN HG3 H 1 2.431 0.020 . 2 . . . . A 56 GLN HG3 . 34052 1 468 . 1 1 56 56 GLN HE21 H 1 7.487 0.020 . 1 . . . . A 56 GLN HE21 . 34052 1 469 . 1 1 56 56 GLN HE22 H 1 6.808 0.020 . 1 . . . . A 56 GLN HE22 . 34052 1 470 . 1 1 56 56 GLN C C 13 178.494 0.3 . 1 . . . . A 56 GLN C . 34052 1 471 . 1 1 56 56 GLN CA C 13 59.052 0.3 . 1 . . . . A 56 GLN CA . 34052 1 472 . 1 1 56 56 GLN CB C 13 28.784 0.3 . 1 . . . . A 56 GLN CB . 34052 1 473 . 1 1 56 56 GLN CG C 13 34.509 0.3 . 1 . . . . A 56 GLN CG . 34052 1 474 . 1 1 56 56 GLN N N 15 120.466 0.3 . 1 . . . . A 56 GLN N . 34052 1 475 . 1 1 56 56 GLN NE2 N 15 111.640 0.3 . 1 . . . . A 56 GLN NE2 . 34052 1 476 . 1 1 57 57 ALA H H 1 7.982 0.020 . 1 . . . . A 57 ALA H . 34052 1 477 . 1 1 57 57 ALA HA H 1 4.218 0.020 . 1 . . . . A 57 ALA HA . 34052 1 478 . 1 1 57 57 ALA HB1 H 1 1.504 0.020 . 1 . . . . A 57 ALA HB1 . 34052 1 479 . 1 1 57 57 ALA HB2 H 1 1.504 0.020 . 1 . . . . A 57 ALA HB2 . 34052 1 480 . 1 1 57 57 ALA HB3 H 1 1.504 0.020 . 1 . . . . A 57 ALA HB3 . 34052 1 481 . 1 1 57 57 ALA C C 13 180.475 0.3 . 1 . . . . A 57 ALA C . 34052 1 482 . 1 1 57 57 ALA CA C 13 55.104 0.3 . 1 . . . . A 57 ALA CA . 34052 1 483 . 1 1 57 57 ALA CB C 13 18.574 0.3 . 1 . . . . A 57 ALA CB . 34052 1 484 . 1 1 57 57 ALA N N 15 122.711 0.3 . 1 . . . . A 57 ALA N . 34052 1 485 . 1 1 58 58 ILE H H 1 7.981 0.020 . 1 . . . . A 58 ILE H . 34052 1 486 . 1 1 58 58 ILE HA H 1 3.800 0.020 . 1 . . . . A 58 ILE HA . 34052 1 487 . 1 1 58 58 ILE HB H 1 1.860 0.020 . 1 . . . . A 58 ILE HB . 34052 1 488 . 1 1 58 58 ILE HG12 H 1 1.395 0.020 . 2 . . . . A 58 ILE HG12 . 34052 1 489 . 1 1 58 58 ILE HG13 H 1 1.040 0.020 . 2 . . . . A 58 ILE HG13 . 34052 1 490 . 1 1 58 58 ILE HG21 H 1 0.805 0.020 . 1 . . . . A 58 ILE HG21 . 34052 1 491 . 1 1 58 58 ILE HG22 H 1 0.805 0.020 . 1 . . . . A 58 ILE HG22 . 34052 1 492 . 1 1 58 58 ILE HG23 H 1 0.805 0.020 . 1 . . . . A 58 ILE HG23 . 34052 1 493 . 1 1 58 58 ILE HD11 H 1 0.651 0.020 . 1 . . . . A 58 ILE HD11 . 34052 1 494 . 1 1 58 58 ILE HD12 H 1 0.651 0.020 . 1 . . . . A 58 ILE HD12 . 34052 1 495 . 1 1 58 58 ILE HD13 H 1 0.651 0.020 . 1 . . . . A 58 ILE HD13 . 34052 1 496 . 1 1 58 58 ILE C C 13 177.964 0.3 . 1 . . . . A 58 ILE C . 34052 1 497 . 1 1 58 58 ILE CA C 13 63.775 0.3 . 1 . . . . A 58 ILE CA . 34052 1 498 . 1 1 58 58 ILE CB C 13 37.621 0.3 . 1 . . . . A 58 ILE CB . 34052 1 499 . 1 1 58 58 ILE CG1 C 13 28.537 0.3 . 1 . . . . A 58 ILE CG1 . 34052 1 500 . 1 1 58 58 ILE CG2 C 13 17.916 0.3 . 1 . . . . A 58 ILE CG2 . 34052 1 501 . 1 1 58 58 ILE CD1 C 13 12.752 0.3 . 1 . . . . A 58 ILE CD1 . 34052 1 502 . 1 1 58 58 ILE N N 15 117.741 0.3 . 1 . . . . A 58 ILE N . 34052 1 503 . 1 1 59 59 GLN H H 1 8.264 0.020 . 1 . . . . A 59 GLN H . 34052 1 504 . 1 1 59 59 GLN HA H 1 3.903 0.020 . 1 . . . . A 59 GLN HA . 34052 1 505 . 1 1 59 59 GLN HB2 H 1 2.228 0.020 . 2 . . . . A 59 GLN HB2 . 34052 1 506 . 1 1 59 59 GLN HB3 H 1 2.117 0.020 . 2 . . . . A 59 GLN HB3 . 34052 1 507 . 1 1 59 59 GLN HG2 H 1 2.493 0.020 . 2 . . . . A 59 GLN HG2 . 34052 1 508 . 1 1 59 59 GLN HG3 H 1 2.247 0.020 . 2 . . . . A 59 GLN HG3 . 34052 1 509 . 1 1 59 59 GLN HE21 H 1 7.062 0.020 . 1 . . . . A 59 GLN HE21 . 34052 1 510 . 1 1 59 59 GLN HE22 H 1 6.811 0.020 . 1 . . . . A 59 GLN HE22 . 34052 1 511 . 1 1 59 59 GLN C C 13 178.042 0.3 . 1 . . . . A 59 GLN C . 34052 1 512 . 1 1 59 59 GLN CA C 13 59.852 0.3 . 1 . . . . A 59 GLN CA . 34052 1 513 . 1 1 59 59 GLN CB C 13 28.991 0.3 . 1 . . . . A 59 GLN CB . 34052 1 514 . 1 1 59 59 GLN CG C 13 34.786 0.3 . 1 . . . . A 59 GLN CG . 34052 1 515 . 1 1 59 59 GLN N N 15 119.557 0.3 . 1 . . . . A 59 GLN N . 34052 1 516 . 1 1 59 59 GLN NE2 N 15 108.956 0.3 . 1 . . . . A 59 GLN NE2 . 34052 1 517 . 1 1 60 60 SER H H 1 8.231 0.020 . 1 . . . . A 60 SER H . 34052 1 518 . 1 1 60 60 SER HA H 1 4.224 0.020 . 1 . . . . A 60 SER HA . 34052 1 519 . 1 1 60 60 SER HB2 H 1 4.003 0.020 . 1 . . . . A 60 SER HB2 . 34052 1 520 . 1 1 60 60 SER HB3 H 1 4.003 0.020 . 1 . . . . A 60 SER HB3 . 34052 1 521 . 1 1 60 60 SER CA C 13 61.728 0.3 . 1 . . . . A 60 SER CA . 34052 1 522 . 1 1 60 60 SER CB C 13 63.555 0.3 . 1 . . . . A 60 SER CB . 34052 1 523 . 1 1 60 60 SER N N 15 113.395 0.3 . 1 . . . . A 60 SER N . 34052 1 524 . 1 1 61 61 GLN H H 1 8.018 0.020 . 1 . . . . A 61 GLN H . 34052 1 525 . 1 1 61 61 GLN HA H 1 4.204 0.020 . 1 . . . . A 61 GLN HA . 34052 1 526 . 1 1 61 61 GLN HB2 H 1 2.186 0.020 . 1 . . . . A 61 GLN HB2 . 34052 1 527 . 1 1 61 61 GLN HB3 H 1 2.186 0.020 . 1 . . . . A 61 GLN HB3 . 34052 1 528 . 1 1 61 61 GLN HG2 H 1 2.441 0.020 . 1 . . . . A 61 GLN HG2 . 34052 1 529 . 1 1 61 61 GLN HG3 H 1 2.441 0.020 . 1 . . . . A 61 GLN HG3 . 34052 1 530 . 1 1 61 61 GLN HE21 H 1 7.339 0.020 . 1 . . . . A 61 GLN HE21 . 34052 1 531 . 1 1 61 61 GLN HE22 H 1 6.747 0.020 . 1 . . . . A 61 GLN HE22 . 34052 1 532 . 1 1 61 61 GLN C C 13 179.002 0.3 . 1 . . . . A 61 GLN C . 34052 1 533 . 1 1 61 61 GLN CA C 13 58.447 0.3 . 1 . . . . A 61 GLN CA . 34052 1 534 . 1 1 61 61 GLN CB C 13 28.892 0.3 . 1 . . . . A 61 GLN CB . 34052 1 535 . 1 1 61 61 GLN CG C 13 34.210 0.3 . 1 . . . . A 61 GLN CG . 34052 1 536 . 1 1 61 61 GLN N N 15 121.092 0.3 . 1 . . . . A 61 GLN N . 34052 1 537 . 1 1 61 61 GLN NE2 N 15 110.360 0.3 . 1 . . . . A 61 GLN NE2 . 34052 1 538 . 1 1 62 62 ILE H H 1 8.153 0.020 . 1 . . . . A 62 ILE H . 34052 1 539 . 1 1 62 62 ILE HA H 1 3.878 0.020 . 1 . . . . A 62 ILE HA . 34052 1 540 . 1 1 62 62 ILE HB H 1 1.963 0.020 . 1 . . . . A 62 ILE HB . 34052 1 541 . 1 1 62 62 ILE HG12 H 1 1.115 0.020 . 2 . . . . A 62 ILE HG12 . 34052 1 542 . 1 1 62 62 ILE HG13 H 1 1.754 0.020 . 2 . . . . A 62 ILE HG13 . 34052 1 543 . 1 1 62 62 ILE HG21 H 1 0.872 0.020 . 1 . . . . A 62 ILE HG21 . 34052 1 544 . 1 1 62 62 ILE HG22 H 1 0.872 0.020 . 1 . . . . A 62 ILE HG22 . 34052 1 545 . 1 1 62 62 ILE HG23 H 1 0.872 0.020 . 1 . . . . A 62 ILE HG23 . 34052 1 546 . 1 1 62 62 ILE HD11 H 1 0.795 0.020 . 1 . . . . A 62 ILE HD11 . 34052 1 547 . 1 1 62 62 ILE HD12 H 1 0.795 0.020 . 1 . . . . A 62 ILE HD12 . 34052 1 548 . 1 1 62 62 ILE HD13 H 1 0.795 0.020 . 1 . . . . A 62 ILE HD13 . 34052 1 549 . 1 1 62 62 ILE C C 13 177.699 0.3 . 1 . . . . A 62 ILE C . 34052 1 550 . 1 1 62 62 ILE CA C 13 64.673 0.3 . 1 . . . . A 62 ILE CA . 34052 1 551 . 1 1 62 62 ILE CB C 13 38.097 0.3 . 1 . . . . A 62 ILE CB . 34052 1 552 . 1 1 62 62 ILE CG1 C 13 28.842 0.3 . 1 . . . . A 62 ILE CG1 . 34052 1 553 . 1 1 62 62 ILE CG2 C 13 17.433 0.3 . 1 . . . . A 62 ILE CG2 . 34052 1 554 . 1 1 62 62 ILE CD1 C 13 13.583 0.3 . 1 . . . . A 62 ILE CD1 . 34052 1 555 . 1 1 62 62 ILE N N 15 119.350 0.3 . 1 . . . . A 62 ILE N . 34052 1 556 . 1 1 63 63 LEU H H 1 8.253 0.020 . 1 . . . . A 63 LEU H . 34052 1 557 . 1 1 63 63 LEU HA H 1 4.093 0.020 . 1 . . . . A 63 LEU HA . 34052 1 558 . 1 1 63 63 LEU HB2 H 1 1.786 0.020 . 2 . . . . A 63 LEU HB2 . 34052 1 559 . 1 1 63 63 LEU HB3 H 1 1.625 0.020 . 2 . . . . A 63 LEU HB3 . 34052 1 560 . 1 1 63 63 LEU HG H 1 1.727 0.020 . 1 . . . . A 63 LEU HG . 34052 1 561 . 1 1 63 63 LEU HD11 H 1 0.881 0.020 . 2 . . . . A 63 LEU HD11 . 34052 1 562 . 1 1 63 63 LEU HD12 H 1 0.881 0.020 . 2 . . . . A 63 LEU HD12 . 