data_26314 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 26314 _Entry.Title ; Backbone 1H, 13C, 15N and Side chain CB Chemical Shift Assignments for Paip2A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-09-07 _Entry.Accession_date 2021-09-12 _Entry.Last_release_date 2021-09-12 _Entry.Original_release_date 2021-09-12 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _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 Takeru Sagae . . . . 26314 2 Mariko Yokogawa . . . . 26314 3 Masanori Osawa . . . . 26314 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Keio University Faculty of Pharmacy Division of Physics for Life Functions' . 26314 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26314 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 325 26314 '15N chemical shifts' 100 26314 '1H chemical shifts' 100 26314 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2022-05-11 . original BMRB . 26314 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26315 'Backbone 1H, 15N and HA Chemical Shift Assignments for Paip2A(25-83)' 26314 BMRB 26316 'Backbone 1H, 13C, 15N, HA and Side chain 13C Chemical Shift Assignments for RRM2 of PABPC1' 26314 BMRB 26317 'Backbone 1H, 13C, 15N, HA and Side Chain 13C Chemical Shift Assignments for RRM3 of PABPC1' 26314 BMRB 26318 'Backbone 1H, 13C, 15N and CB Chemical Shift Assignments for RRM2/3' 26314 BMRB 26319 'Backbone 1H, 13C, 15N and CB Chemical Shift Assignments for RRM2/3 when in complex with 12mers of adenine' 26314 BMRB 26320 'Backbone 1H, 13C, and 15N Chemical Shift Assignments for RRM2/3 in complex with Paip2A(25-83)' 26314 BMRB 26323 'Backbone 1H, 13C, and 15N Chemical Shift Assignments for Paip2A(25-83) in complex with RRM2/3' 26314 BMRB 26326 'CA, CB, and CO Chemical Shift Assignments for Paip2A(25-83)' 26314 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 26314 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35307347 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Paip2 competitively dissociates PABPC1 from poly(A) by initial access to RRM2 of the poly(A)-bound PABPC1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 298 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 101844 _Citation.Page_last 101844 _Citation.Year 2022 _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 Takeru Sagae . . . . 26314 1 2 Mariko Yokogawa . . . . 26314 1 3 Ryoichi Sawazaki . . . . 26314 1 4 Yuichiro Ishii . . . . 26314 1 5 Nao Hosoda . . . . 26314 1 6 Shin-ichi Hoshino . . . . 26314 1 7 Shunsuke Imai . . . . 26314 1 8 Ichio Shimada . . . . 26314 1 9 Masanori Osawa . . . . 26314 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 26314 _Assembly.ID 1 _Assembly.Name 'Paip2A monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 15396 _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 'subunit 1' 1 $entity_1 . . yes native yes no . . . 26314 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Translational repression' 26314 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 26314 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Paip2A _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGSMKDPSRSSTSPSIIN EDVIINGHSHEDDNPFAEYM WMENEEEFNRQIEEELWEEE FIERCFQEMLEEEEEHEWFI PARDLPQTMDQIQDQFNDLV ISDGSSLEDLVVKSNLNPNA KEFVPGVKYGNI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 132 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15396 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Translational repression' 26314 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -5 GLY . 26314 1 2 -4 PRO . 26314 1 3 -3 LEU . 26314 1 4 -2 GLY . 26314 1 5 -1 SER . 26314 1 6 1 MET . 26314 1 7 2 LYS . 26314 1 8 3 ASP . 26314 1 9 4 PRO . 26314 1 10 5 SER . 26314 1 11 6 ARG . 26314 1 12 7 SER . 26314 1 13 8 SER . 26314 1 14 9 THR . 26314 1 15 10 SER . 26314 1 16 11 PRO . 26314 1 17 12 SER . 26314 1 18 13 ILE . 26314 1 19 14 ILE . 26314 1 20 15 ASN . 26314 1 21 16 GLU . 26314 1 22 17 ASP . 26314 1 23 18 VAL . 26314 1 24 19 ILE . 26314 1 25 20 ILE . 26314 1 26 21 ASN . 26314 1 27 22 GLY . 26314 1 28 23 HIS . 26314 1 29 24 SER . 26314 1 30 25 HIS . 26314 1 31 26 GLU . 26314 1 32 27 ASP . 26314 1 33 28 ASP . 26314 1 34 29 ASN . 26314 1 35 30 PRO . 26314 1 36 31 PHE . 26314 1 37 32 ALA . 26314 1 38 33 GLU . 26314 1 39 34 TYR . 26314 1 40 35 MET . 26314 1 41 36 TRP . 26314 1 42 37 MET . 26314 1 43 38 GLU . 26314 1 44 39 ASN . 26314 1 45 40 GLU . 26314 1 46 41 GLU . 26314 1 47 42 GLU . 26314 1 48 43 PHE . 26314 1 49 44 ASN . 26314 1 50 45 ARG . 26314 1 51 46 GLN . 26314 1 52 47 ILE . 26314 1 53 48 GLU . 26314 1 54 49 GLU . 26314 1 55 50 GLU . 26314 1 56 51 LEU . 26314 1 57 52 TRP . 26314 1 58 53 GLU . 26314 1 59 54 GLU . 26314 1 60 55 GLU . 26314 1 61 56 PHE . 26314 1 62 57 ILE . 26314 1 63 58 GLU . 26314 1 64 59 ARG . 26314 1 65 60 CYS . 26314 1 66 61 PHE . 26314 1 67 62 GLN . 26314 1 68 63 GLU . 26314 1 69 64 MET . 26314 1 70 65 LEU . 26314 1 71 66 GLU . 26314 1 72 67 GLU . 26314 1 73 68 GLU . 26314 1 74 69 GLU . 26314 1 75 70 GLU . 26314 1 76 71 HIS . 26314 1 77 72 GLU . 26314 1 78 73 TRP . 26314 1 79 74 PHE . 26314 1 80 75 ILE . 26314 1 81 76 PRO . 26314 1 82 77 ALA . 26314 1 83 78 ARG . 26314 1 84 79 ASP . 26314 1 85 80 LEU . 26314 1 86 81 PRO . 26314 1 87 82 GLN . 26314 1 88 83 THR . 26314 1 89 84 MET . 26314 1 90 85 ASP . 26314 1 91 86 GLN . 26314 1 92 87 ILE . 26314 1 93 88 GLN . 26314 1 94 89 ASP . 26314 1 95 90 GLN . 26314 1 96 91 PHE . 26314 1 97 92 ASN . 26314 1 98 93 ASP . 26314 1 99 94 LEU . 