34052 1 563 . 1 1 63 63 LEU HD13 H 1 0.881 0.020 . 2 . . . . A 63 LEU HD13 . 34052 1 564 . 1 1 63 63 LEU HD21 H 1 0.853 0.020 . 2 . . . . A 63 LEU HD21 . 34052 1 565 . 1 1 63 63 LEU HD22 H 1 0.853 0.020 . 2 . . . . A 63 LEU HD22 . 34052 1 566 . 1 1 63 63 LEU HD23 H 1 0.853 0.020 . 2 . . . . A 63 LEU HD23 . 34052 1 567 . 1 1 63 63 LEU C C 13 178.872 0.3 . 1 . . . . A 63 LEU C . 34052 1 568 . 1 1 63 63 LEU CA C 13 57.867 0.3 . 1 . . . . A 63 LEU CA . 34052 1 569 . 1 1 63 63 LEU CB C 13 41.844 0.3 . 1 . . . . A 63 LEU CB . 34052 1 570 . 1 1 63 63 LEU CG C 13 27.338 0.3 . 1 . . . . A 63 LEU CG . 34052 1 571 . 1 1 63 63 LEU CD1 C 13 25.242 0.3 . 1 . . . . A 63 LEU CD1 . 34052 1 572 . 1 1 63 63 LEU CD2 C 13 24.114 0.3 . 1 . . . . A 63 LEU CD2 . 34052 1 573 . 1 1 63 63 LEU N N 15 119.497 0.3 . 1 . . . . A 63 LEU N . 34052 1 574 . 1 1 64 64 GLY H H 1 8.245 0.020 . 1 . . . . A 64 GLY H . 34052 1 575 . 1 1 64 64 GLY HA2 H 1 3.977 0.020 . 2 . . . . A 64 GLY HA2 . 34052 1 576 . 1 1 64 64 GLY HA3 H 1 3.823 0.020 . 2 . . . . A 64 GLY HA3 . 34052 1 577 . 1 1 64 64 GLY C C 13 176.673 0.3 . 1 . . . . A 64 GLY C . 34052 1 578 . 1 1 64 64 GLY CA C 13 47.308 0.3 . 1 . . . . A 64 GLY CA . 34052 1 579 . 1 1 64 64 GLY N N 15 105.385 0.3 . 1 . . . . A 64 GLY N . 34052 1 580 . 1 1 65 65 GLY H H 1 8.030 0.020 . 1 . . . . A 65 GLY H . 34052 1 581 . 1 1 65 65 GLY HA2 H 1 4.005 0.020 . 2 . . . . A 65 GLY HA2 . 34052 1 582 . 1 1 65 65 GLY HA3 H 1 3.880 0.020 . 2 . . . . A 65 GLY HA3 . 34052 1 583 . 1 1 65 65 GLY C C 13 176.080 0.3 . 1 . . . . A 65 GLY C . 34052 1 584 . 1 1 65 65 GLY CA C 13 46.756 0.3 . 1 . . . . A 65 GLY CA . 34052 1 585 . 1 1 65 65 GLY N N 15 108.946 0.3 . 1 . . . . A 65 GLY N . 34052 1 586 . 1 1 66 66 LEU H H 1 8.065 0.020 . 1 . . . . A 66 LEU H . 34052 1 587 . 1 1 66 66 LEU HA H 1 4.196 0.020 . 1 . . . . A 66 LEU HA . 34052 1 588 . 1 1 66 66 LEU HB2 H 1 1.855 0.020 . 2 . . . . A 66 LEU HB2 . 34052 1 589 . 1 1 66 66 LEU HB3 H 1 1.610 0.020 . 2 . . . . A 66 LEU HB3 . 34052 1 590 . 1 1 66 66 LEU HG H 1 1.796 0.020 . 1 . . . . A 66 LEU HG . 34052 1 591 . 1 1 66 66 LEU HD11 H 1 0.849 0.020 . 1 . . . . A 66 LEU HD11 . 34052 1 592 . 1 1 66 66 LEU HD12 H 1 0.849 0.020 . 1 . . . . A 66 LEU HD12 . 34052 1 593 . 1 1 66 66 LEU HD13 H 1 0.849 0.020 . 1 . . . . A 66 LEU HD13 . 34052 1 594 . 1 1 66 66 LEU HD21 H 1 0.849 0.020 . 1 . . . . A 66 LEU HD21 . 34052 1 595 . 1 1 66 66 LEU HD22 H 1 0.849 0.020 . 1 . . . . A 66 LEU HD22 . 34052 1 596 . 1 1 66 66 LEU HD23 H 1 0.849 0.020 . 1 . . . . A 66 LEU HD23 . 34052 1 597 . 1 1 66 66 LEU C C 13 178.724 0.3 . 1 . . . . A 66 LEU C . 34052 1 598 . 1 1 66 66 LEU CA C 13 57.921 0.3 . 1 . . . . A 66 LEU CA . 34052 1 599 . 1 1 66 66 LEU CB C 13 42.594 0.3 . 1 . . . . A 66 LEU CB . 34052 1 600 . 1 1 66 66 LEU CG C 13 27.080 0.3 . 1 . . . . A 66 LEU CG . 34052 1 601 . 1 1 66 66 LEU N N 15 121.919 0.3 . 1 . . . . A 66 LEU N . 34052 1 602 . 1 1 67 67 LEU H H 1 8.202 0.020 . 1 . . . . A 67 LEU H . 34052 1 603 . 1 1 67 67 LEU HA H 1 4.163 0.020 . 1 . . . . A 67 LEU HA . 34052 1 604 . 1 1 67 67 LEU HB2 H 1 1.615 0.020 . 2 . . . . A 67 LEU HB2 . 34052 1 605 . 1 1 67 67 LEU HB3 H 1 1.809 0.020 . 2 . . . . A 67 LEU HB3 . 34052 1 606 . 1 1 67 67 LEU HG H 1 1.790 0.020 . 1 . . . . A 67 LEU HG . 34052 1 607 . 1 1 67 67 LEU HD11 H 1 0.874 0.020 . 2 . . . . A 67 LEU HD11 . 34052 1 608 . 1 1 67 67 LEU HD12 H 1 0.874 0.020 . 2 . . . . A 67 LEU HD12 . 34052 1 609 . 1 1 67 67 LEU HD13 H 1 0.874 0.020 . 2 . . . . A 67 LEU HD13 . 34052 1 610 . 1 1 67 67 LEU HD21 H 1 0.836 0.020 . 2 . . . . A 67 LEU HD21 . 34052 1 611 . 1 1 67 67 LEU HD22 H 1 0.836 0.020 . 2 . . . . A 67 LEU HD22 . 34052 1 612 . 1 1 67 67 LEU HD23 H 1 0.836 0.020 . 2 . . . . A 67 LEU HD23 . 34052 1 613 . 1 1 67 67 LEU C C 13 178.618 0.3 . 1 . . . . A 67 LEU C . 34052 1 614 . 1 1 67 67 LEU CA C 13 57.019 0.3 . 1 . . . . A 67 LEU CA . 34052 1 615 . 1 1 67 67 LEU CB C 13 41.684 0.3 . 1 . . . . A 67 LEU CB . 34052 1 616 . 1 1 67 67 LEU CG C 13 27.264 0.3 . 1 . . . . A 67 LEU CG . 34052 1 617 . 1 1 67 67 LEU CD1 C 13 25.463 0.3 . 1 . . . . A 67 LEU CD1 . 34052 1 618 . 1 1 67 67 LEU CD2 C 13 23.934 0.3 . 1 . . . . A 67 LEU CD2 . 34052 1 619 . 1 1 67 67 LEU N N 15 117.031 0.3 . 1 . . . . A 67 LEU N . 34052 1 620 . 1 1 68 68 SER H H 1 7.900 0.020 . 1 . . . . A 68 SER H . 34052 1 621 . 1 1 68 68 SER HA H 1 4.315 0.020 . 1 . . . . A 68 SER HA . 34052 1 622 . 1 1 68 68 SER HB2 H 1 3.997 0.020 . 1 . . . . A 68 SER HB2 . 34052 1 623 . 1 1 68 68 SER HB3 H 1 3.997 0.020 . 1 . . . . A 68 SER HB3 . 34052 1 624 . 1 1 68 68 SER CA C 13 61.004 0.3 . 1 . . . . A 68 SER CA . 34052 1 625 . 1 1 68 68 SER CB C 13 63.582 0.3 . 1 . . . . A 68 SER CB . 34052 1 626 . 1 1 68 68 SER N N 15 113.247 0.3 . 1 . . . . A 68 SER N . 34052 1 627 . 1 1 69 69 ASN H H 1 7.922 0.020 . 1 . . . . A 69 ASN H . 34052 1 628 . 1 1 69 69 ASN HA H 1 4.724 0.020 . 1 . . . . A 69 ASN HA . 34052 1 629 . 1 1 69 69 ASN HB2 H 1 2.885 0.020 . 2 . . . . A 69 ASN HB2 . 34052 1 630 . 1 1 69 69 ASN HB3 H 1 2.814 0.020 . 2 . . . . A 69 ASN HB3 . 34052 1 631 . 1 1 69 69 ASN C C 13 176.138 0.3 . 1 . . . . A 69 ASN C . 34052 1 632 . 1 1 69 69 ASN CA C 13 54.931 0.3 . 1 . . . . A 69 ASN CA . 34052 1 633 . 1 1 69 69 ASN CB C 13 39.662 0.3 . 1 . . . . A 69 ASN CB . 34052 1 634 . 1 1 69 69 ASN N N 15 118.862 0.3 . 1 . . . . A 69 ASN N . 34052 1 635 . 1 1 70 70 ILE H H 1 7.822 0.020 . 1 . . . . A 70 ILE H . 34052 1 636 . 1 1 70 70 ILE HA H 1 4.158 0.020 . 1 . . . . A 70 ILE HA . 34052 1 637 . 1 1 70 70 ILE HB H 1 1.976 0.020 . 1 . . . . A 70 ILE HB . 34052 1 638 . 1 1 70 70 ILE HG12 H 1 1.606 0.020 . 2 . . . . A 70 ILE HG12 . 34052 1 639 . 1 1 70 70 ILE HG13 H 1 1.250 0.020 . 2 . . . . A 70 ILE HG13 . 34052 1 640 . 1 1 70 70 ILE HG21 H 1 0.927 0.020 . 1 . . . . A 70 ILE HG21 . 34052 1 641 . 1 1 70 70 ILE HG22 H 1 0.927 0.020 . 1 . . . . A 70 ILE HG22 . 34052 1 642 . 1 1 70 70 ILE HG23 H 1 0.927 0.020 . 1 . . . . A 70 ILE HG23 . 34052 1 643 . 1 1 70 70 ILE HD11 H 1 0.839 0.020 . 1 . . . . A 70 ILE HD11 . 34052 1 644 . 1 1 70 70 ILE HD12 H 1 0.839 0.020 . 1 . . . . A 70 ILE HD12 . 34052 1 645 . 1 1 70 70 ILE HD13 H 1 0.839 0.020 . 1 . . . . A 70 ILE HD13 . 34052 1 646 . 1 1 70 70 ILE C C 13 176.460 0.3 . 1 . . . . A 70 ILE C . 34052 1 647 . 1 1 70 70 ILE CA C 13 62.824 0.3 . 1 . . . . A 70 ILE CA . 34052 1 648 . 1 1 70 70 ILE CB C 13 38.656 0.3 . 1 . . . . A 70 ILE CB . 34052 1 649 . 1 1 70 70 ILE CG1 C 13 28.088 0.3 . 1 . . . . A 70 ILE CG1 . 34052 1 650 . 1 1 70 70 ILE CG2 C 13 17.786 0.3 . 1 . . . . A 70 ILE CG2 . 34052 1 651 . 1 1 70 70 ILE CD1 C 13 13.804 0.3 . 1 . . . . A 70 ILE CD1 . 34052 1 652 . 1 1 70 70 ILE N N 15 118.722 0.3 . 1 . . . . A 70 ILE N . 34052 1 653 . 1 1 71 71 ASN H H 1 8.365 0.020 . 1 . . . . A 71 ASN H . 34052 1 654 . 1 1 71 71 ASN HA H 1 4.844 0.020 . 1 . . . . A 71 ASN HA . 34052 1 655 . 1 1 71 71 ASN HB2 H 1 2.955 0.020 . 2 . . . . A 71 ASN HB2 . 34052 1 656 . 1 1 71 71 ASN HB3 H 1 2.826 0.020 . 2 . . . . A 71 ASN HB3 . 34052 1 657 . 1 1 71 71 ASN C C 13 176.141 0.3 . 1 . . . . A 71 ASN C . 34052 1 658 . 1 1 71 71 ASN CA C 13 53.995 0.3 . 