26314 1 100 95 VAL . 26314 1 101 96 ILE . 26314 1 102 97 SER . 26314 1 103 98 ASP . 26314 1 104 99 GLY . 26314 1 105 100 SER . 26314 1 106 101 SER . 26314 1 107 102 LEU . 26314 1 108 103 GLU . 26314 1 109 104 ASP . 26314 1 110 105 LEU . 26314 1 111 106 VAL . 26314 1 112 107 VAL . 26314 1 113 108 LYS . 26314 1 114 109 SER . 26314 1 115 110 ASN . 26314 1 116 111 LEU . 26314 1 117 112 ASN . 26314 1 118 113 PRO . 26314 1 119 114 ASN . 26314 1 120 115 ALA . 26314 1 121 116 LYS . 26314 1 122 117 GLU . 26314 1 123 118 PHE . 26314 1 124 119 VAL . 26314 1 125 120 PRO . 26314 1 126 121 GLY . 26314 1 127 122 VAL . 26314 1 128 123 LYS . 26314 1 129 124 TYR . 26314 1 130 125 GLY . 26314 1 131 126 ASN . 26314 1 132 127 ILE . 26314 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 26314 1 . PRO 2 2 26314 1 . LEU 3 3 26314 1 . GLY 4 4 26314 1 . SER 5 5 26314 1 . MET 6 6 26314 1 . LYS 7 7 26314 1 . ASP 8 8 26314 1 . PRO 9 9 26314 1 . SER 10 10 26314 1 . ARG 11 11 26314 1 . SER 12 12 26314 1 . SER 13 13 26314 1 . THR 14 14 26314 1 . SER 15 15 26314 1 . PRO 16 16 26314 1 . SER 17 17 26314 1 . ILE 18 18 26314 1 . ILE 19 19 26314 1 . ASN 20 20 26314 1 . GLU 21 21 26314 1 . ASP 22 22 26314 1 . VAL 23 23 26314 1 . ILE 24 24 26314 1 . ILE 25 25 26314 1 . ASN 26 26 26314 1 . GLY 27 27 26314 1 . HIS 28 28 26314 1 . SER 29 29 26314 1 . HIS 30 30 26314 1 . GLU 31 31 26314 1 . ASP 32 32 26314 1 . ASP 33 33 26314 1 . ASN 34 34 26314 1 . PRO 35 35 26314 1 . PHE 36 36 26314 1 . ALA 37 37 26314 1 . GLU 38 38 26314 1 . TYR 39 39 26314 1 . MET 40 40 26314 1 . TRP 41 41 26314 1 . MET 42 42 26314 1 . GLU 43 43 26314 1 . ASN 44 44 26314 1 . GLU 45 45 26314 1 . GLU 46 46 26314 1 . GLU 47 47 26314 1 . PHE 48 48 26314 1 . ASN 49 49 26314 1 . ARG 50 50 26314 1 . GLN 51 51 26314 1 . ILE 52 52 26314 1 . GLU 53 53 26314 1 . GLU 54 54 26314 1 . GLU 55 55 26314 1 . LEU 56 56 26314 1 . TRP 57 57 26314 1 . GLU 58 58 26314 1 . GLU 59 59 26314 1 . GLU 60 60 26314 1 . PHE 61 61 26314 1 . ILE 62 62 26314 1 . GLU 63 63 26314 1 . ARG 64 64 26314 1 . CYS 65 65 26314 1 . PHE 66 66 26314 1 . GLN 67 67 26314 1 . GLU 68 68 26314 1 . MET 69 69 26314 1 . LEU 70 70 26314 1 . GLU 71 71 26314 1 . GLU 72 72 26314 1 . GLU 73 73 26314 1 . GLU 74 74 26314 1 . GLU 75 75 26314 1 . HIS 76 76 26314 1 . GLU 77 77 26314 1 . TRP 78 78 26314 1 . PHE 79 79 26314 1 . ILE 80 80 26314 1 . PRO 81 81 26314 1 . ALA 82 82 26314 1 . ARG 83 83 26314 1 . ASP 84 84 26314 1 . LEU 85 85 26314 1 . PRO 86 86 26314 1 . GLN 87 87 26314 1 . THR 88 88 26314 1 . MET 89 89 26314 1 . ASP 90 90 26314 1 . GLN 91 91 26314 1 . ILE 92 92 26314 1 . GLN 93 93 26314 1 . ASP 94 94 26314 1 . GLN 95 95 26314 1 . PHE 96 96 26314 1 . ASN 97 97 26314 1 . ASP 98 98 26314 1 . LEU 99 99 26314 1 . VAL 100 100 26314 1 . ILE 101 101 26314 1 . SER 102 102 26314 1 . ASP 103 103 26314 1 . GLY 104 104 26314 1 . SER 105 105 26314 1 . SER 106 106 26314 1 . LEU 107 107 26314 1 . GLU 108 108 26314 1 . ASP 109 109 26314 1 . LEU 110 110 26314 1 . VAL 111 111 26314 1 . VAL 112 112 26314 1 . LYS 113 113 26314 1 . SER 114 114 26314 1 . ASN 115 115 26314 1 . LEU 116 116 26314 1 . ASN 117 117 26314 1 . PRO 118 118 26314 1 . ASN 119 119 26314 1 . ALA 120 120 26314 1 . LYS 121 121 26314 1 . GLU 122 122 26314 1 . PHE 123 123 26314 1 . VAL 124 124 26314 1 . PRO 125 125 26314 1 . GLY 126 126 26314 1 . VAL 127 127 26314 1 . LYS 128 128 26314 1 . TYR 129 129 26314 1 . GLY 130 130 26314 1 . ASN 131 131 26314 1 . ILE 132 132 26314 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 26314 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 26314 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 26314 _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 . . . . . plasmid . . pGEX-6p-1 . . . 26314 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26314 _Sample.ID 1 _Sample.Name '13C 15N Paip2A' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Paip2A '[U-100% 13C; U-100% 15N]' 1 $assembly_1 1 $entity_1 . protein 218 . . uM . . . . 26314 1 2 'potassium phosphate' 'natural abundance' . . . . . buffer 18 . . mM . . . . 26314 1 3 'sodium chloride' 'natural abundance' . . . . . salt 90 . . mM . . . . 26314 1 4 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 26314 1 5 D2O '[U-100% 2H]' . . . . . solvent 10 . . % . . . . 26314 1 6 DTT 'natural abundance' . . . . . . 0.9 . . mM . . . . 26314 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 26314 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Phosphate buffer' _Sample_condition_list.Details '18 mM KH2PO4 (pH 6.0), 90 mM NaCl, 0.9 mM DTT, 90% H2O, 10% D2O' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 . pH 26314 1 pressure 1 . atm 26314 1 temperature 298 . K 26314 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 26314 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version 3.190 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 26314 1 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 26314 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance 500' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 26314 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26314 1 2 '3D CBCA(CO)NH' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26314 1 3 '3D HNCO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26314 1 4 '3D HNCA' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26314 1 5 '3D HNCACB' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26314 1 6 '3D HN(CO)CA' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26314 1 7 '3D HCACO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26314 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 26314 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Chemical shift values of 13C 15N Paip2A' _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 external indirect 0.251449530 . . . . . 