1 . . . . A 71 ASN CA . 34052 1 659 . 1 1 71 71 ASN CB C 13 39.138 0.3 . 1 . . . . A 71 ASN CB . 34052 1 660 . 1 1 71 71 ASN N N 15 120.432 0.3 . 1 . . . . A 71 ASN N . 34052 1 661 . 1 1 72 72 THR H H 1 8.047 0.020 . 1 . . . . A 72 THR H . 34052 1 662 . 1 1 72 72 THR HA H 1 4.382 0.020 . 1 . . . . A 72 THR HA . 34052 1 663 . 1 1 72 72 THR HG21 H 1 1.277 0.020 . 1 . . . . A 72 THR HG21 . 34052 1 664 . 1 1 72 72 THR HG22 H 1 1.277 0.020 . 1 . . . . A 72 THR HG22 . 34052 1 665 . 1 1 72 72 THR HG23 H 1 1.277 0.020 . 1 . . . . A 72 THR HG23 . 34052 1 666 . 1 1 72 72 THR C C 13 175.580 0.3 . 1 . . . . A 72 THR C . 34052 1 667 . 1 1 72 72 THR CA C 13 62.504 0.3 . 1 . . . . A 72 THR CA . 34052 1 668 . 1 1 72 72 THR CB C 13 69.970 0.3 . 1 . . . . A 72 THR CB . 34052 1 669 . 1 1 72 72 THR CG2 C 13 21.986 0.3 . 1 . . . . A 72 THR CG2 . 34052 1 670 . 1 1 72 72 THR N N 15 111.933 0.3 . 1 . . . . A 72 THR N . 34052 1 671 . 1 1 73 73 GLY H H 1 8.275 0.020 . 1 . . . . A 73 GLY H . 34052 1 672 . 1 1 73 73 GLY HA2 H 1 4.071 0.020 . 1 . . . . A 73 GLY HA2 . 34052 1 673 . 1 1 73 73 GLY HA3 H 1 4.071 0.020 . 1 . . . . A 73 GLY HA3 . 34052 1 674 . 1 1 73 73 GLY C C 13 174.004 0.3 . 1 . . . . A 73 GLY C . 34052 1 675 . 1 1 73 73 GLY CA C 13 45.896 0.3 . 1 . . . . A 73 GLY CA . 34052 1 676 . 1 1 73 73 GLY N N 15 110.126 0.3 . 1 . . . . A 73 GLY N . 34052 1 677 . 1 1 74 74 LYS H H 1 7.881 0.020 . 1 . . . . A 74 LYS H . 34052 1 678 . 1 1 74 74 LYS HA H 1 4.723 0.020 . 1 . . . . A 74 LYS HA . 34052 1 679 . 1 1 74 74 LYS HB2 H 1 1.848 0.020 . 2 . . . . A 74 LYS HB2 . 34052 1 680 . 1 1 74 74 LYS HB3 H 1 1.691 0.020 . 2 . . . . A 74 LYS HB3 . 34052 1 681 . 1 1 74 74 LYS HG2 H 1 1.455 0.020 . 1 . . . . A 74 LYS HG2 . 34052 1 682 . 1 1 74 74 LYS HG3 H 1 1.455 0.020 . 1 . . . . A 74 LYS HG3 . 34052 1 683 . 1 1 74 74 LYS HD2 H 1 1.699 0.020 . 1 . . . . A 74 LYS HD2 . 34052 1 684 . 1 1 74 74 LYS HD3 H 1 1.699 0.020 . 1 . . . . A 74 LYS HD3 . 34052 1 685 . 1 1 74 74 LYS HE2 H 1 3.030 0.020 . 1 . . . . A 74 LYS HE2 . 34052 1 686 . 1 1 74 74 LYS HE3 H 1 3.030 0.020 . 1 . . . . A 74 LYS HE3 . 34052 1 687 . 1 1 74 74 LYS C C 13 174.135 0.3 . 1 . . . . A 74 LYS C . 34052 1 688 . 1 1 74 74 LYS CA C 13 53.991 0.3 . 1 . . . . A 74 LYS CA . 34052 1 689 . 1 1 74 74 LYS CB C 13 33.342 0.3 . 1 . . . . A 74 LYS CB . 34052 1 690 . 1 1 74 74 LYS CG C 13 24.808 0.3 . 1 . . . . A 74 LYS CG . 34052 1 691 . 1 1 74 74 LYS CD C 13 29.361 0.3 . 1 . . . . A 74 LYS CD . 34052 1 692 . 1 1 74 74 LYS CE C 13 42.500 0.3 . 1 . . . . A 74 LYS CE . 34052 1 693 . 1 1 74 74 LYS N N 15 121.352 0.3 . 1 . . . . A 74 LYS N . 34052 1 694 . 1 1 75 75 PRO HA H 1 4.727 0.020 . 1 . . . . A 75 PRO HA . 34052 1 695 . 1 1 75 75 PRO HB2 H 1 2.344 0.020 . 2 . . . . A 75 PRO HB2 . 34052 1 696 . 1 1 75 75 PRO HB3 H 1 1.973 0.020 . 2 . . . . A 75 PRO HB3 . 34052 1 697 . 1 1 75 75 PRO HG2 H 1 2.100 0.020 . 2 . . . . A 75 PRO HG2 . 34052 1 698 . 1 1 75 75 PRO HG3 H 1 2.019 0.020 . 2 . . . . A 75 PRO HG3 . 34052 1 699 . 1 1 75 75 PRO HD2 H 1 3.678 0.020 . 2 . . . . A 75 PRO HD2 . 34052 1 700 . 1 1 75 75 PRO HD3 H 1 3.861 0.020 . 2 . . . . A 75 PRO HD3 . 34052 1 701 . 1 1 75 75 PRO CA C 13 63.535 0.3 . 1 . . . . A 75 PRO CA . 34052 1 702 . 1 1 75 75 PRO CB C 13 32.630 0.3 . 1 . . . . A 75 PRO CB . 34052 1 703 . 1 1 75 75 PRO CG C 13 27.816 0.3 . 1 . . . . A 75 PRO CG . 34052 1 704 . 1 1 75 75 PRO CD C 13 50.885 0.3 . 1 . . . . A 75 PRO CD . 34052 1 705 . 1 1 76 76 GLY H H 1 8.631 0.020 . 1 . . . . A 76 GLY H . 34052 1 706 . 1 1 76 76 GLY HA2 H 1 4.188 0.020 . 2 . . . . A 76 GLY HA2 . 34052 1 707 . 1 1 76 76 GLY HA3 H 1 3.873 0.020 . 2 . . . . A 76 GLY HA3 . 34052 1 708 . 1 1 76 76 GLY C C 13 172.402 0.3 . 1 . . . . A 76 GLY C . 34052 1 709 . 1 1 76 76 GLY CA C 13 45.748 0.3 . 1 . . . . A 76 GLY CA . 34052 1 710 . 1 1 76 76 GLY N N 15 109.025 0.3 . 1 . . . . A 76 GLY N . 34052 1 711 . 1 1 77 77 ARG H H 1 8.064 0.020 . 1 . . . . A 77 ARG H . 34052 1 712 . 1 1 77 77 ARG HA H 1 5.381 0.020 . 1 . . . . A 77 ARG HA . 34052 1 713 . 1 1 77 77 ARG HB2 H 1 1.875 0.020 . 2 . . . . A 77 ARG HB2 . 34052 1 714 . 1 1 77 77 ARG HB3 H 1 1.735 0.020 . 2 . . . . A 77 ARG HB3 . 34052 1 715 . 1 1 77 77 ARG HG2 H 1 1.494 0.020 . 2 . . . . A 77 ARG HG2 . 34052 1 716 . 1 1 77 77 ARG HG3 H 1 1.439 0.020 . 2 . . . . A 77 ARG HG3 . 34052 1 717 . 1 1 77 77 ARG HD2 H 1 3.083 0.020 . 1 . . . . A 77 ARG HD2 . 34052 1 718 . 1 1 77 77 ARG HD3 H 1 3.083 0.020 . 1 . . . . A 77 ARG HD3 . 34052 1 719 . 1 1 77 77 ARG C C 13 175.516 0.3 . 1 . . . . A 77 ARG C . 34052 1 720 . 1 1 77 77 ARG CA C 13 55.284 0.3 . 1 . . . . A 77 ARG CA . 34052 1 721 . 1 1 77 77 ARG CB C 13 33.602 0.3 . 1 . . . . A 77 ARG CB . 34052 1 722 . 1 1 77 77 ARG CG C 13 27.373 0.3 . 1 . . . . A 77 ARG CG . 34052 1 723 . 1 1 77 77 ARG CD C 13 43.807 0.3 . 1 . . . . A 77 ARG CD . 34052 1 724 . 1 1 77 77 ARG N N 15 120.997 0.3 . 1 . . . . A 77 ARG N . 34052 1 725 . 1 1 78 78 MET H H 1 9.301 0.020 . 1 . . . . A 78 MET H . 34052 1 726 . 1 1 78 78 MET HA H 1 4.825 0.020 . 1 . . . . A 78 MET HA . 34052 1 727 . 1 1 78 78 MET HB2 H 1 2.024 0.020 . 2 . . . . A 78 MET HB2 . 34052 1 728 . 1 1 78 78 MET HB3 H 1 1.947 0.020 . 2 . . . . A 78 MET HB3 . 34052 1 729 . 1 1 78 78 MET HG2 H 1 2.484 0.020 . 2 . . . . A 78 MET HG2 . 34052 1 730 . 1 1 78 78 MET HG3 H 1 2.439 0.020 . 2 . . . . A 78 MET HG3 . 34052 1 731 . 1 1 78 78 MET C C 13 174.177 0.3 . 1 . . . . A 78 MET C . 34052 1 732 . 1 1 78 78 MET CA C 13 55.003 0.3 . 1 . . . . A 78 MET CA . 34052 1 733 . 1 1 78 78 MET CB C 13 36.341 0.3 . 1 . . . . A 78 MET CB . 34052 1 734 . 1 1 78 78 MET CG C 13 32.296 0.3 . 1 . . . . A 78 MET CG . 34052 1 735 . 1 1 78 78 MET N N 15 125.404 0.3 . 1 . . . . A 78 MET N . 34052 1 736 . 1 1 79 79 VAL H H 1 8.681 0.020 . 1 . . . . A 79 VAL H . 34052 1 737 . 1 1 79 79 VAL HA H 1 4.730 0.020 . 1 . . . . A 79 VAL HA . 34052 1 738 . 1 1 79 79 VAL HB H 1 2.030 0.020 . 1 . . . . A 79 VAL HB . 34052 1 739 . 1 1 79 79 VAL HG11 H 1 0.954 0.020 . 2 . . . . A 79 VAL HG11 . 34052 1 740 . 1 1 79 79 VAL HG12 H 1 0.954 0.020 . 2 . . . . A 79 VAL HG12 . 34052 1 741 . 1 1 79 79 VAL HG13 H 1 0.954 0.020 . 2 . . . . A 79 VAL HG13 . 34052 1 742 . 1 1 79 79 VAL HG21 H 1 0.942 0.020 . 2 . . . . A 79 VAL HG21 . 34052 1 743 . 1 1 79 79 VAL HG22 H 1 0.942 0.020 . 2 . . . . A 79 VAL HG22 . 34052 1 744 . 1 1 79 79 VAL HG23 H 1 0.942 0.020 . 2 . . . . A 79 VAL HG23 . 34052 1 745 . 1 1 79 79 VAL C C 13 176.065 0.3 . 1 . . . . A 79 VAL C . 34052 1 746 . 1 1 79 79 VAL CA C 13 62.451 0.3 . 1 . . . . A 79 VAL CA . 34052 1 747 . 1 1 79 79 VAL CB C 13 34.101 0.3 . 1 . . . . A 79 VAL CB . 34052 1 748 . 1 1 79 79 VAL CG1 C 13 21.512 0.3 . 1 . . . . A 79 VAL CG1 . 34052 1 749 . 1 1 79 79 VAL CG2 C 13 21.759 0.3 . 1 . . . . A 79 VAL CG2 . 34052 1 750 . 1 1 79 79 VAL N N 15 124.508 0.3 . 1 . . . . A 79 VAL N . 34052 1 751 . 1 1 80 80 THR H H 1 9.119 0.020 . 1 . . . . A 80 THR H . 34052 1 752 . 1 1 80 80 THR HA H 1 4.932 0.020 . 1 . . . . A 80 THR HA . 34052 1 753 . 1 1 80 80 THR HB H 1 4.716 0.020 . 1 . . . . A 80 THR HB . 34052 1 754 . 1 1 80 80 THR HG21 H 1 1.213 0.020 . 1 . . . . A 80 THR HG21 . 34052 1 755 . 1 1 80 80 THR HG22 H 1 1.213 0.020 . 1 . . . . A 80 THR HG22 . 34052 1 756 . 1 1 80 80 THR HG23 H 1 1.213 0.020 . 1 . . . . A 80 THR HG23 . 34052 1 757 . 1 1 80 80 THR C C 13 174.544 0.3 . 1 . . . . A 80 THR C . 34052 1 758 . 1 1 80 80 THR CA C 13 59.558 0.3 . 1 . . . . A 80 THR CA . 34052 1 759 . 1 1 80 80 THR CB C 13 71.127 0.3 . 1 . . . . A 80 THR CB . 34052 1 760 . 1 1 80 80 THR CG2 C 13 22.124 0.3 . 1 . . . . A 80 THR CG2 . 34052 1 761 . 1 1 80 80 THR N N 15 118.830 0.3 . 1 . . . . A 80 THR N . 34052 1 762 . 1 1 81 81 ASN H H 1 8.881 0.020 . 1 . . . . A 81 ASN H . 34052 1 763 . 1 1 81 81 ASN HA H 1 4.291 0.020 . 1 . . . . A 81 ASN HA . 34052 1 764 . 1 1 81 81 ASN HB2 H 1 2.757 0.020 . 1 . . . . A 81 ASN HB2 . 34052 1 765 . 1 1 81 81 ASN HB3 H 1 2.757 0.020 . 1 . . . . A 81 ASN HB3 . 34052 1 766 . 1 1 81 81 ASN HD21 H 1 7.671 0.020 . 1 . . . . A 81 ASN HD21 . 34052 1 767 . 1 1 81 81 ASN HD22 H 1 6.918 0.020 . 1 . . . . A 81 ASN HD22 . 34052 1 768 . 1 1 81 81 ASN C C 13 176.215 0.3 . 1 . . . . A 81 ASN C . 34052 1 769 . 1 1 81 81 ASN CA C 13 57.076 0.3 . 1 . . . . A 81 ASN CA . 34052 1 770 . 1 1 81 81 ASN CB C 13 38.589 0.3 . 1 . . . . A 81 ASN CB . 34052 1 771 . 1 1 81 81 ASN N N 15 117.307 0.3 . 1 . . . . A 81 ASN N . 34052 1 772 . 1 1 81 81 ASN ND2 N 15 113.263 0.3 . 1 . . . . A 81 ASN ND2 . 34052 1 773 . 1 1 82 82 ASP H H 1 7.944 0.020 . 1 . . . . A 82 ASP H . 34052 1 774 . 1 1 82 82 ASP HA H 1 4.665 0.020 . 1 . . . . A 82 ASP HA . 34052 1 775 . 1 1 82 82 ASP HB2 H 1 2.133 0.020 . 1 . . . . A 82 ASP HB2 . 34052 1 776 . 1 1 82 82 ASP HB3 H 1 2.133 0.020 . 1 . . . . A 82 ASP HB3 . 34052 1 777 . 1 1 82 82 ASP CA C 13 55.437 0.3 . 1 . . . . A 82 ASP CA . 34052 1 778 . 1 1 82 82 ASP CB C 13 43.868 0.3 . 1 . . . . A 82 ASP CB . 34052 1 779 . 1 1 82 82 ASP N N 15 113.044 0.3 . 1 . . . . A 82 ASP N . 34052 1 780 . 1 1 83 83 TYR H H 1 7.764 0.020 . 1 . . . . A 83 TYR H . 34052 1 781 . 1 1 83 83 TYR HA H 1 5.671 0.020 . 1 . . . . A 83 TYR HA . 34052 1 782 . 1 1 83 83 TYR HB2 H 1 2.865 0.020 . 2 . . . . A 83 TYR HB2 . 34052 1 783 . 1 1 83 83 TYR HB3 H 1 2.522 0.020 . 2 . . . . A 83 TYR HB3 . 34052 1 784 . 1 1 83 83 TYR HD1 H 1 6.933 0.020 . 1 . . . . A 83 TYR HD1 . 34052 1 785 . 1 1 83 83 TYR HD2 H 1 6.933 0.020 . 1 . . . . A 83 TYR HD2 . 34052 1 786 . 1 1 83 83 TYR HE1 H 1 6.755 0.020 . 1 . . . . A 83 TYR HE1 . 34052 1 787 . 1 1 83 83 TYR HE2 H 1 6.755 0.020 . 1 . . . . A 83 TYR HE2 . 34052 1 788 . 1 1 83 83 TYR C C 13 174.523 0.3 . 1 . . . . A 83 TYR C . 34052 1 789 . 1 1 83 83 TYR CA C 13 57.606 0.3 . 1 . . . . A 83 TYR CA . 34052 1 790 . 1 1 83 83 TYR CB C 13 43.651 0.3 . 1 . . . . A 83 TYR CB . 34052 1 791 . 1 1 83 83 TYR CD1 C 13 133.864 0.3 . 1 . . . . A 83 TYR CD1 . 34052 1 792 . 1 1 83 83 TYR CD2 C 13 133.864 0.3 . 1 . . . . A 83 TYR CD2 . 34052 1 793 . 1 1 83 83 TYR CE1 C 13 117.993 0.3 . 1 . . . . A 83 TYR CE1 . 34052 1 794 . 1 1 83 83 TYR CE2 C 13 117.993 0.3 . 1 . . . . A 83 TYR CE2 . 34052 1 795 . 1 1 83 83 TYR N N 15 117.129 0.3 . 1 . . . . A 83 TYR N . 34052 1 796 . 1 1 84 84 ILE H H 1 8.872 0.020 . 1 . . . . A 84 ILE H . 34052 1 797 . 1 1 84 84 ILE HA H 1 4.715 0.020 . 1 . . . . A 84 ILE HA . 34052 1 798 . 1 1 84 84 ILE HB H 1 1.713 0.020 . 1 . . . . A 84 ILE HB . 34052 1 799 . 1 1 84 84 ILE HG12 H 1 1.577 0.020 . 2 . . . . A 84 ILE HG12 . 34052 1 800 . 1 1 84 84 ILE HG13 H 1 1.150 0.020 . 2 . . . . A 84 ILE HG13 . 34052 1 801 . 1 1 84 84 ILE HG21 H 1 0.908 0.020 . 1 . . . . A 84 ILE HG21 . 34052 1 802 . 1 1 84 84 ILE HG22 H 1 0.908 0.020 . 1 . . . . A 84 ILE HG22 . 34052 1 803 . 1 1 84 84 ILE HG23 H 1 0.908 0.020 . 1 . . . . A 84 ILE HG23 . 34052 1 804 . 1 1 84 84 ILE HD11 H 1 0.895 0.020 . 1 . . . . A 84 ILE HD11 . 34052 1 805 . 1 1 84 84 ILE HD12 H 1 0.895 0.020 . 1 . . . . A 84 ILE HD12 . 34052 1 806 . 1 1 84 84 ILE HD13 H 1 0.895 0.020 . 1 . . . . A 84 ILE HD13 . 34052 1 807 . 1 1 84 84 ILE C C 13 175.847 0.3 . 1 . . . . A 84 ILE C . 34052 1 808 . 1 1 84 84 ILE CA C 13 61.438 0.3 . 1 . . . . A 84 ILE CA . 34052 1 809 . 1 1 84 84 ILE CB C 13 40.876 0.3 . 1 . . . . A 84 ILE CB . 34052 1 810 . 1 1 84 84 ILE CG1 C 13 28.211 0.3 . 1 . . . . A 84 ILE CG1 . 34052 1 811 . 1 1 84 84 ILE CG2 C 13 18.011 0.3 . 1 . . . . A 84 ILE CG2 . 34052 1 812 . 1 1 84 84 ILE CD1 C 13 13.855 0.3 . 1 . . . . A 84 ILE CD1 . 34052 1 813 . 1 1 84 84 ILE N N 15 120.073 0.3 . 1 . . . . A 84 ILE N . 34052 1 814 . 1 1 85 85 VAL H H 1 9.322 0.020 . 1 . . . . A 85 VAL H . 34052 1 815 . 1 1 85 85 VAL HA H 1 5.002 0.020 . 1 . . . . A 85 VAL HA . 34052 1 816 . 1 1 85 85 VAL HB H 1 2.109 0.020 . 1 . . . . A 85 VAL HB . 34052 1 817 . 1 1 85 85 VAL HG11 H 1 0.900 0.020 . 2 . . . . A 85 VAL HG11 . 34052 1 818 . 1 1 85 85 VAL HG12 H 1 0.900 0.020 . 2 . . . . A 85 VAL HG12 . 34052 1 819 . 1 1 85 85 VAL HG13 H 1 0.900 0.020 . 2 . . . . A 85 VAL HG13 . 34052 1 820 . 1 1 85 85 VAL HG21 H 1 0.833 0.020 . 2 . . . . A 85 VAL HG21 . 34052 1 821 . 1 1 85 85 VAL HG22 H 1 0.833 0.020 . 2 . . . . A 85 VAL HG22 . 34052 1 822 . 1 1 85 85 VAL HG23 H 1 0.833 0.020 . 2 . . . . A 85 VAL HG23 . 34052 1 823 . 1 1 85 85 VAL C C 13 173.917 0.3 . 1 . . . . A 85 VAL C . 34052 1 824 . 1 1 85 85 VAL CA C 13 61.366 0.3 . 1 . . . . A 85 VAL CA . 34052 1 825 . 1 1 85 85 VAL CB C 13 34.339 0.3 . 1 . . . . A 85 VAL CB . 34052 1 826 . 1 1 85 85 VAL CG1 C 13 21.368 0.3 . 1 . . . . A 85 VAL CG1 . 34052 1 827 . 1 1 85 85 VAL CG2 C 13 21.661 0.3 . 1 . . . . A 85 VAL CG2 . 34052 1 828 . 1 1 85 85 VAL N N 15 128.020 0.3 . 1 . . . . A 85 VAL N . 34052 1 829 . 1 1 86 86 ASP H H 1 9.045 0.020 . 1 . . . . A 86 ASP H . 34052 1 830 . 1 1 86 86 ASP HA H 1 5.555 0.020 . 1 . . . . A 86 ASP HA . 34052 1 831 . 1 1 86 86 ASP HB2 H 1 2.577 0.020 . 2 . . . . A 86 ASP HB2 . 34052 1 832 . 1 1 86 86 ASP HB3 H 1 2.696 0.020 . 2 . . . . A 86 ASP HB3 . 34052 1 833 . 1 1 86 86 ASP C C 13 175.438 0.3 . 1 . . . . A 86 ASP C . 34052 1 834 . 1 1 86 86 ASP CA C 13 53.701 0.3 . 1 . . . . A 86 ASP CA . 34052 1 835 . 1 1 86 86 ASP CB C 13 45.045 0.3 . 1 . . . . A 86 ASP CB . 34052 1 836 . 1 1 86 86 ASP N N 15 126.711 0.3 . 1 . . . . A 86 ASP N . 34052 1 837 . 1 1 87 87 ILE H H 1 8.779 0.020 . 1 . . . . A 87 ILE H . 34052 1 838 . 1 1 87 87 ILE HA H 1 4.934 0.020 . 1 . . . . A 87 ILE HA . 34052 1 839 . 1 1 87 87 ILE HB H 1 1.697 0.020 . 1 . . . . A 87 ILE HB . 34052 1 840 . 1 1 87 87 ILE HG12 H 1 1.571 0.020 . 2 . . . . A 87 ILE HG12 . 34052 1 841 . 1 1 87 87 ILE HG13 H 1 0.962 0.020 . 2 . . . . A 87 ILE HG13 . 34052 1 842 . 1 1 87 87 ILE HG21 H 1 0.841 0.020 . 1 . . . . A 87 ILE HG21 . 34052 1 843 . 1 1 87 87 ILE HG22 H 1 0.841 0.020 . 1 . . . . A 87 ILE HG22 . 34052 1 844 . 1 1 87 87 ILE HG23 H 1 0.841 0.020 . 1 . . . . A 87 ILE HG23 . 34052 1 845 . 1 1 87 87 ILE HD11 H 1 0.798 0.020 . 1 . . . . A 87 ILE HD11 . 34052 1 846 . 1 1 87 87 ILE HD12 H 1 0.798 0.020 . 1 . . . . A 87 ILE HD12 . 34052 1 847 . 1 1 87 87 ILE HD13 H 1 0.798 0.020 . 1 . . . . A 87 ILE HD13 . 34052 1 848 . 1 1 87 87 ILE C C 13 174.582 0.3 . 1 . . . . A 87 ILE C . 34052 1 849 . 1 1 87 87 ILE CA C 13 60.788 0.3 . 1 . . . . A 87 ILE CA . 