26314 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 26314 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 26314 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 26314 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Assigned chemical shift of Paip2A' _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' 1 $sample_1 isotropic 26314 1 2 '3D CBCA(CO)NH' 1 $sample_1 isotropic 26314 1 3 '3D HNCO' 1 $sample_1 isotropic 26314 1 4 '3D HNCA' 1 $sample_1 isotropic 26314 1 5 '3D HNCACB' 1 $sample_1 isotropic 26314 1 6 '3D HN(CO)CA' 1 $sample_1 isotropic 26314 1 7 '3D HCACO' 1 $sample_1 isotropic 26314 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 26314 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 PRO C C 13 183.068 0.005 . 1 . . . . . -4 PRO C . 26314 1 2 . 1 . 1 2 2 PRO CA C 13 63.244 0.040 . 1 . . . . . -4 PRO CA . 26314 1 3 . 1 . 1 2 2 PRO CB C 13 32.31 0.025 . 1 . . . . . -4 PRO CB . 26314 1 4 . 1 . 1 3 3 LEU H H 1 8.518 0.002 . 1 . . . . . -3 LEU H . 26314 1 5 . 1 . 1 3 3 LEU C C 13 184.039 0.009 . 1 . . . . . -3 LEU C . 26314 1 6 . 1 . 1 3 3 LEU CA C 13 55.672 0.186 . 1 . . . . . -3 LEU CA . 26314 1 7 . 1 . 1 3 3 LEU CB C 13 42.251 0.098 . 1 . . . . . -3 LEU CB . 26314 1 8 . 1 . 1 3 3 LEU N N 15 122.506 0.039 . 1 . . . . . -3 LEU N . 26314 1 9 . 1 . 1 4 4 GLY H H 1 8.411 0.002 . 1 . . . . . -2 GLY H . 26314 1 10 . 1 . 1 4 4 GLY C C 13 180.233 0.006 . 1 . . . . . -2 GLY C . 26314 1 11 . 1 . 1 4 4 GLY CA C 13 45.464 0.045 . 1 . . . . . -2 GLY CA . 26314 1 12 . 1 . 1 4 4 GLY N N 15 109.828 0.036 . 1 . . . . . -2 GLY N . 26314 1 13 . 1 . 1 5 5 SER H H 1 8.193 0.002 . 1 . . . . . -1 SER H . 26314 1 14 . 1 . 1 5 5 SER C C 13 180.724 0.000 . 1 . . . . . -1 SER C . 26314 1 15 . 1 . 1 5 5 SER CA C 13 58.553 0.103 . 1 . . . . . -1 SER CA . 26314 1 16 . 1 . 1 5 5 SER CB C 13 63.979 0.097 . 1 . . . . . -1 SER CB . 26314 1 17 . 1 . 1 5 5 SER N N 15 115.546 0.040 . 1 . . . . . -1 SER N . 26314 1 18 . 1 . 1 6 6 MET H H 1 8.386 0.002 . 1 . . . . . 1 MET H . 26314 1 19 . 1 . 1 6 6 MET C C 13 182.105 0.000 . 1 . . . . . 1 MET C . 26314 1 20 . 1 . 1 6 6 MET CA C 13 55.908 0.000 . 1 . . . . . 1 MET CA . 26314 1 21 . 1 . 1 6 6 MET CB C 13 32.831 0.000 . 1 . . . . . 1 MET CB . 26314 1 22 . 1 . 1 6 6 MET N N 15 122.147 0.033 . 1 . . . . . 1 MET N . 26314 1 23 . 1 . 1 9 9 PRO C C 13 183.365 0.003 . 1 . . . . . 4 PRO C . 26314 1 24 . 1 . 1 9 9 PRO CA C 13 63.826 0.027 . 1 . . . . . 4 PRO CA . 26314 1 25 . 1 . 1 9 9 PRO CB C 13 32.08 0.008 . 1 . . . . . 4 PRO CB . 26314 1 26 . 1 . 1 10 10 SER H H 1 8.448 0.002 . 1 . . . . . 5 SER H . 26314 1 27 . 1 . 1 10 10 SER C C 13 180.826 0.000 . 1 . . . . . 5 SER C . 26314 1 28 . 1 . 1 10 10 SER CA C 13 59.31 0.029 . 1 . . . . . 5 SER CA . 26314 1 29 . 1 . 1 10 10 SER CB C 13 63.672 0.082 . 1 . . . . . 5 SER CB . 26314 1 30 . 1 . 1 10 10 SER N N 15 115.493 0.034 . 1 . . . . . 5 SER N . 26314 1 31 . 1 . 1 11 11 ARG H H 1 8.028 0.002 . 1 . . . . . 6 ARG H . 26314 1 32 . 1 . 1 11 11 ARG C C 13 182.279 0.010 . 1 . . . . . 6 ARG C . 26314 1 33 . 1 . 1 11 11 ARG CA C 13 56.152 0.089 . 1 . . . . . 6 ARG CA . 26314 1 34 . 1 . 1 11 11 ARG CB C 13 30.721 0.047 . 1 . . . . . 6 ARG CB . 26314 1 35 . 1 . 1 11 11 ARG N N 15 122.39 0.020 . 1 . . . . . 6 ARG N . 26314 1 36 . 1 . 1 12 12 SER H H 1 8.258 0.003 . 1 . . . . . 7 SER H . 26314 1 37 . 1 . 1 12 12 SER C C 13 180.75 0.000 . 1 . . . . . 7 SER C . 26314 1 38 . 1 . 1 12 12 SER CA C 13 58.582 0.025 . 1 . . . . . 7 SER CA . 26314 1 39 . 1 . 1 12 12 SER CB C 13 63.953 0.070 . 1 . . . . . 7 SER CB . 26314 1 40 . 1 . 1 12 12 SER N N 15 116.702 0.033 . 1 . . . . . 7 SER N . 26314 1 41 . 1 . 1 13 13 SER H H 1 8.404 0.004 . 1 . . . . . 8 SER H . 26314 1 42 . 1 . 1 13 13 SER C C 13 180.788 0.000 . 1 . . . . . 8 SER C . 26314 1 43 . 1 . 1 13 13 SER CA C 13 58.682 0.080 . 1 . . . . . 8 SER CA . 26314 1 44 . 1 . 1 13 13 SER CB C 13 63.815 0.071 . 1 . . . . . 8 SER CB . 26314 1 45 . 1 . 1 13 13 SER N N 15 117.904 0.041 . 1 . . . . . 8 SER N . 26314 1 46 . 1 . 1 14 14 THR H H 1 8.158 0.002 . 1 . . . . . 9 THR H . 26314 1 47 . 1 . 1 14 14 THR C C 13 180.432 0.011 . 1 . . . . . 9 THR C . 26314 1 48 . 1 . 1 14 14 THR CA C 13 61.77 0.050 . 1 . . . . . 9 THR CA . 26314 1 49 . 1 . 1 14 14 THR CB C 13 69.716 0.031 . 1 . . . . . 9 THR CB . 26314 1 50 . 1 . 1 14 14 THR N N 15 115.127 0.039 . 1 . . . . . 9 THR N . 26314 1 51 . 1 . 1 15 15 SER H H 1 8.247 0.003 . 1 . . . . . 10 SER H . 26314 1 52 . 1 . 1 15 15 SER C C 13 178.717 0.000 . 1 . . . . . 10 SER C . 26314 1 53 . 1 . 1 15 15 SER CA C 13 56.664 0.000 . 1 . . . . . 10 SER CA . 26314 1 54 . 1 . 1 15 15 SER CB C 13 63.446 0.000 . 1 . . . . . 10 SER CB . 26314 1 55 . 1 . 1 15 15 SER N N 15 119.58 0.037 . 1 . . . . . 10 SER N . 26314 1 56 . 1 . 1 16 16 PRO C C 13 182.865 0.009 . 1 . . . . . 11 PRO C . 26314 1 57 . 1 . 1 16 16 PRO CA C 13 63.489 0.014 . 1 . . . . . 11 PRO CA . 26314 1 58 . 1 . 1 16 16 PRO CB C 13 32.114 0.024 . 1 . . . . . 11 PRO CB . 26314 1 59 . 1 . 1 17 17 SER H H 1 8.336 0.002 . 1 . . . . . 12 SER H . 26314 1 60 . 1 . 1 17 17 SER C C 13 180.409 0.000 . 1 . . . . . 12 SER C . 26314 1 61 . 1 . 1 17 17 SER CA C 13 58.569 0.063 . 1 . . . . . 