34052 1 850 . 1 1 87 87 ILE CB C 13 40.588 0.3 . 1 . . . . A 87 ILE CB . 34052 1 851 . 1 1 87 87 ILE CG1 C 13 28.339 0.3 . 1 . . . . A 87 ILE CG1 . 34052 1 852 . 1 1 87 87 ILE CG2 C 13 18.103 0.3 . 1 . . . . A 87 ILE CG2 . 34052 1 853 . 1 1 87 87 ILE CD1 C 13 14.406 0.3 . 1 . . . . A 87 ILE CD1 . 34052 1 854 . 1 1 87 87 ILE N N 15 122.317 0.3 . 1 . . . . A 87 ILE N . 34052 1 855 . 1 1 88 88 ALA H H 1 8.834 0.020 . 1 . . . . A 88 ALA H . 34052 1 856 . 1 1 88 88 ALA HA H 1 4.729 0.020 . 1 . . . . A 88 ALA HA . 34052 1 857 . 1 1 88 88 ALA HB1 H 1 1.362 0.020 . 1 . . . . A 88 ALA HB1 . 34052 1 858 . 1 1 88 88 ALA HB2 H 1 1.362 0.020 . 1 . . . . A 88 ALA HB2 . 34052 1 859 . 1 1 88 88 ALA HB3 H 1 1.362 0.020 . 1 . . . . A 88 ALA HB3 . 34052 1 860 . 1 1 88 88 ALA C C 13 175.413 0.3 . 1 . . . . A 88 ALA C . 34052 1 861 . 1 1 88 88 ALA CA C 13 51.243 0.3 . 1 . . . . A 88 ALA CA . 34052 1 862 . 1 1 88 88 ALA CB C 13 22.726 0.3 . 1 . . . . A 88 ALA CB . 34052 1 863 . 1 1 88 88 ALA N N 15 128.774 0.3 . 1 . . . . A 88 ALA N . 34052 1 864 . 1 1 89 89 ASN H H 1 8.641 0.020 . 1 . . . . A 89 ASN H . 34052 1 865 . 1 1 89 89 ASN HA H 1 5.219 0.020 . 1 . . . . A 89 ASN HA . 34052 1 866 . 1 1 89 89 ASN HB2 H 1 2.807 0.020 . 2 . . . . A 89 ASN HB2 . 34052 1 867 . 1 1 89 89 ASN HB3 H 1 2.442 0.020 . 2 . . . . A 89 ASN HB3 . 34052 1 868 . 1 1 89 89 ASN HD21 H 1 6.636 0.020 . 1 . . . . A 89 ASN HD21 . 34052 1 869 . 1 1 89 89 ASN HD22 H 1 7.267 0.020 . 1 . . . . A 89 ASN HD22 . 34052 1 870 . 1 1 89 89 ASN C C 13 175.292 0.3 . 1 . . . . A 89 ASN C . 34052 1 871 . 1 1 89 89 ASN CA C 13 52.469 0.3 . 1 . . . . A 89 ASN CA . 34052 1 872 . 1 1 89 89 ASN CB C 13 40.316 0.3 . 1 . . . . A 89 ASN CB . 34052 1 873 . 1 1 89 89 ASN N N 15 119.669 0.3 . 1 . . . . A 89 ASN N . 34052 1 874 . 1 1 89 89 ASN ND2 N 15 109.683 0.3 . 1 . . . . A 89 ASN ND2 . 34052 1 875 . 1 1 90 90 ARG H H 1 8.681 0.020 . 1 . . . . A 90 ARG H . 34052 1 876 . 1 1 90 90 ARG HA H 1 4.557 0.020 . 1 . . . . A 90 ARG HA . 34052 1 877 . 1 1 90 90 ARG HB2 H 1 1.778 0.020 . 2 . . . . A 90 ARG HB2 . 34052 1 878 . 1 1 90 90 ARG HB3 H 1 1.653 0.020 . 2 . . . . A 90 ARG HB3 . 34052 1 879 . 1 1 90 90 ARG HG2 H 1 1.557 0.020 . 2 . . . . A 90 ARG HG2 . 34052 1 880 . 1 1 90 90 ARG HG3 H 1 1.502 0.020 . 2 . . . . A 90 ARG HG3 . 34052 1 881 . 1 1 90 90 ARG HD2 H 1 3.169 0.020 . 1 . . . . A 90 ARG HD2 . 34052 1 882 . 1 1 90 90 ARG HD3 H 1 3.169 0.020 . 1 . . . . A 90 ARG HD3 . 34052 1 883 . 1 1 90 90 ARG C C 13 175.937 0.3 . 1 . . . . A 90 ARG C . 34052 1 884 . 1 1 90 90 ARG CA C 13 55.437 0.3 . 1 . . . . A 90 ARG CA . 34052 1 885 . 1 1 90 90 ARG CB C 13 31.685 0.3 . 1 . . . . A 90 ARG CB . 34052 1 886 . 1 1 90 90 ARG CG C 13 27.273 0.3 . 1 . . . . A 90 ARG CG . 34052 1 887 . 1 1 90 90 ARG CD C 13 43.591 0.3 . 1 . . . . A 90 ARG CD . 34052 1 888 . 1 1 90 90 ARG N N 15 125.064 0.3 . 1 . . . . A 90 ARG N . 34052 1 889 . 1 1 91 91 ASP H H 1 9.121 0.020 . 1 . . . . A 91 ASP H . 34052 1 890 . 1 1 91 91 ASP HA H 1 4.315 0.020 . 1 . . . . A 91 ASP HA . 34052 1 891 . 1 1 91 91 ASP HB2 H 1 2.635 0.020 . 1 . . . . A 91 ASP HB2 . 34052 1 892 . 1 1 91 91 ASP HB3 H 1 2.635 0.020 . 1 . . . . A 91 ASP HB3 . 34052 1 893 . 1 1 91 91 ASP CA C 13 55.595 0.3 . 1 . . . . A 91 ASP CA . 34052 1 894 . 1 1 91 91 ASP CB C 13 40.134 0.3 . 1 . . . . A 91 ASP CB . 34052 1 895 . 1 1 91 91 ASP N N 15 124.388 0.3 . 1 . . . . A 91 ASP N . 34052 1 896 . 1 1 92 92 GLY H H 1 8.376 0.020 . 1 . . . . A 92 GLY H . 34052 1 897 . 1 1 92 92 GLY HA2 H 1 4.205 0.020 . 2 . . . . A 92 GLY HA2 . 34052 1 898 . 1 1 92 92 GLY HA3 H 1 3.661 0.020 . 2 . . . . A 92 GLY HA3 . 34052 1 899 . 1 1 92 92 GLY C C 13 174.150 0.3 . 1 . . . . A 92 GLY C . 34052 1 900 . 1 1 92 92 GLY CA C 13 45.965 0.3 . 1 . . . . A 92 GLY CA . 34052 1 901 . 1 1 92 92 GLY N N 15 105.030 0.3 . 1 . . . . A 92 GLY N . 34052 1 902 . 1 1 93 93 GLN H H 1 7.723 0.020 . 1 . . . . A 93 GLN H . 34052 1 903 . 1 1 93 93 GLN HA H 1 4.682 0.020 . 1 . . . . A 93 GLN HA . 34052 1 904 . 1 1 93 93 GLN HB2 H 1 2.111 0.020 . 2 . . . . A 93 GLN HB2 . 34052 1 905 . 1 1 93 93 GLN HB3 H 1 1.995 0.020 . 2 . . . . A 93 GLN HB3 . 34052 1 906 . 1 1 93 93 GLN HG2 H 1 2.317 0.020 . 2 . . . . A 93 GLN HG2 . 34052 1 907 . 1 1 93 93 GLN HG3 H 1 2.260 0.020 . 2 . . . . A 93 GLN HG3 . 34052 1 908 . 1 1 93 93 GLN HE21 H 1 7.429 0.020 . 1 . . . . A 93 GLN HE21 . 34052 1 909 . 1 1 93 93 GLN HE22 H 1 6.770 0.020 . 1 . . . . A 93 GLN HE22 . 34052 1 910 . 1 1 93 93 GLN C C 13 174.811 0.3 . 1 . . . . A 93 GLN C . 34052 1 911 . 1 1 93 93 GLN CA C 13 54.204 0.3 . 1 . . . . A 93 GLN CA . 34052 1 912 . 1 1 93 93 GLN CB C 13 31.173 0.3 . 1 . . . . A 93 GLN CB . 34052 1 913 . 1 1 93 93 GLN CG C 13 34.127 0.3 . 1 . . . . A 93 GLN CG . 34052 1 914 . 1 1 93 93 GLN N N 15 118.999 0.3 . 1 . . . . A 93 GLN N . 34052 1 915 . 1 1 93 93 GLN NE2 N 15 110.829 0.3 . 1 . . . . A 93 GLN NE2 . 34052 1 916 . 1 1 94 94 LEU H H 1 8.581 0.020 . 1 . . . . A 94 LEU H . 34052 1 917 . 1 1 94 94 LEU HA H 1 4.879 0.020 . 1 . . . . A 94 LEU HA . 34052 1 918 . 1 1 94 94 LEU HB2 H 1 1.551 0.020 . 1 . . . . A 94 LEU HB2 . 34052 1 919 . 1 1 94 94 LEU HB3 H 1 1.551 0.020 . 1 . . . . A 94 LEU HB3 . 34052 1 920 . 1 1 94 94 LEU HG H 1 1.526 0.020 . 1 . . . . A 94 LEU HG . 34052 1 921 . 1 1 94 94 LEU HD11 H 1 0.771 0.020 . 2 . . . . A 94 LEU HD11 . 34052 1 922 . 1 1 94 94 LEU HD12 H 1 0.771 0.020 . 2 . . . . A 94 LEU HD12 . 34052 1 923 . 1 1 94 94 LEU HD13 H 1 0.771 0.020 . 2 . . . . A 94 LEU HD13 . 34052 1 924 . 1 1 94 94 LEU HD21 H 1 0.839 0.020 . 2 . . . . A 94 LEU HD21 . 34052 1 925 . 1 1 94 94 LEU HD22 H 1 0.839 0.020 . 2 . . . . A 94 LEU HD22 . 34052 1 926 . 1 1 94 94 LEU HD23 H 1 0.839 0.020 . 2 . . . . A 94 LEU HD23 . 34052 1 927 . 1 1 94 94 LEU C C 13 175.937 0.3 . 1 . . . . A 94 LEU C . 34052 1 928 . 1 1 94 94 LEU CA C 13 54.641 0.3 . 1 . . . . A 94 LEU CA . 34052 1 929 . 1 1 94 94 LEU CB C 13 43.579 0.3 . 1 . . . . A 94 LEU CB . 34052 1 930 . 1 1 94 94 LEU CG C 13 27.580 0.3 . 1 . . . . A 94 LEU CG . 34052 1 931 . 1 1 94 94 LEU CD1 C 13 25.130 0.3 . 1 . . . . A 94 LEU CD1 . 34052 1 932 . 1 1 94 94 LEU CD2 C 13 25.015 0.3 . 1 . . . . A 94 LEU CD2 . 34052 1 933 . 1 1 94 94 LEU N N 15 124.916 0.3 . 1 . . . . A 94 LEU N . 34052 1 934 . 1 1 95 95 GLN H H 1 9.021 0.020 . 1 . . . . A 95 GLN H . 34052 1 935 . 1 1 95 95 GLN HA H 1 5.038 0.020 . 1 . . . . A 95 GLN HA . 34052 1 936 . 1 1 95 95 GLN HB2 H 1 1.938 0.020 . 1 . . . . A 95 GLN HB2 . 34052 1 937 . 1 1 95 95 GLN HB3 H 1 1.938 0.020 . 1 . . . . A 95 GLN HB3 . 34052 1 938 . 1 1 95 95 GLN HG2 H 1 2.173 0.020 . 1 . . . . A 95 GLN HG2 . 34052 1 939 . 1 1 95 95 GLN HG3 H 1 2.173 0.020 . 1 . . . . A 95 GLN HG3 . 34052 1 940 . 1 1 95 95 GLN HE21 H 1 7.512 0.020 . 1 . . . . A 95 GLN HE21 . 34052 1 941 . 1 1 95 95 GLN HE22 H 1 6.808 0.020 . 1 . . . . A 95 GLN HE22 . 34052 1 942 . 1 1 95 95 GLN C C 13 174.147 0.3 . 1 . . . . A 95 GLN C . 34052 1 943 . 1 1 95 95 GLN CA C 13 54.763 0.3 . 1 . . . . A 95 GLN CA . 34052 1 944 . 1 1 95 95 GLN CB C 13 32.280 0.3 . 1 . . . . A 95 GLN CB . 34052 1 945 . 1 1 95 95 GLN CG C 13 34.351 0.3 . 1 . . . . A 95 GLN CG . 