12 SER CA . 26314 1 62 . 1 . 1 17 17 SER CB C 13 63.774 0.066 . 1 . . . . . 12 SER CB . 26314 1 63 . 1 . 1 17 17 SER N N 15 116.056 0.046 . 1 . . . . . 12 SER N . 26314 1 64 . 1 . 1 18 18 ILE H H 1 8.096 0.002 . 1 . . . . . 13 ILE H . 26314 1 65 . 1 . 1 18 18 ILE C C 13 181.993 0.013 . 1 . . . . . 13 ILE C . 26314 1 66 . 1 . 1 18 18 ILE CA C 13 61.2 0.058 . 1 . . . . . 13 ILE CA . 26314 1 67 . 1 . 1 18 18 ILE CB C 13 38.7 0.044 . 1 . . . . . 13 ILE CB . 26314 1 68 . 1 . 1 18 18 ILE N N 15 122.763 0.048 . 1 . . . . . 13 ILE N . 26314 1 69 . 1 . 1 19 19 ILE H H 1 8.176 0.002 . 1 . . . . . 14 ILE H . 26314 1 70 . 1 . 1 19 19 ILE C C 13 181.692 0.002 . 1 . . . . . 14 ILE C . 26314 1 71 . 1 . 1 19 19 ILE CA C 13 61.054 0.065 . 1 . . . . . 14 ILE CA . 26314 1 72 . 1 . 1 19 19 ILE CB C 13 38.68 0.042 . 1 . . . . . 14 ILE CB . 26314 1 73 . 1 . 1 19 19 ILE N N 15 124.749 0.034 . 1 . . . . . 14 ILE N . 26314 1 74 . 1 . 1 20 20 ASN H H 1 8.434 0.003 . 1 . . . . . 15 ASN H . 26314 1 75 . 1 . 1 20 20 ASN C C 13 181.081 0.004 . 1 . . . . . 15 ASN C . 26314 1 76 . 1 . 1 20 20 ASN CA C 13 53.332 0.030 . 1 . . . . . 15 ASN CA . 26314 1 77 . 1 . 1 20 20 ASN CB C 13 39.076 0.040 . 1 . . . . . 15 ASN CB . 26314 1 78 . 1 . 1 20 20 ASN N N 15 123.241 0.042 . 1 . . . . . 15 ASN N . 26314 1 79 . 1 . 1 21 21 GLU H H 1 8.466 0.002 . 1 . . . . . 16 GLU H . 26314 1 80 . 1 . 1 21 21 GLU C C 13 182.127 0.005 . 1 . . . . . 16 GLU C . 26314 1 81 . 1 . 1 21 21 GLU CA C 13 57.013 0.030 . 1 . . . . . 16 GLU CA . 26314 1 82 . 1 . 1 21 21 GLU CB C 13 30.186 0.017 . 1 . . . . . 16 GLU CB . 26314 1 83 . 1 . 1 21 21 GLU N N 15 121.793 0.053 . 1 . . . . . 16 GLU N . 26314 1 84 . 1 . 1 22 22 ASP H H 1 8.35 0.003 . 1 . . . . . 17 ASP H . 26314 1 85 . 1 . 1 22 22 ASP C C 13 182.242 0.011 . 1 . . . . . 17 ASP C . 26314 1 86 . 1 . 1 22 22 ASP CA C 13 54.863 0.044 . 1 . . . . . 17 ASP CA . 26314 1 87 . 1 . 1 22 22 ASP CB C 13 41.024 0.034 . 1 . . . . . 17 ASP CB . 26314 1 88 . 1 . 1 22 22 ASP N N 15 121.019 0.038 . 1 . . . . . 17 ASP N . 26314 1 89 . 1 . 1 23 23 VAL H H 1 7.906 0.001 . 1 . . . . . 18 VAL H . 26314 1 90 . 1 . 1 23 23 VAL C C 13 182.064 0.003 . 1 . . . . . 18 VAL C . 26314 1 91 . 1 . 1 23 23 VAL CA C 13 62.698 0.084 . 1 . . . . . 18 VAL CA . 26314 1 92 . 1 . 1 23 23 VAL CB C 13 32.612 0.003 . 1 . . . . . 18 VAL CB . 26314 1 93 . 1 . 1 23 23 VAL N N 15 119.812 0.036 . 1 . . . . . 18 VAL N . 26314 1 94 . 1 . 1 24 24 ILE H H 1 8.126 0.002 . 1 . . . . . 19 ILE H . 26314 1 95 . 1 . 1 24 24 ILE C C 13 182.421 0.008 . 1 . . . . . 19 ILE C . 26314 1 96 . 1 . 1 24 24 ILE CA C 13 61.247 0.070 . 1 . . . . . 19 ILE CA . 26314 1 97 . 1 . 1 24 24 ILE CB C 13 38.298 0.111 . 1 . . . . . 19 ILE CB . 26314 1 98 . 1 . 1 24 24 ILE N N 15 124.818 0.035 . 1 . . . . . 19 ILE N . 26314 1 99 . 1 . 1 25 25 ILE H H 1 8.255 0.003 . 1 . . . . . 20 ILE H . 26314 1 100 . 1 . 1 25 25 ILE C C 13 182.104 0.006 . 1 . . . . . 20 ILE C . 26314 1 101 . 1 . 1 25 25 ILE CA C 13 61.215 0.025 . 1 . . . . . 20 ILE CA . 26314 1 102 . 1 . 1 25 25 ILE CB C 13 38.475 0.052 . 1 . . . . . 20 ILE CB . 26314 1 103 . 1 . 1 25 25 ILE N N 15 125.307 0.041 . 1 . . . . . 20 ILE N . 26314 1 104 . 1 . 1 26 26 ASN H H 1 8.503 0.002 . 1 . . . . . 21 ASN H . 26314 1 105 . 1 . 1 26 26 ASN C C 13 181.653 0.005 . 1 . . . . . 21 ASN C . 26314 1 106 . 1 . 1 26 26 ASN CA C 13 53.496 0.070 . 1 . . . . . 21 ASN CA . 26314 1 107 . 1 . 1 26 26 ASN CB C 13 38.855 0.017 . 1 . . . . . 21 ASN CB . 26314 1 108 . 1 . 1 26 26 ASN N N 15 122.644 0.040 . 1 . . . . . 21 ASN N . 26314 1 109 . 1 . 1 27 27 GLY H H 1 8.3 0.003 . 1 . . . . . 22 GLY H . 26314 1 110 . 1 . 1 27 27 GLY C C 13 179.865 0.001 . 1 . . . . . 22 GLY C . 26314 1 111 . 1 . 1 27 27 GLY CA C 13 45.526 0.033 . 1 . . . . . 22 GLY CA . 26314 1 112 . 1 . 1 27 27 GLY N N 15 109.041 0.020 . 1 . . . . . 22 GLY N . 26314 1 113 . 1 . 1 28 28 HIS H H 1 8.272 0.009 . 1 . . . . . 23 HIS H . 26314 1 114 . 1 . 1 28 28 HIS C C 13 180.716 0.006 . 1 . . . . . 23 HIS C . 26314 1 115 . 1 . 1 28 28 HIS CA C 13 55.455 0.048 . 1 . . . . . 23 HIS CA . 26314 1 116 . 1 . 1 28 28 HIS CB C 13 29.611 0.091 . 1 . . . . . 23 HIS CB . 26314 1 117 . 1 . 1 28 28 HIS N N 15 118.265 0.048 . 1 . . . . . 23 HIS N . 26314 1 118 . 1 . 1 29 29 SER H H 1 8.418 0.007 . 1 . . . . . 24 SER H . 26314 1 119 . 1 . 1 29 29 SER C C 13 180.484 0.000 . 1 . . . . . 24 SER C . 26314 1 120 . 1 . 1 29 29 SER CA C 13 58.512 0.112 . 1 . . . . . 24 SER CA . 26314 1 121 . 1 . 1 29 29 SER CB C 13 63.875 0.038 . 1 . . . . . 24 SER CB . 26314 1 122 . 1 . 1 29 29 SER N N 15 117.383 0.039 . 1 . . . . . 24 SER N . 26314 1 123 . 1 . 1 30 30 HIS H H 1 8.635 0.010 . 1 . . . . . 25 HIS H . 26314 1 124 . 1 . 1 30 30 HIS C C 13 180.886 0.003 . 1 . . . . . 25 HIS C . 26314 1 125 . 1 . 1 30 30 HIS CA C 13 56.1 0.078 . 1 . . . . . 25 HIS CA . 26314 1 126 . 1 . 1 30 30 HIS CB C 13 29.209 0.108 . 1 . . . . . 25 HIS CB . 26314 1 127 . 1 . 1 30 30 HIS N N 15 120.798 0.039 . 1 . . . . . 25 HIS N . 26314 1 128 . 1 . 1 31 31 GLU H H 1 8.473 0.004 . 1 . . . . . 26 GLU H . 26314 1 129 . 1 . 1 31 31 GLU C C 13 182.212 0.074 . 1 . . . . . 26 GLU C . 26314 1 130 . 1 . 1 31 31 GLU CA C 13 57.048 0.050 . 1 . . . . . 26 GLU CA . 26314 1 131 . 1 . 1 31 31 GLU CB C 13 30.15 0.016 . 1 . . . . . 26 GLU CB . 26314 1 132 . 1 . 1 31 31 GLU N N 15 121.948 0.029 . 1 . . . . . 26 GLU N . 26314 1 133 . 1 . 1 32 32 ASP H H 1 8.33 0.006 . 1 . . . . . 27 ASP H . 26314 1 134 . 1 . 1 32 32 ASP C C 13 181.907 0.016 . 1 . . . . . 27 ASP C . 26314 1 135 . 1 . 1 32 32 ASP CA C 13 54.669 0.111 . 1 . . . . . 27 ASP CA . 26314 1 136 . 1 . 1 32 32 ASP CB C 13 41.206 0.004 . 1 . . . . . 27 ASP CB . 26314 1 137 . 1 . 1 32 32 ASP N N 15 120.65 0.130 . 1 . . . . . 27 ASP N . 26314 1 138 . 1 . 1 33 33 ASP H H 1 8.146 0.003 . 1 . . . . . 28 ASP H . 26314 1 139 . 1 . 1 33 33 ASP C C 13 181.679 0.005 . 1 . . . . . 28 ASP C . 26314 1 140 . 1 . 1 33 33 ASP CA C 13 54.489 0.026 . 1 . . . . . 28 ASP CA . 26314 1 141 . 1 . 1 33 33 ASP CB C 13 41.047 0.025 . 1 . . . . . 28 ASP CB . 26314 1 142 . 1 . 1 33 33 ASP N N 15 120.232 0.044 . 1 . . . . . 28 ASP N . 26314 1 143 . 1 . 1 34 34 ASN H H 1 8.277 0.002 . 1 . . . . . 29 ASN H . 26314 1 144 . 1 . 1 34 34 ASN C C 13 179.704 0.000 . 1 . . . . . 29 ASN C . 26314 1 145 . 1 . 1 34 34 ASN CA C 13 51.238 0.033 . 1 . . . . . 29 ASN CA . 26314 1 146 . 1 . 1 34 34 ASN CB C 13 39.09 0.000 . 1 . . . . . 29 ASN CB . 26314 1 147 . 1 . 1 34 34 ASN N N 15 119.273 0.039 . 1 . . . . . 29 ASN N . 26314 1 148 . 1 . 1 35 35 PRO C C 13 182.844 0.005 . 1 . . . . . 30 PRO C . 26314 1 149 . 1 . 1 35 35 PRO CA C 13 63.737 0.003 . 1 . . . . . 30 PRO CA . 26314 1 150 . 1 . 1 35 35 PRO CB C 13 31.864 0.013 . 1 . . . . . 30 PRO CB . 26314 1 151 . 1 . 1 36 36 PHE H H 1 8.037 0.002 . 1 . . . . . 31 PHE H . 26314 1 152 . 1 . 1 36 36 PHE C C 13 181.661 0.002 . 1 . . . . . 31 PHE C . 26314 1 153 . 1 . 1 36 36 PHE CA C 13 57.509 0.007 . 1 . . . . . 31 PHE CA . 26314 1 154 . 1 . 1 36 36 PHE CB C 13 38.891 0.016 . 1 . . . . . 31 PHE CB . 26314 1 155 . 1 . 1 36 36 PHE N N 15 118.725 0.024 . 1 . . . . . 31 PHE N . 26314 1 156 . 1 . 1 37 37 ALA H H 1 7.738 0.002 . 1 . . . . . 32 ALA H . 26314 1 157 . 1 . 1 37 37 ALA C C 13 183.513 0.003 . 1 . . . . . 32 ALA C . 26314 1 158 . 1 . 1 37 37 ALA CA C 13 53.027 0.038 . 1 . . . . . 32 ALA CA . 26314 1 159 . 1 . 1 37 37 ALA CB C 13 19.348 0.034 . 1 . . . . . 32 ALA CB . 26314 1 160 . 1 . 1 37 37 ALA N N 15 124.651 0.035 . 1 . . . . . 32 ALA N . 26314 1 161 . 1 . 1 38 38 GLU H H 1 8.229 0.002 . 1 . . . . . 33 GLU H . 26314 1 162 . 1 . 1 38 38 GLU C C 13 182.239 0.005 . 1 . . . . . 33 GLU C . 26314 1 163 . 1 . 1 38 38 GLU CA C 13 56.932 0.026 . 1 . . . . . 33 GLU CA . 26314 1 164 . 1 . 1 38 38 GLU CB C 13 30.094 0.026 . 1 . . . . . 33 GLU CB . 26314 1 165 . 1 . 1 38 38 GLU N N 15 119.145 0.049 . 1 . . . . . 33 GLU N . 26314 1 166 . 1 . 1 39 39 TYR H H 1 7.958 0.005 . 1 . . . . . 34 TYR H . 26314 1 167 . 1 . 1 39 39 TYR C C 13 181.755 0.003 . 1 . . . . . 34 TYR C . 26314 1 168 . 1 . 1 39 39 TYR CA C 13 57.936 0.075 . 1 . . . . . 34 TYR CA . 26314 1 169 . 1 . 1 39 39 TYR CB C 13 38.541 0.017 . 1 . . . . . 34 TYR CB . 26314 1 170 . 1 . 1 39 39 TYR N N 15 120.014 0.038 . 1 . . . . . 34 TYR N . 26314 1 171 . 1 . 1 40 40 MET H H 1 7.987 0.003 . 1 . . . . . 35 MET H . 26314 1 172 . 1 . 1 40 40 MET C C 13 181.537 0.005 . 1 . . . . . 35 MET C . 26314 1 173 . 1 . 1 40 40 MET CA C 13 55.756 0.077 . 1 . . . . . 35 MET CA . 26314 1 174 . 1 . 1 40 40 MET CB C 13 32.572 0.028 . 1 . . . . . 35 MET CB . 26314 1 175 . 1 . 1 40 40 MET N N 15 121.989 0.044 . 1 . . . . . 35 MET N . 26314 1 176 . 1 . 1 41 41 TRP H H 1 7.899 0.005 . 1 . . . . . 36 TRP H . 26314 1 177 . 1 . 1 41 41 TRP C C 13 182.099 0.006 . 1 . . . . . 36 TRP C . 26314 1 178 . 1 . 1 41 41 TRP CA C 13 57.49 0.043 . 1 . . . . . 36 TRP CA . 26314 1 179 . 1 . 1 41 41 TRP CB C 13 29.261 0.050 . 1 . . . . . 36 TRP CB . 26314 1 180 . 1 . 1 41 41 TRP N N 15 121.614 0.062 . 1 . . . . . 36 TRP N . 26314 1 181 . 1 . 1 42 42 MET H H 1 7.905 0.004 . 1 . . . . . 37 MET H . 26314 1 182 . 1 . 1 42 42 MET C C 13 181.774 0.010 . 1 . . . . . 37 MET C . 26314 1 183 . 1 . 1 42 42 MET CA C 13 55.692 0.093 . 1 . . . . . 37 MET CA . 26314 1 184 . 1 . 1 42 42 MET CB C 13 33.097 0.033 . 1 . . . . . 37 MET CB . 26314 1 185 . 1 . 1 42 42 MET N N 15 121.842 0.065 . 1 . . . . . 37 MET N . 26314 1 186 . 1 . 1 43 43 GLU H H 1 8.182 0.002 . 1 . . . . . 38 GLU H . 26314 1 187 . 1 . 1 43 43 GLU C C 13 182.204 0.004 . 1 . . . . . 38 GLU C . 26314 1 188 . 1 . 1 43 43 GLU CA C 13 56.997 0.013 . 1 . . . . . 38 GLU CA . 26314 1 189 . 1 . 1 43 43 GLU CB C 13 30.092 0.025 . 1 . . . . . 38 GLU CB . 26314 1 190 . 1 . 1 43 43 GLU N N 15 121.352 0.106 . 1 . . . . . 38 GLU N . 26314 1 191 . 1 . 1 44 44 ASN H H 1 8.337 0.007 . 1 . . . . . 39 ASN H . 26314 1 192 . 1 . 1 44 44 ASN C C 13 181.261 0.001 . 1 . . . . . 39 ASN C . 26314 1 193 . 1 . 1 44 44 ASN CA C 13 53.387 0.053 . 1 . . . . . 39 ASN CA . 26314 1 194 . 1 . 1 44 44 ASN CB C 13 39.034 0.008 . 1 . . . . . 39 ASN CB . 26314 1 195 . 1 . 1 44 44 ASN N N 15 118.997 0.046 . 1 . . . . . 39 ASN N . 26314 1 196 . 1 . 1 45 45 GLU H H 1 8.405 0.003 . 1 . . . . . 40 GLU H . 26314 1 197 . 1 . 1 45 45 GLU C C 13 182.82 0.000 . 1 . . . . . 40 GLU C . 26314 1 198 . 1 . 1 45 45 GLU CA C 13 57.315 0.045 . 1 . . . . . 40 GLU CA . 26314 1 199 . 1 . 1 45 45 GLU N N 15 121.808 0.046 . 1 . . . . . 40 GLU N . 26314 1 200 . 1 . 1 47 47 GLU C C 13 182.686 0.008 . 1 . . . . . 42 GLU C . 26314 1 201 . 1 . 1 47 47 GLU CA C 13 57.169 0.062 . 1 . . . . . 42 GLU CA . 26314 1 202 . 1 . 1 47 47 GLU CB C 13 30.074 0.032 . 1 . . . . . 42 GLU CB . 26314 1 203 . 1 . 1 48 48 PHE H H 1 8.072 0.002 . 1 . . . . . 43 PHE H . 26314 1 204 . 1 . 1 48 48 PHE C C 13 181.793 0.001 . 1 . . . . . 43 PHE C . 26314 1 205 . 1 . 1 48 48 PHE CA C 13 58.409 0.099 . 1 . . . . . 43 PHE CA . 26314 1 206 . 1 . 1 48 48 PHE CB C 13 39.398 0.009 . 1 . . . . . 43 PHE CB . 26314 1 207 . 1 . 