34052 1 946 . 1 1 95 95 GLN N N 15 123.857 0.3 . 1 . . . . A 95 GLN N . 34052 1 947 . 1 1 95 95 GLN NE2 N 15 111.347 0.3 . 1 . . . . A 95 GLN NE2 . 34052 1 948 . 1 1 96 96 LEU H H 1 9.096 0.020 . 1 . . . . A 96 LEU H . 34052 1 949 . 1 1 96 96 LEU HA H 1 5.182 0.020 . 1 . . . . A 96 LEU HA . 34052 1 950 . 1 1 96 96 LEU HB2 H 1 1.558 0.020 . 2 . . . . A 96 LEU HB2 . 34052 1 951 . 1 1 96 96 LEU HB3 H 1 1.415 0.020 . 2 . . . . A 96 LEU HB3 . 34052 1 952 . 1 1 96 96 LEU HG H 1 1.539 0.020 . 1 . . . . A 96 LEU HG . 34052 1 953 . 1 1 96 96 LEU HD11 H 1 0.728 0.020 . 1 . . . . A 96 LEU HD11 . 34052 1 954 . 1 1 96 96 LEU HD12 H 1 0.728 0.020 . 1 . . . . A 96 LEU HD12 . 34052 1 955 . 1 1 96 96 LEU HD13 H 1 0.728 0.020 . 1 . . . . A 96 LEU HD13 . 34052 1 956 . 1 1 96 96 LEU C C 13 175.061 0.3 . 1 . . . . A 96 LEU C . 34052 1 957 . 1 1 96 96 LEU CA C 13 53.805 0.3 . 1 . . . . A 96 LEU CA . 34052 1 958 . 1 1 96 96 LEU CB C 13 44.100 0.3 . 1 . . . . A 96 LEU CB . 34052 1 959 . 1 1 96 96 LEU CG C 13 27.767 0.3 . 1 . . . . A 96 LEU CG . 34052 1 960 . 1 1 96 96 LEU CD1 C 13 25.639 0.3 . 1 . . . . A 96 LEU CD1 . 34052 1 961 . 1 1 96 96 LEU N N 15 124.264 0.3 . 1 . . . . A 96 LEU N . 34052 1 962 . 1 1 97 97 ASN H H 1 9.186 0.020 . 1 . . . . A 97 ASN H . 34052 1 963 . 1 1 97 97 ASN HA H 1 5.555 0.020 . 1 . . . . A 97 ASN HA . 34052 1 964 . 1 1 97 97 ASN HB2 H 1 2.617 0.020 . 2 . . . . A 97 ASN HB2 . 34052 1 965 . 1 1 97 97 ASN HB3 H 1 2.829 0.020 . 2 . . . . A 97 ASN HB3 . 34052 1 966 . 1 1 97 97 ASN HD21 H 1 6.642 0.020 . 1 . . . . A 97 ASN HD21 . 34052 1 967 . 1 1 97 97 ASN HD22 H 1 7.515 0.020 . 1 . . . . A 97 ASN HD22 . 34052 1 968 . 1 1 97 97 ASN C C 13 174.908 0.3 . 1 . . . . A 97 ASN C . 34052 1 969 . 1 1 97 97 ASN CA C 13 52.390 0.3 . 1 . . . . A 97 ASN CA . 34052 1 970 . 1 1 97 97 ASN CB C 13 40.903 0.3 . 1 . . . . A 97 ASN CB . 34052 1 971 . 1 1 97 97 ASN N N 15 123.603 0.3 . 1 . . . . A 97 ASN N . 34052 1 972 . 1 1 97 97 ASN ND2 N 15 112.287 0.3 . 1 . . . . A 97 ASN ND2 . 34052 1 973 . 1 1 98 98 VAL H H 1 9.288 0.020 . 1 . . . . A 98 VAL H . 34052 1 974 . 1 1 98 98 VAL HA H 1 4.939 0.020 . 1 . . . . A 98 VAL HA . 34052 1 975 . 1 1 98 98 VAL HB H 1 2.017 0.020 . 1 . . . . A 98 VAL HB . 34052 1 976 . 1 1 98 98 VAL HG11 H 1 0.807 0.020 . 2 . . . . A 98 VAL HG11 . 34052 1 977 . 1 1 98 98 VAL HG12 H 1 0.807 0.020 . 2 . . . . A 98 VAL HG12 . 34052 1 978 . 1 1 98 98 VAL HG13 H 1 0.807 0.020 . 2 . . . . A 98 VAL HG13 . 34052 1 979 . 1 1 98 98 VAL HG21 H 1 0.760 0.020 . 2 . . . . A 98 VAL HG21 . 34052 1 980 . 1 1 98 98 VAL HG22 H 1 0.760 0.020 . 2 . . . . A 98 VAL HG22 . 34052 1 981 . 1 1 98 98 VAL HG23 H 1 0.760 0.020 . 2 . . . . A 98 VAL HG23 . 34052 1 982 . 1 1 98 98 VAL CA C 13 61.583 0.3 . 1 . . . . A 98 VAL CA . 34052 1 983 . 1 1 98 98 VAL CB C 13 34.124 0.3 . 1 . . . . A 98 VAL CB . 34052 1 984 . 1 1 98 98 VAL CG1 C 13 21.200 0.3 . 1 . . . . A 98 VAL CG1 . 34052 1 985 . 1 1 98 98 VAL CG2 C 13 22.067 0.3 . 1 . . . . A 98 VAL CG2 . 34052 1 986 . 1 1 98 98 VAL N N 15 125.384 0.3 . 1 . . . . A 98 VAL N . 34052 1 987 . 1 1 99 99 THR H H 1 9.634 0.020 . 1 . . . . A 99 THR H . 34052 1 988 . 1 1 99 99 THR HA H 1 5.121 0.020 . 1 . . . . A 99 THR HA . 34052 1 989 . 1 1 99 99 THR HB H 1 3.946 0.020 . 1 . . . . A 99 THR HB . 34052 1 990 . 1 1 99 99 THR HG21 H 1 0.955 0.020 . 1 . . . . A 99 THR HG21 . 34052 1 991 . 1 1 99 99 THR HG22 H 1 0.955 0.020 . 1 . . . . A 99 THR HG22 . 34052 1 992 . 1 1 99 99 THR HG23 H 1 0.955 0.020 . 1 . . . . A 99 THR HG23 . 34052 1 993 . 1 1 99 99 THR C C 13 174.196 0.3 . 1 . . . . A 99 THR C . 34052 1 994 . 1 1 99 99 THR CA C 13 62.089 0.3 . 1 . . . . A 99 THR CA . 34052 1 995 . 1 1 99 99 THR CB C 13 71.203 0.3 . 1 . . . . A 99 THR CB . 34052 1 996 . 1 1 99 99 THR CG2 C 13 20.627 0.3 . 1 . . . . A 99 THR CG2 . 34052 1 997 . 1 1 99 99 THR N N 15 125.160 0.3 . 1 . . . . A 99 THR N . 34052 1 998 . 1 1 100 100 ASP H H 1 8.760 0.020 . 1 . . . . A 100 ASP H . 34052 1 999 . 1 1 100 100 ASP HB2 H 1 3.226 0.020 . 2 . . . . A 100 ASP HB2 . 34052 1 1000 . 1 1 100 100 ASP HB3 H 1 2.647 0.020 . 2 . . . . A 100 ASP HB3 . 34052 1 1001 . 1 1 100 100 ASP C C 13 177.099 0.3 . 1 . . . . A 100 ASP C . 34052 1 1002 . 1 1 100 100 ASP CA C 13 54.135 0.3 . 1 . . . . A 100 ASP CA . 34052 1 1003 . 1 1 100 100 ASP CB C 13 42.892 0.3 . 1 . . . . A 100 ASP CB . 34052 1 1004 . 1 1 100 100 ASP N N 15 128.105 0.3 . 1 . . . . A 100 ASP N . 34052 1 1005 . 1 1 101 101 ARG H H 1 8.385 0.020 . 1 . . . . A 101 ARG H . 34052 1 1006 . 1 1 101 101 ARG HA H 1 3.936 0.020 . 1 . . . . A 101 ARG HA . 34052 1 1007 . 1 1 101 101 ARG HB2 H 1 2.063 0.020 . 2 . . . . A 101 ARG HB2 . 34052 1 1008 . 1 1 101 101 ARG HB3 H 1 1.435 0.020 . 2 . . . . A 101 ARG HB3 . 34052 1 1009 . 1 1 101 101 ARG HG2 H 1 1.563 0.020 . 2 . . . . A 101 ARG HG2 . 34052 1 1010 . 1 1 101 101 ARG HG3 H 1 1.456 0.020 . 2 . . . . A 101 ARG HG3 . 34052 1 1011 . 1 1 101 101 ARG HD2 H 1 2.923 0.020 . 1 . . . . A 101 ARG HD2 . 34052 1 1012 . 1 1 101 101 ARG HD3 H 1 2.923 0.020 . 1 . . . . A 101 ARG HD3 . 34052 1 1013 . 1 1 101 101 ARG C C 13 177.535 0.3 . 1 . . . . A 101 ARG C . 34052 1 1014 . 1 1 101 101 ARG CA C 13 59.596 0.3 . 1 . . . . A 101 ARG CA . 34052 1 1015 . 1 1 101 101 ARG CB C 13 30.932 0.3 . 1 . . . . A 101 ARG CB . 34052 1 1016 . 1 1 101 101 ARG CG C 13 28.335 0.3 . 1 . . . . A 101 ARG CG . 34052 1 1017 . 1 1 101 101 ARG CD C 13 43.743 0.3 . 1 . . . . A 101 ARG CD . 34052 1 1018 . 1 1 101 101 ARG N N 15 126.219 0.3 . 1 . . . . A 101 ARG N . 34052 1 1019 . 1 1 102 102 LYS H H 1 8.776 0.020 . 1 . . . . A 102 LYS H . 34052 1 1020 . 1 1 102 102 LYS HA H 1 4.257 0.020 . 1 . . . . A 102 LYS HA . 34052 1 1021 . 1 1 102 102 LYS HB2 H 1 2.036 0.020 . 2 . . . . A 102 LYS HB2 . 34052 1 1022 . 1 1 102 102 LYS HB3 H 1 1.905 0.020 . 2 . . . . A 102 LYS HB3 . 34052 1 1023 . 1 1 102 102 LYS HG2 H 1 1.538 0.020 . 2 . . . . A 102 LYS HG2 . 34052 1 1024 . 1 1 102 102 LYS HG3 H 1 1.391 0.020 . 2 . . . . A 102 LYS HG3 . 34052 1 1025 . 1 1 102 102 LYS HD2 H 1 1.707 0.020 . 1 . . . . A 102 LYS HD2 . 34052 1 1026 . 1 1 102 102 LYS HD3 H 1 1.707 0.020 . 1 . . . . A 102 LYS HD3 . 34052 1 1027 . 1 1 102 102 LYS HE2 H 1 3.006 0.020 . 1 . . . . A 102 LYS HE2 . 34052 1 1028 . 1 1 102 102 LYS HE3 H 1 3.006 0.020 . 1 . . . . A 102 LYS HE3 . 34052 1 1029 . 1 1 102 102 LYS C C 13 178.813 0.3 . 1 . . . . A 102 LYS C . 34052 1 1030 . 1 1 102 102 LYS CA C 13 58.774 0.3 . 1 . . . . A 102 LYS CA . 34052 1 1031 . 1 1 102 102 LYS CB C 13 32.787 0.3 . 1 . . . . A 102 LYS CB . 34052 1 1032 . 1 1 102 102 LYS CG C 13 25.470 0.3 . 1 . . . . A 102 LYS CG . 34052 1 1033 . 1 1 102 102 LYS CD C 13 29.003 0.3 . 1 . . . . A 102 LYS CD . 34052 1 1034 . 1 1 102 102 LYS CE C 13 42.210 0.3 . 1 . . . . A 102 LYS CE . 34052 1 1035 . 1 1 102 102 LYS N N 15 117.925 0.3 . 1 . . . . A 102 LYS N . 34052 1 1036 . 1 1 103 103 THR H H 1 7.707 0.020 . 1 . . . . A 103 THR H . 34052 1 1037 . 1 1 103 103 THR HA H 1 4.436 0.020 . 1 . . . . A 103 THR HA . 34052 1 1038 . 1 1 103 103 THR HG21 H 1 1.216 0.020 . 1 . . . . A 103 THR HG21 . 34052 1 1039 . 1 1 103 103 THR HG22 H 1 1.216 0.020 . 