1 48 48 PHE N N 15 120.494 0.036 . 1 . . . . . 43 PHE N . 26314 1 208 . 1 . 1 49 49 ASN H H 1 8.274 0.002 . 1 . . . . . 44 ASN H . 26314 1 209 . 1 . 1 49 49 ASN C C 13 181.176 0.012 . 1 . . . . . 44 ASN C . 26314 1 210 . 1 . 1 49 49 ASN CA C 13 53.463 0.058 . 1 . . . . . 44 ASN CA . 26314 1 211 . 1 . 1 49 49 ASN CB C 13 38.754 0.051 . 1 . . . . . 44 ASN CB . 26314 1 212 . 1 . 1 49 49 ASN N N 15 119.949 0.047 . 1 . . . . . 44 ASN N . 26314 1 213 . 1 . 1 50 50 ARG H H 1 8.069 0.002 . 1 . . . . . 45 ARG H . 26314 1 214 . 1 . 1 50 50 ARG N N 15 121.588 0.035 . 1 . . . . . 45 ARG N . 26314 1 215 . 1 . 1 51 51 GLN C C 13 182.225 0.004 . 1 . . . . . 46 GLN C . 26314 1 216 . 1 . 1 51 51 GLN CA C 13 56.257 0.085 . 1 . . . . . 46 GLN CA . 26314 1 217 . 1 . 1 51 51 GLN CB C 13 29.358 0.000 . 1 . . . . . 46 GLN CB . 26314 1 218 . 1 . 1 52 52 ILE H H 1 8.072 0.001 . 1 . . . . . 47 ILE H . 26314 1 219 . 1 . 1 52 52 ILE C C 13 182.499 0.009 . 1 . . . . . 47 ILE C . 26314 1 220 . 1 . 1 52 52 ILE CA C 13 61.7 0.048 . 1 . . . . . 47 ILE CA . 26314 1 221 . 1 . 1 52 52 ILE CB C 13 38.639 0.044 . 1 . . . . . 47 ILE CB . 26314 1 222 . 1 . 1 52 52 ILE N N 15 121.815 0.038 . 1 . . . . . 47 ILE N . 26314 1 223 . 1 . 1 53 53 GLU H H 1 8.364 0.013 . 1 . . . . . 48 GLU H . 26314 1 224 . 1 . 1 53 53 GLU C C 13 182.68 0.000 . 1 . . . . . 48 GLU C . 26314 1 225 . 1 . 1 53 53 GLU CA C 13 57.058 0.032 . 1 . . . . . 48 GLU CA . 26314 1 226 . 1 . 1 53 53 GLU CB C 13 30.013 0.000 . 1 . . . . . 48 GLU CB . 26314 1 227 . 1 . 1 53 53 GLU N N 15 124.242 0.109 . 1 . . . . . 48 GLU N . 26314 1 228 . 1 . 1 55 55 GLU C C 13 182.365 0.001 . 1 . . . . . 50 GLU C . 26314 1 229 . 1 . 1 55 55 GLU CA C 13 56.838 0.023 . 1 . . . . . 50 GLU CA . 26314 1 230 . 1 . 1 55 55 GLU CB C 13 30.034 0.010 . 1 . . . . . 50 GLU CB . 26314 1 231 . 1 . 1 56 56 LEU H H 1 8.115 0.007 . 1 . . . . . 51 LEU H . 26314 1 232 . 1 . 1 56 56 LEU C C 13 183.129 0.018 . 1 . . . . . 51 LEU C . 26314 1 233 . 1 . 1 56 56 LEU CA C 13 55.368 0.062 . 1 . . . . . 51 LEU CA . 26314 1 234 . 1 . 1 56 56 LEU CB C 13 42.263 0.078 . 1 . . . . . 51 LEU CB . 26314 1 235 . 1 . 1 56 56 LEU N N 15 122.77 0.081 . 1 . . . . . 51 LEU N . 26314 1 236 . 1 . 1 57 57 TRP H H 1 8.098 0.009 . 1 . . . . . 52 TRP H . 26314 1 237 . 1 . 1 57 57 TRP C C 13 182.229 0.005 . 1 . . . . . 52 TRP C . 26314 1 238 . 1 . 1 57 57 TRP CA C 13 57.501 0.070 . 1 . . . . . 52 TRP CA . 26314 1 239 . 1 . 1 57 57 TRP CB C 13 29.713 0.097 . 1 . . . . . 52 TRP CB . 26314 1 240 . 1 . 1 57 57 TRP N N 15 122.158 0.139 . 1 . . . . . 52 TRP N . 26314 1 241 . 1 . 1 58 58 GLU H H 1 8.133 0.005 . 1 . . . . . 53 GLU H . 26314 1 242 . 1 . 1 58 58 GLU CA C 13 56.957 0.000 . 1 . . . . . 53 GLU CA . 26314 1 243 . 1 . 1 58 58 GLU CB C 13 30.215 0.000 . 1 . . . . . 53 GLU CB . 26314 1 244 . 1 . 1 58 58 GLU N N 15 122.438 0.088 . 1 . . . . . 53 GLU N . 26314 1 245 . 1 . 1 60 60 GLU C C 13 182.369 0.006 . 1 . . . . . 55 GLU C . 26314 1 246 . 1 . 1 60 60 GLU CA C 13 56.947 0.114 . 1 . . . . . 55 GLU CA . 26314 1 247 . 1 . 1 60 60 GLU CB C 13 30.213 0.000 . 1 . . . . . 55 GLU CB . 26314 1 248 . 1 . 1 61 61 PHE H H 1 8.234 0.012 . 1 . . . . . 56 PHE H . 26314 1 249 . 1 . 1 61 61 PHE C C 13 181.702 0.016 . 1 . . . . . 56 PHE C . 26314 1 250 . 1 . 1 61 61 PHE CA C 13 58.444 0.148 . 1 . . . . . 56 PHE CA . 26314 1 251 . 1 . 1 61 61 PHE CB C 13 39.201 0.156 . 1 . . . . . 56 PHE CB . 26314 1 252 . 1 . 1 61 61 PHE N N 15 121.541 0.061 . 1 . . . . . 56 PHE N . 26314 1 253 . 1 . 1 62 62 ILE H H 1 7.892 0.006 . 1 . . . . . 57 ILE H . 26314 1 254 . 1 . 1 62 62 ILE C C 13 181.993 0.005 . 1 . . . . . 57 ILE C . 26314 1 255 . 1 . 1 62 62 ILE CA C 13 61.564 0.098 . 1 . . . . . 57 ILE CA . 26314 1 256 . 1 . 1 62 62 ILE CB C 13 38.778 0.000 . 1 . . . . . 57 ILE CB . 26314 1 257 . 1 . 1 62 62 ILE N N 15 123.164 0.130 . 1 . . . . . 57 ILE N . 26314 1 258 . 1 . 1 63 63 GLU H H 1 8.292 0.010 . 1 . . . . . 58 GLU H . 26314 1 259 . 1 . 1 63 63 GLU C C 13 182.684 0.020 . 1 . . . . . 58 GLU C . 26314 1 260 . 1 . 1 63 63 GLU CA C 13 57.336 0.156 . 1 . . . . . 58 GLU CA . 26314 1 261 . 1 . 1 63 63 GLU CB C 13 29.992 0.061 . 1 . . . . . 58 GLU CB . 26314 1 262 . 1 . 1 63 63 GLU N N 15 124.243 0.210 . 1 . . . . . 58 GLU N . 26314 1 263 . 1 . 1 64 64 ARG H H 1 8.27 0.009 . 1 . . . . . 59 ARG H . 26314 1 264 . 1 . 1 64 64 ARG C C 13 182.422 0.008 . 1 . . . . . 59 ARG C . 26314 1 265 . 1 . 1 64 64 ARG CA C 13 56.54 0.092 . 1 . . . . . 59 ARG CA . 26314 1 266 . 1 . 1 64 64 ARG CB C 13 30.683 0.107 . 1 . . . . . 59 ARG CB . 26314 1 267 . 1 . 1 64 64 ARG N N 15 122.451 0.051 . 1 . . . . . 59 ARG N . 26314 1 268 . 1 . 1 65 65 CYS H H 1 8.287 0.004 . 1 . . . . . 60 CYS H . 26314 1 269 . 1 . 1 65 65 CYS C C 13 180.692 0.005 . 1 . . . . . 60 CYS C . 26314 1 270 . 1 . 1 65 65 CYS CA C 13 59.017 0.128 . 1 . . . . . 60 CYS CA . 26314 1 271 . 1 . 1 65 65 CYS CB C 13 27.77 0.000 . 1 . . . . . 60 CYS CB . 26314 1 272 . 1 . 1 65 65 CYS N N 15 119.826 0.082 . 1 . . . . . 60 CYS N . 26314 1 273 . 1 . 1 66 66 PHE H H 1 8.272 0.002 . 1 . . . . . 61 PHE H . 26314 1 274 . 1 . 1 66 66 PHE C C 13 182.138 0.000 . 1 . . . . . 61 PHE C . 26314 1 275 . 1 . 1 66 66 PHE CA C 13 58.393 0.065 . 1 . . . . . 61 PHE CA . 26314 1 276 . 1 . 1 66 66 PHE CB C 13 39.348 0.024 . 1 . . . . . 61 PHE CB . 26314 1 277 . 1 . 1 66 66 PHE N N 15 122.592 0.036 . 1 . . . . . 61 PHE N . 26314 1 278 . 1 . 1 67 67 GLN H H 1 8.177 0.001 . 1 . . . . . 62 GLN H . 26314 1 279 . 1 . 1 67 67 GLN CA C 13 56.21 0.000 . 