1 . . . . A 103 THR HG22 . 34052 1 1040 . 1 1 103 103 THR HG23 H 1 1.216 0.020 . 1 . . . . A 103 THR HG23 . 34052 1 1041 . 1 1 103 103 THR C C 13 176.995 0.3 . 1 . . . . A 103 THR C . 34052 1 1042 . 1 1 103 103 THR CA C 13 61.872 0.3 . 1 . . . . A 103 THR CA . 34052 1 1043 . 1 1 103 103 THR CB C 13 71.272 0.3 . 1 . . . . A 103 THR CB . 34052 1 1044 . 1 1 103 103 THR CG2 C 13 21.410 0.3 . 1 . . . . A 103 THR CG2 . 34052 1 1045 . 1 1 103 103 THR N N 15 106.371 0.3 . 1 . . . . A 103 THR N . 34052 1 1046 . 1 1 104 104 GLY H H 1 8.573 0.020 . 1 . . . . A 104 GLY H . 34052 1 1047 . 1 1 104 104 GLY HA2 H 1 4.200 0.020 . 2 . . . . A 104 GLY HA2 . 34052 1 1048 . 1 1 104 104 GLY HA3 H 1 3.639 0.020 . 2 . . . . A 104 GLY HA3 . 34052 1 1049 . 1 1 104 104 GLY C C 13 174.173 0.3 . 1 . . . . A 104 GLY C . 34052 1 1050 . 1 1 104 104 GLY CA C 13 45.820 0.3 . 1 . . . . A 104 GLY CA . 34052 1 1051 . 1 1 104 104 GLY N N 15 111.642 0.3 . 1 . . . . A 104 GLY N . 34052 1 1052 . 1 1 105 105 GLN H H 1 7.812 0.020 . 1 . . . . A 105 GLN H . 34052 1 1053 . 1 1 105 105 GLN HA H 1 4.356 0.020 . 1 . . . . A 105 GLN HA . 34052 1 1054 . 1 1 105 105 GLN HB2 H 1 2.117 0.020 . 2 . . . . A 105 GLN HB2 . 34052 1 1055 . 1 1 105 105 GLN HB3 H 1 2.008 0.020 . 2 . . . . A 105 GLN HB3 . 34052 1 1056 . 1 1 105 105 GLN HG2 H 1 2.384 0.020 . 1 . . . . A 105 GLN HG2 . 34052 1 1057 . 1 1 105 105 GLN HG3 H 1 2.384 0.020 . 1 . . . . A 105 GLN HG3 . 34052 1 1058 . 1 1 105 105 GLN C C 13 176.061 0.3 . 1 . . . . A 105 GLN C . 34052 1 1059 . 1 1 105 105 GLN CA C 13 56.811 0.3 . 1 . . . . A 105 GLN CA . 34052 1 1060 . 1 1 105 105 GLN CB C 13 30.071 0.3 . 1 . . . . A 105 GLN CB . 34052 1 1061 . 1 1 105 105 GLN CG C 13 34.205 0.3 . 1 . . . . A 105 GLN CG . 34052 1 1062 . 1 1 105 105 GLN N N 15 119.739 0.3 . 1 . . . . A 105 GLN N . 34052 1 1063 . 1 1 106 106 THR H H 1 8.701 0.020 . 1 . . . . A 106 THR H . 34052 1 1064 . 1 1 106 106 THR HA H 1 5.512 0.020 . 1 . . . . A 106 THR HA . 34052 1 1065 . 1 1 106 106 THR HB H 1 3.951 0.020 . 1 . . . . A 106 THR HB . 34052 1 1066 . 1 1 106 106 THR HG21 H 1 1.138 0.020 . 1 . . . . A 106 THR HG21 . 34052 1 1067 . 1 1 106 106 THR HG22 H 1 1.138 0.020 . 1 . . . . A 106 THR HG22 . 34052 1 1068 . 1 1 106 106 THR HG23 H 1 1.138 0.020 . 1 . . . . A 106 THR HG23 . 34052 1 1069 . 1 1 106 106 THR C C 13 174.600 0.3 . 1 . . . . A 106 THR C . 34052 1 1070 . 1 1 106 106 THR CA C 13 61.494 0.3 . 1 . . . . A 106 THR CA . 34052 1 1071 . 1 1 106 106 THR CB C 13 71.489 0.3 . 1 . . . . A 106 THR CB . 34052 1 1072 . 1 1 106 106 THR CG2 C 13 21.793 0.3 . 1 . . . . A 106 THR CG2 . 34052 1 1073 . 1 1 106 106 THR N N 15 119.977 0.3 . 1 . . . . A 106 THR N . 34052 1 1074 . 1 1 107 107 SER H H 1 9.078 0.020 . 1 . . . . A 107 SER H . 34052 1 1075 . 1 1 107 107 SER HA H 1 4.864 0.020 . 1 . . . . A 107 SER HA . 34052 1 1076 . 1 1 107 107 SER HB2 H 1 3.798 0.020 . 2 . . . . A 107 SER HB2 . 34052 1 1077 . 1 1 107 107 SER HB3 H 1 3.697 0.020 . 2 . . . . A 107 SER HB3 . 34052 1 1078 . 1 1 107 107 SER C C 13 173.074 0.3 . 1 . . . . A 107 SER C . 34052 1 1079 . 1 1 107 107 SER CA C 13 57.895 0.3 . 1 . . . . A 107 SER CA . 34052 1 1080 . 1 1 107 107 SER CB C 13 66.017 0.3 . 1 . . . . A 107 SER CB . 34052 1 1081 . 1 1 107 107 SER N N 15 121.355 0.3 . 1 . . . . A 107 SER N . 34052 1 1082 . 1 1 108 108 THR H H 1 8.661 0.020 . 1 . . . . A 108 THR H . 34052 1 1083 . 1 1 108 108 THR HA H 1 5.379 0.020 . 1 . . . . A 108 THR HA . 34052 1 1084 . 1 1 108 108 THR HB H 1 3.859 0.020 . 1 . . . . A 108 THR HB . 34052 1 1085 . 1 1 108 108 THR HG21 H 1 1.131 0.020 . 1 . . . . A 108 THR HG21 . 34052 1 1086 . 1 1 108 108 THR HG22 H 1 1.131 0.020 . 1 . . . . A 108 THR HG22 . 34052 1 1087 . 1 1 108 108 THR HG23 H 1 1.131 0.020 . 1 . . . . A 108 THR HG23 . 34052 1 1088 . 1 1 108 108 THR C C 13 174.138 0.3 . 1 . . . . A 108 THR C . 34052 1 1089 . 1 1 108 108 THR CA C 13 61.886 0.3 . 1 . . . . A 108 THR CA . 34052 1 1090 . 1 1 108 108 THR CB C 13 71.544 0.3 . 1 . . . . A 108 THR CB . 34052 1 1091 . 1 1 108 108 THR CG2 C 13 21.924 0.3 . 1 . . . . A 108 THR CG2 . 34052 1 1092 . 1 1 108 108 THR N N 15 120.211 0.3 . 1 . . . . A 108 THR N . 34052 1 1093 . 1 1 109 109 ILE H H 1 9.141 0.020 . 1 . . . . A 109 ILE H . 34052 1 1094 . 1 1 109 109 ILE HA H 1 4.502 0.020 . 1 . . . . A 109 ILE HA . 34052 1 1095 . 1 1 109 109 ILE HB H 1 1.798 0.020 . 1 . . . . A 109 ILE HB . 34052 1 1096 . 1 1 109 109 ILE HG12 H 1 1.479 0.020 . 2 . . . . A 109 ILE HG12 . 34052 1 1097 . 1 1 109 109 ILE HG13 H 1 1.124 0.020 . 2 . . . . A 109 ILE HG13 . 34052 1 1098 . 1 1 109 109 ILE HG21 H 1 0.844 0.020 . 1 . . . . A 109 ILE HG21 . 34052 1 1099 . 1 1 109 109 ILE HG22 H 1 0.844 0.020 . 1 . . . . A 109 ILE HG22 . 34052 1 1100 . 1 1 109 109 ILE HG23 H 1 0.844 0.020 . 1 . . . . A 109 ILE HG23 . 34052 1 1101 . 1 1 109 109 ILE HD11 H 1 0.782 0.020 . 1 . . . . A 109 ILE HD11 . 34052 1 1102 . 1 1 109 109 ILE HD12 H 1 0.782 0.020 . 1 . . . . A 109 ILE HD12 . 34052 1 1103 . 1 1 109 109 ILE HD13 H 1 0.782 0.020 . 1 . . . . A 109 ILE HD13 . 34052 1 1104 . 1 1 109 109 ILE C C 13 174.850 0.3 . 1 . . . . A 109 ILE C . 34052 1 1105 . 1 1 109 109 ILE CA C 13 60.209 0.3 . 1 . . . . A 109 ILE CA . 34052 1 1106 . 1 1 109 109 ILE CB C 13 41.506 0.3 . 1 . . . . A 109 ILE CB . 34052 1 1107 . 1 1 109 109 ILE CG1 C 13 27.867 0.3 . 1 . . . . A 109 ILE CG1 . 34052 1 1108 . 1 1 109 109 ILE CG2 C 13 18.059 0.3 . 1 . . . . A 109 ILE CG2 . 34052 1 1109 . 1 1 109 109 ILE CD1 C 13 14.021 0.3 . 1 . . . . A 109 ILE CD1 . 34052 1 1110 . 1 1 109 109 ILE N N 15 126.476 0.3 . 1 . . . . A 109 ILE N . 34052 1 1111 . 1 1 110 110 GLN H H 1 8.738 0.020 . 1 . . . . A 110 GLN H . 34052 1 1112 . 1 1 110 110 GLN HA H 1 4.912 0.020 . 1 . . . . A 110 GLN HA . 34052 1 1113 . 1 1 110 110 GLN HB2 H 1 2.038 0.020 . 1 . . . . A 110 GLN HB2 . 34052 1 1114 . 1 1 110 110 GLN HB3 H 1 2.038 0.020 . 1 . . . . A 110 GLN HB3 . 34052 1 1115 . 1 1 110 110 GLN HG2 H 1 2.304 0.020 . 1 . . . . A 110 GLN HG2 . 34052 1 1116 . 1 1 110 110 GLN HG3 H 1 2.304 0.020 . 1 . . . . A 110 GLN HG3 . 34052 1 1117 . 1 1 110 110 GLN HE21 H 1 7.427 0.020 . 1 . . . . A 110 GLN HE21 . 34052 1 1118 . 1 1 110 110 GLN HE22 H 1 6.751 0.020 . 1 . . . . A 110 GLN HE22 . 34052 1 1119 . 1 1 110 110 GLN C C 13 175.745 0.3 . 1 . . . . A 110 GLN C . 34052 1 1120 . 1 1 110 110 GLN CA C 13 55.581 0.3 . 1 . . . . A 110 GLN CA . 34052 1 1121 . 1 1 110 110 GLN CB C 13 30.446 0.3 . 1 . . . . A 110 GLN CB . 34052 1 1122 . 1 1 110 110 GLN CG C 13 34.347 0.3 . 1 . . . . A 110 GLN CG . 34052 1 1123 . 1 1 110 110 GLN N N 15 126.243 0.3 . 1 . . . . A 110 GLN N . 34052 1 1124 . 1 1 110 110 GLN NE2 N 15 111.197 0.3 . 1 . . . . A 110 GLN NE2 . 34052 1 1125 . 1 1 111 111 VAL H H 1 8.588 0.020 . 1 . . . . A 111 VAL H . 34052 1 1126 . 1 1 111 111 VAL HA H 1 4.380 0.020 . 1 . . . . A 111 VAL HA . 34052 1 1127 . 1 1 111 111 VAL HB H 1 2.095 0.020 . 1 . . . . A 111 VAL HB . 34052 1 1128 . 1 1 111 111 VAL HG11 H 1 0.927 0.020 . 2 . . . . A 111 VAL HG11 . 34052 1 1129 . 1 1 111 111 VAL HG12 H 1 0.927 0.020 . 2 . . . . A 111 VAL HG12 . 34052 1 1130 . 1 1 111 111 VAL HG13 H 1 0.927 0.020 . 