1 . . . . . 62 GLN CA . 26314 1 280 . 1 . 1 67 67 GLN N N 15 121.637 0.074 . 1 . . . . . 62 GLN N . 26314 1 281 . 1 . 1 70 70 LEU H H 1 8.193 0.013 . 1 . . . . . 65 LEU H . 26314 1 282 . 1 . 1 70 70 LEU C C 13 183.445 0.000 . 1 . . . . . 65 LEU C . 26314 1 283 . 1 . 1 70 70 LEU CA C 13 55.598 0.000 . 1 . . . . . 65 LEU CA . 26314 1 284 . 1 . 1 70 70 LEU CB C 13 42.39 0.000 . 1 . . . . . 65 LEU CB . 26314 1 285 . 1 . 1 70 70 LEU N N 15 123.62 0.086 . 1 . . . . . 65 LEU N . 26314 1 286 . 1 . 1 75 75 GLU C C 13 182.188 0.007 . 1 . . . . . 70 GLU C . 26314 1 287 . 1 . 1 75 75 GLU CA C 13 56.625 0.014 . 1 . . . . . 70 GLU CA . 26314 1 288 . 1 . 1 75 75 GLU CB C 13 30.183 0.000 . 1 . . . . . 70 GLU CB . 26314 1 289 . 1 . 1 76 76 HIS H H 1 8.356 0.002 . 1 . . . . . 71 HIS H . 26314 1 290 . 1 . 1 76 76 HIS C C 13 180.356 0.005 . 1 . . . . . 71 HIS C . 26314 1 291 . 1 . 1 76 76 HIS CA C 13 55.136 0.069 . 1 . . . . . 71 HIS CA . 26314 1 292 . 1 . 1 76 76 HIS CB C 13 29.461 0.150 . 1 . . . . . 71 HIS CB . 26314 1 293 . 1 . 1 76 76 HIS N N 15 119.727 0.102 . 1 . . . . . 71 HIS N . 26314 1 294 . 1 . 1 77 77 GLU H H 1 8.486 0.004 . 1 . . . . . 72 GLU H . 26314 1 295 . 1 . 1 77 77 GLU C C 13 181.934 0.005 . 1 . . . . . 72 GLU C . 26314 1 296 . 1 . 1 77 77 GLU CA C 13 56.797 0.083 . 1 . . . . . 72 GLU CA . 26314 1 297 . 1 . 1 77 77 GLU CB C 13 29.836 0.165 . 1 . . . . . 72 GLU CB . 26314 1 298 . 1 . 1 77 77 GLU N N 15 122.279 0.040 . 1 . . . . . 72 GLU N . 26314 1 299 . 1 . 1 78 78 TRP H H 1 8.062 0.002 . 1 . . . . . 73 TRP H . 26314 1 300 . 1 . 1 78 78 TRP C C 13 181.514 0.011 . 1 . . . . . 73 TRP C . 26314 1 301 . 1 . 1 78 78 TRP CA C 13 57.025 0.213 . 1 . . . . . 73 TRP CA . 26314 1 302 . 1 . 1 78 78 TRP CB C 13 29.744 0.111 . 1 . . . . . 73 TRP CB . 26314 1 303 . 1 . 1 78 78 TRP N N 15 121.678 0.062 . 1 . . . . . 73 TRP N . 26314 1 304 . 1 . 1 79 79 PHE H H 1 7.922 0.003 . 1 . . . . . 74 PHE H . 26314 1 305 . 1 . 1 79 79 PHE C C 13 180.466 0.005 . 1 . . . . . 74 PHE C . 26314 1 306 . 1 . 1 79 79 PHE CA C 13 57.564 0.028 . 1 . . . . . 74 PHE CA . 26314 1 307 . 1 . 1 79 79 PHE CB C 13 39.624 0.145 . 1 . . . . . 74 PHE CB . 26314 1 308 . 1 . 1 79 79 PHE N N 15 121.943 0.031 . 1 . . . . . 74 PHE N . 26314 1 309 . 1 . 1 80 80 ILE H H 1 7.966 0.003 . 1 . . . . . 75 ILE H . 26314 1 310 . 1 . 1 80 80 ILE C C 13 179.947 0.000 . 1 . . . . . 75 ILE C . 26314 1 311 . 1 . 1 80 80 ILE CA C 13 58.217 0.026 . 1 . . . . . 75 ILE CA . 26314 1 312 . 1 . 1 80 80 ILE CB C 13 38.857 0.000 . 1 . . . . . 75 ILE CB . 26314 1 313 . 1 . 1 80 80 ILE N N 15 125.796 0.028 . 1 . . . . . 75 ILE N . 26314 1 314 . 1 . 1 81 81 PRO C C 13 182.525 0.002 . 1 . . . . . 76 PRO C . 26314 1 315 . 1 . 1 81 81 PRO CA C 13 63.217 0.043 . 1 . . . . . 76 PRO CA . 26314 1 316 . 1 . 1 81 81 PRO CB C 13 32.095 0.016 . 1 . . . . . 76 PRO CB . 26314 1 317 . 1 . 1 82 82 ALA H H 1 8.299 0.003 . 1 . . . . . 77 ALA H . 26314 1 318 . 1 . 1 82 82 ALA C C 13 183.941 0.001 . 1 . . . . . 77 ALA C . 26314 1 319 . 1 . 1 82 82 ALA CA C 13 52.832 0.077 . 1 . . . . . 77 ALA CA . 26314 1 320 . 1 . 1 82 82 ALA CB C 13 19.084 0.079 . 1 . . . . . 77 ALA CB . 26314 1 321 . 1 . 1 82 82 ALA N N 15 123.895 0.033 . 1 . . . . . 77 ALA N . 26314 1 322 . 1 . 1 83 83 ARG H H 1 8.21 0.003 . 1 . . . . . 78 ARG H . 26314 1 323 . 1 . 1 83 83 ARG C C 13 181.915 0.013 . 1 . . . . . 78 ARG C . 26314 1 324 . 1 . 1 83 83 ARG CA C 13 56.218 0.137 . 1 . . . . . 78 ARG CA . 26314 1 325 . 1 . 1 83 83 ARG CB C 13 31.059 0.030 . 1 . . . . . 78 ARG CB . 26314 1 326 . 1 . 1 83 83 ARG N N 15 119.645 0.046 . 1 . . . . . 78 ARG N . 26314 1 327 . 1 . 1 84 84 ASP H H 1 8.29 0.002 . 1 . . . . . 79 ASP H . 26314 1 328 . 1 . 1 84 84 ASP C C 13 181.741 0.002 . 1 . . . . . 79 ASP C . 26314 1 329 . 1 . 1 84 84 ASP CA C 13 54.383 0.081 . 1 . . . . . 79 ASP CA . 26314 1 330 . 1 . 1 84 84 ASP CB C 13 41.165 0.050 . 1 . . . . . 79 ASP CB . 26314 1 331 . 1 . 1 84 84 ASP N N 15 120.726 0.067 . 1 . . . . . 79 ASP N . 26314 1 332 . 1 . 1 85 85 LEU H H 1 8.048 0.003 . 1 . . . . . 80 LEU H . 26314 1 333 . 1 . 1 85 85 LEU C C 13 181.245 0.000 . 1 . . . . . 80 LEU C . 26314 1 334 . 1 . 1 85 85 LEU CA C 13 53.208 0.021 . 1 . . . . . 80 LEU CA . 26314 1 335 . 1 . 1 85 85 LEU CB C 13 41.61 0.000 . 1 . . . . . 80 LEU CB . 26314 1 336 . 1 . 1 85 85 LEU N N 15 123.419 0.036 . 1 . . . . . 80 LEU N . 26314 1 337 . 1 . 1 86 86 PRO C C 13 182.992 0.004 . 1 . . . . . 81 PRO C . 26314 1 338 . 1 . 1 86 86 PRO CA C 13 63.309 0.036 . 1 . . . . . 81 PRO CA . 26314 1 339 . 1 . 1 86 86 PRO CB C 13 31.995 0.003 . 1 . . . . . 81 PRO CB . 26314 1 340 . 1 . 1 87 87 GLN H H 1 8.523 0.002 . 1 . . . . . 82 GLN H . 26314 1 341 . 1 . 1 87 87 GLN C C 13 182.369 0.006 . 1 . . . . . 82 GLN C . 26314 1 342 . 1 . 1 87 87 GLN CA C 13 56.019 0.088 . 1 . . . . . 82 GLN CA . 26314 1 343 . 1 . 1 87 87 GLN CB C 13 29.659 0.011 . 1 . . . . . 82 GLN CB . 26314 1 344 . 1 . 1 87 87 GLN N N 15 120.709 0.033 . 1 . . . . . 82 GLN N . 26314 1 345 . 1 . 1 88 88 THR H H 1 8.179 0.003 . 1 . . . . . 83 THR H . 26314 1 346 . 1 . 1 88 88 THR C C 13 180.73 0.011 . 1 . . . . . 83 THR C . 26314 1 347 . 1 . 1 88 88 THR CA C 13 61.881 0.031 . 1 . . . . . 83 THR CA . 26314 1 348 . 1 . 1 88 88 THR CB C 13 69.884 0.016 . 1 . . . . . 83 THR CB . 26314 1 349 . 1 . 1 88 88 THR N N 15 115.102 0.037 . 1 . . . . . 83 THR N . 26314 1 350 . 1 . 1 89 89 MET H H 1 8.452 0.002 . 1 . . . . . 84 MET H . 26314 1 351 . 1 . 1 89 89 MET C C 13 182.092 0.004 . 1 . . . . . 84 MET C . 26314 1 352 . 