2 . . . . A 111 VAL HG13 . 34052 1 1131 . 1 1 111 111 VAL HG21 H 1 0.838 0.020 . 2 . . . . A 111 VAL HG21 . 34052 1 1132 . 1 1 111 111 VAL HG22 H 1 0.838 0.020 . 2 . . . . A 111 VAL HG22 . 34052 1 1133 . 1 1 111 111 VAL HG23 H 1 0.838 0.020 . 2 . . . . A 111 VAL HG23 . 34052 1 1134 . 1 1 111 111 VAL C C 13 175.600 0.3 . 1 . . . . A 111 VAL C . 34052 1 1135 . 1 1 111 111 VAL CA C 13 62.523 0.3 . 1 . . . . A 111 VAL CA . 34052 1 1136 . 1 1 111 111 VAL CB C 13 33.359 0.3 . 1 . . . . A 111 VAL CB . 34052 1 1137 . 1 1 111 111 VAL CG1 C 13 21.956 0.3 . 1 . . . . A 111 VAL CG1 . 34052 1 1138 . 1 1 111 111 VAL CG2 C 13 21.270 0.3 . 1 . . . . A 111 VAL CG2 . 34052 1 1139 . 1 1 111 111 VAL N N 15 122.891 0.3 . 1 . . . . A 111 VAL N . 34052 1 1140 . 1 1 112 112 SER H H 1 8.444 0.020 . 1 . . . . A 112 SER H . 34052 1 1141 . 1 1 112 112 SER HB2 H 1 3.929 0.020 . 1 . . . . A 112 SER HB2 . 34052 1 1142 . 1 1 112 112 SER HB3 H 1 3.929 0.020 . 1 . . . . A 112 SER HB3 . 34052 1 1143 . 1 1 112 112 SER C C 13 174.787 0.3 . 1 . . . . A 112 SER C . 34052 1 1144 . 1 1 112 112 SER CA C 13 58.763 0.3 . 1 . . . . A 112 SER CA . 34052 1 1145 . 1 1 112 112 SER CB C 13 64.692 0.3 . 1 . . . . A 112 SER CB . 34052 1 1146 . 1 1 112 112 SER N N 15 118.749 0.3 . 1 . . . . A 112 SER N . 34052 1 1147 . 1 1 113 113 GLY H H 1 8.380 0.020 . 1 . . . . A 113 GLY H . 34052 1 1148 . 1 1 113 113 GLY HA2 H 1 4.052 0.020 . 1 . . . . A 113 GLY HA2 . 34052 1 1149 . 1 1 113 113 GLY HA3 H 1 4.052 0.020 . 1 . . . . A 113 GLY HA3 . 34052 1 1150 . 1 1 113 113 GLY C C 13 174.589 0.3 . 1 . . . . A 113 GLY C . 34052 1 1151 . 1 1 113 113 GLY CA C 13 45.820 0.3 . 1 . . . . A 113 GLY CA . 34052 1 1152 . 1 1 113 113 GLY N N 15 109.109 0.3 . 1 . . . . A 113 GLY N . 34052 1 1153 . 1 1 114 114 LEU H H 1 8.097 0.020 . 1 . . . . A 114 LEU H . 34052 1 1154 . 1 1 114 114 LEU HA H 1 4.335 0.020 . 1 . . . . A 114 LEU HA . 34052 1 1155 . 1 1 114 114 LEU HB2 H 1 1.609 0.020 . 1 . . . . A 114 LEU HB2 . 34052 1 1156 . 1 1 114 114 LEU HB3 H 1 1.609 0.020 . 1 . . . . A 114 LEU HB3 . 34052 1 1157 . 1 1 114 114 LEU HG H 1 1.603 0.020 . 1 . . . . A 114 LEU HG . 34052 1 1158 . 1 1 114 114 LEU HD11 H 1 0.877 0.020 . 2 . . . . A 114 LEU HD11 . 34052 1 1159 . 1 1 114 114 LEU HD12 H 1 0.877 0.020 . 2 . . . . A 114 LEU HD12 . 34052 1 1160 . 1 1 114 114 LEU HD13 H 1 0.877 0.020 . 2 . . . . A 114 LEU HD13 . 34052 1 1161 . 1 1 114 114 LEU HD21 H 1 0.841 0.020 . 2 . . . . A 114 LEU HD21 . 34052 1 1162 . 1 1 114 114 LEU HD22 H 1 0.841 0.020 . 2 . . . . A 114 LEU HD22 . 34052 1 1163 . 1 1 114 114 LEU HD23 H 1 0.841 0.020 . 2 . . . . A 114 LEU HD23 . 34052 1 1164 . 1 1 114 114 LEU C C 13 177.420 0.3 . 1 . . . . A 114 LEU C . 34052 1 1165 . 1 1 114 114 LEU CA C 13 55.598 0.3 . 1 . . . . A 114 LEU CA . 34052 1 1166 . 1 1 114 114 LEU CB C 13 42.639 0.3 . 1 . . . . A 114 LEU CB . 34052 1 1167 . 1 1 114 114 LEU CG C 13 27.344 0.3 . 1 . . . . A 114 LEU CG . 34052 1 1168 . 1 1 114 114 LEU CD1 C 13 25.565 0.3 . 1 . . . . A 114 LEU CD1 . 34052 1 1169 . 1 1 114 114 LEU CD2 C 13 23.854 0.3 . 1 . . . . A 114 LEU CD2 . 34052 1 1170 . 1 1 114 114 LEU N N 15 120.444 0.3 . 1 . . . . A 114 LEU N . 34052 1 1171 . 1 1 115 115 GLN H H 1 8.357 0.020 . 1 . . . . A 115 GLN H . 34052 1 1172 . 1 1 115 115 GLN HA H 1 4.349 0.020 . 1 . . . . A 115 GLN HA . 34052 1 1173 . 1 1 115 115 GLN HB2 H 1 2.120 0.020 . 2 . . . . A 115 GLN HB2 . 34052 1 1174 . 1 1 115 115 GLN HB3 H 1 1.994 0.020 . 2 . . . . A 115 GLN HB3 . 34052 1 1175 . 1 1 115 115 GLN HG2 H 1 2.336 0.020 . 1 . . . . A 115 GLN HG2 . 34052 1 1176 . 1 1 115 115 GLN HG3 H 1 2.336 0.020 . 1 . . . . A 115 GLN HG3 . 34052 1 1177 . 1 1 115 115 GLN C C 13 175.899 0.3 . 1 . . . . A 115 GLN C . 34052 1 1178 . 1 1 115 115 GLN CA C 13 55.943 0.3 . 1 . . . . A 115 GLN CA . 34052 1 1179 . 1 1 115 115 GLN CB C 13 29.696 0.3 . 1 . . . . A 115 GLN CB . 34052 1 1180 . 1 1 115 115 GLN CG C 13 34.127 0.3 . 1 . . . . A 115 GLN CG . 34052 1 1181 . 1 1 115 115 GLN N N 15 119.626 0.3 . 1 . . . . A 115 GLN N . 34052 1 1182 . 1 1 116 116 ASN H H 1 8.416 0.020 . 1 . . . . A 116 ASN H . 34052 1 1183 . 1 1 116 116 ASN C C 13 175.196 0.3 . 1 . . . . A 116 ASN C . 34052 1 1184 . 1 1 116 116 ASN CA C 13 53.593 0.3 . 1 . . . . A 116 ASN CA . 34052 1 1185 . 1 1 116 116 ASN CB C 13 39.108 0.3 . 1 . . . . A 116 ASN CB . 34052 1 1186 . 1 1 116 116 ASN N N 15 119.679 0.3 . 1 . . . . A 116 ASN N . 34052 1 1187 . 1 1 117 117 ASN H H 1 8.433 0.020 . 1 . . . . A 117 ASN H . 34052 1 1188 . 1 1 117 117 ASN C C 13 175.669 0.3 . 1 . . . . A 117 ASN C . 34052 1 1189 . 1 1 117 117 ASN CA C 13 53.679 0.3 . 1 . . . . A 117 ASN CA . 34052 1 1190 . 1 1 117 117 ASN N N 15 119.287 0.3 . 1 . . . . A 117 ASN N . 34052 1 1191 . 1 1 118 118 SER H H 1 8.298 0.020 . 1 . . . . A 118 SER H . 34052 1 1192 . 1 1 118 118 SER HA H 1 4.491 0.020 . 1 . . . . A 118 SER HA . 34052 1 1193 . 1 1 118 118 SER HB2 H 1 3.930 0.020 . 1 . . . . A 118 SER HB2 . 34052 1 1194 . 1 1 118 118 SER HB3 H 1 3.930 0.020 . 1 . . . . A 118 SER HB3 . 34052 1 1195 . 1 1 118 118 SER C C 13 175.234 0.3 . 1 . . . . A 118 SER C . 34052 1 1196 . 1 1 118 118 SER CA C 13 59.197 0.3 . 1 . . . . A 118 SER CA . 34052 1 1197 . 1 1 118 118 SER CB C 13 64.186 0.3 . 1 . . . . A 118 SER CB . 34052 1 1198 . 1 1 118 118 SER N N 15 115.826 0.3 . 1 . . . . A 118 SER N . 34052 1 1199 . 1 1 119 119 THR H H 1 8.148 0.020 . 1 . . . . A 119 THR H . 34052 1 1200 . 1 1 119 119 THR HA H 1 4.301 0.020 . 1 . . . . A 119 THR HA . 34052 1 1201 . 1 1 119 119 THR HG21 H 1 1.129 0.020 . 1 . . . . A 119 THR HG21 . 34052 1 1202 . 1 1 119 119 THR HG22 H 1 1.129 0.020 . 1 . . . . A 119 THR HG22 . 34052 1 1203 . 1 1 119 119 THR HG23 H 1 1.129 0.020 . 1 . . . . A 119 THR HG23 . 34052 1 1204 . 1 1 119 119 THR C C 13 174.504 0.3 . 1 . . . . A 119 THR C . 34052 1 1205 . 1 1 119 119 THR CA C 13 62.451 0.3 . 1 . . . . A 119 THR CA . 34052 1 1206 . 1 1 119 119 THR CB C 13 69.754 0.3 . 1 . . . . A 119 THR CB . 34052 1 1207 . 1 1 119 119 THR CG2 C 13 21.835 0.3 . 1 . . . . A 119 THR CG2 . 34052 1 1208 . 1 1 119 119 THR N N 15 115.049 0.3 . 1 . . . . A 119 THR N . 34052 1 1209 . 1 1 120 120 ASP H H 1 8.171 0.020 . 1 . . . . A 120 ASP H . 34052 1 1210 . 1 1 120 120 ASP C C 13 176.320 0.3 . 1 . . . . A 120 ASP C . 34052 1 1211 . 1 1 120 120 ASP CA C 13 54.497 0.3 . 1 . . . . A 120 ASP CA . 34052 1 1212 . 1 1 120 120 ASP CB C 13 41.409 0.3 . 1 . . . . A 120 ASP CB . 34052 1 1213 . 1 1 120 120 ASP N N 15 122.169 0.3 . 1 . . . . A 120 ASP N . 34052 1 1214 . 1 1 121 121 PHE H H 1 8.071 0.020 . 1 . . . . A 121 PHE H . 34052 1 1215 . 1 1 121 121 PHE HA H 1 4.477 0.020 . 1 . . . . A 121 PHE HA . 34052 1 1216 . 1 1 121 121 PHE HB2 H 1 2.990 0.020 . 1 . . . . A 121 PHE HB2 . 34052 1 1217 . 1 1 121 121 PHE HB3 H 1 2.990 0.020 . 1 . . . . A 121 PHE HB3 . 34052 1 1218 . 1 1 121 121 PHE C C 13 176.039 0.3 . 1 . . . . A 121 PHE C . 34052 1 1219 . 1 1 121 121 PHE CA C 13 58.546 0.3 . 1 . . . . A 121 PHE CA . 34052 1 1220 . 1 1 121 121 PHE CB C 13 39.457 0.3 . 1 . . . . A 121 PHE CB . 34052 1 1221 . 1 1 121 121 PHE N N 15 120.388 0.3 . 1 . . . . A 121 PHE N . 34052 1 stop_ save_