1 . 1 89 89 MET CA C 13 55.789 0.096 . 1 . . . . . 84 MET CA . 26314 1 353 . 1 . 1 89 89 MET CB C 13 32.708 0.076 . 1 . . . . . 84 MET CB . 26314 1 354 . 1 . 1 89 89 MET N N 15 122.253 0.020 . 1 . . . . . 84 MET N . 26314 1 355 . 1 . 1 90 90 ASP H H 1 8.325 0.003 . 1 . . . . . 85 ASP H . 26314 1 356 . 1 . 1 90 90 ASP N N 15 121.103 0.038 . 1 . . . . . 85 ASP N . 26314 1 357 . 1 . 1 93 93 GLN CA C 13 56.9 0.165 . 1 . . . . . 88 GLN CA . 26314 1 358 . 1 . 1 93 93 GLN CB C 13 30.107 0.000 . 1 . . . . . 88 GLN CB . 26314 1 359 . 1 . 1 94 94 ASP H H 1 8.314 0.003 . 1 . . . . . 89 ASP H . 26314 1 360 . 1 . 1 94 94 ASP C C 13 182.216 0.002 . 1 . . . . . 89 ASP C . 26314 1 361 . 1 . 1 94 94 ASP CA C 13 54.784 0.040 . 1 . . . . . 89 ASP CA . 26314 1 362 . 1 . 1 94 94 ASP CB C 13 41.155 0.028 . 1 . . . . . 89 ASP CB . 26314 1 363 . 1 . 1 94 94 ASP N N 15 121.654 0.089 . 1 . . . . . 89 ASP N . 26314 1 364 . 1 . 1 95 95 GLN H H 1 8.198 0.002 . 1 . . . . . 90 GLN H . 26314 1 365 . 1 . 1 95 95 GLN C C 13 181.811 0.009 . 1 . . . . . 90 GLN C . 26314 1 366 . 1 . 1 95 95 GLN CA C 13 56.248 0.085 . 1 . . . . . 90 GLN CA . 26314 1 367 . 1 . 1 95 95 GLN CB C 13 29.403 0.027 . 1 . . . . . 90 GLN CB . 26314 1 368 . 1 . 1 95 95 GLN N N 15 119.946 0.029 . 1 . . . . . 90 GLN N . 26314 1 369 . 1 . 1 96 96 PHE H H 1 8.261 0.003 . 1 . . . . . 91 PHE H . 26314 1 370 . 1 . 1 96 96 PHE C C 13 181.615 0.006 . 1 . . . . . 91 PHE C . 26314 1 371 . 1 . 1 96 96 PHE CA C 13 57.932 0.070 . 1 . . . . . 91 PHE CA . 26314 1 372 . 1 . 1 96 96 PHE CB C 13 39.347 0.028 . 1 . . . . . 91 PHE CB . 26314 1 373 . 1 . 1 96 96 PHE N N 15 120.511 0.120 . 1 . . . . . 91 PHE N . 26314 1 374 . 1 . 1 97 97 ASN H H 1 8.214 0.002 . 1 . . . . . 92 ASN H . 26314 1 375 . 1 . 1 97 97 ASN C C 13 180.711 0.014 . 1 . . . . . 92 ASN C . 26314 1 376 . 1 . 1 97 97 ASN CA C 13 53.498 0.041 . 1 . . . . . 92 ASN CA . 26314 1 377 . 1 . 1 97 97 ASN CB C 13 39.224 0.014 . 1 . . . . . 92 ASN CB . 26314 1 378 . 1 . 1 97 97 ASN N N 15 120.182 0.042 . 1 . . . . . 92 ASN N . 26314 1 379 . 1 . 1 98 98 ASP H H 1 8.239 0.004 . 1 . . . . . 93 ASP H . 26314 1 380 . 1 . 1 98 98 ASP C C 13 181.969 0.003 . 1 . . . . . 93 ASP C . 26314 1 381 . 1 . 1 98 98 ASP CA C 13 54.652 0.093 . 1 . . . . . 93 ASP CA . 26314 1 382 . 1 . 1 98 98 ASP CB C 13 41.053 0.032 . 1 . . . . . 93 ASP CB . 26314 1 383 . 1 . 1 98 98 ASP N N 15 120.612 0.075 . 1 . . . . . 93 ASP N . 26314 1 384 . 1 . 1 99 99 LEU H H 1 8.011 0.004 . 1 . . . . . 94 LEU H . 26314 1 385 . 1 . 1 99 99 LEU C C 13 183.131 0.006 . 1 . . . . . 94 LEU C . 26314 1 386 . 1 . 1 99 99 LEU CA C 13 55.479 0.055 . 1 . . . . . 94 LEU CA . 26314 1 387 . 1 . 1 99 99 LEU CB C 13 42.395 0.030 . 1 . . . . . 94 LEU CB . 26314 1 388 . 1 . 1 99 99 LEU N N 15 121.758 0.036 . 1 . . . . . 94 LEU N . 26314 1 389 . 1 . 1 100 100 VAL H H 1 8.077 0.003 . 1 . . . . . 95 VAL H . 26314 1 390 . 1 . 1 100 100 VAL C C 13 182.038 0.007 . 1 . . . . . 95 VAL C . 26314 1 391 . 1 . 1 100 100 VAL CA C 13 62.546 0.075 . 1 . . . . . 95 VAL CA . 26314 1 392 . 1 . 1 100 100 VAL CB C 13 32.573 0.017 . 1 . . . . . 95 VAL CB . 26314 1 393 . 1 . 1 100 100 VAL N N 15 122.289 0.053 . 1 . . . . . 95 VAL N . 26314 1 394 . 1 . 1 101 101 ILE H H 1 8.274 0.002 . 1 . . . . . 96 ILE H . 26314 1 395 . 1 . 1 101 101 ILE C C 13 182.274 0.008 . 1 . . . . . 96 ILE C . 26314 1 396 . 1 . 1 101 101 ILE CA C 13 60.95 0.076 . 1 . . . . . 96 ILE CA . 26314 1 397 . 1 . 1 101 101 ILE CB C 13 38.566 0.025 . 1 . . . . . 96 ILE CB . 26314 1 398 . 1 . 1 101 101 ILE N N 15 125.619 0.043 . 1 . . . . . 96 ILE N . 26314 1 399 . 1 . 1 102 102 SER H H 1 8.419 0.002 . 1 . . . . . 97 SER H . 26314 1 400 . 1 . 1 102 102 SER C C 13 180.338 0.016 . 1 . . . . . 97 SER C . 26314 1 401 . 1 . 1 102 102 SER CA C 13 58.204 0.067 . 1 . . . . . 97 SER CA . 26314 1 402 . 1 . 1 102 102 SER CB C 13 63.998 0.070 . 1 . . . . . 97 SER CB . 26314 1 403 . 1 . 1 102 102 SER N N 15 120.491 0.040 . 1 . . . . . 97 SER N . 26314 1 404 . 1 . 1 103 103 ASP H H 1 8.385 0.002 . 1 . . . . . 98 ASP H . 26314 1 405 . 1 . 1 103 103 ASP C C 13 182.955 0.001 . 1 . . . . . 98 ASP C . 26314 1 406 . 1 . 1 103 103 ASP CA C 13 54.429 0.036 . 1 . . . . . 98 ASP CA . 26314 1 407 . 1 . 1 103 103 ASP CB C 13 41.15 0.009 . 1 . . . . . 98 ASP CB . 26314 1 408 . 1 . 1 103 103 ASP N N 15 123.008 0.084 . 1 . . . . . 98 ASP N . 26314 1 409 . 1 . 1 104 104 GLY H H 1 8.442 0.002 . 1 . . . . . 99 GLY H . 26314 1 410 . 1 . 1 104 104 GLY C C 13 180.7 0.007 . 1 . . . . . 99 GLY C . 26314 1 411 . 1 . 1 104 104 GLY CA C 13 45.652 0.038 . 1 . . . . . 99 GLY CA . 26314 1 412 . 1 . 1 104 104 GLY N N 15 109.726 0.033 . 1 . . . . . 99 GLY N . 26314 1 413 . 1 . 1 105 105 SER H H 1 8.244 0.002 . 1 . . . . . 100 SER H . 26314 1 414 . 1 . 1 105 105 SER C C 13 180.686 0.013 . 1 . . . . . 100 SER C . 26314 1 415 . 1 . 1 105 105 SER CA C 13 58.933 0.157 . 1 . . . . . 100 SER CA . 26314 1 416 . 1 . 1 105 105 SER CB C 13 64.027 0.071 . 1 . . . . . 100 SER CB . 26314 1 417 . 1 . 1 105 105 SER N N 15 116.168 0.041 . 1 . . . . . 100 SER N . 26314 1 418 . 1 . 1 106 106 SER H H 1 8.435 0.003 . 1 . . . . . 101 SER H . 26314 1 419 . 1 . 1 106 106 SER C C 13 180.876 0.000 . 1 . . . . . 101 SER C . 26314 1 420 . 1 . 1 106 106 SER CA C 13 58.437 0.115 . 1 . . . . . 101 SER CA . 26314 1 421 . 1 . 1 106 106 SER CB C 13 63.965 0.027 . 1 . . . . . 101 SER CB . 26314 1 422 . 1 . 1 106 106 SER N N 15 117.713 0.063 . 1 . . . . . 101 SER N . 26314 1 423 . 1 . 1 107 107 LEU H H 1 8.332 0.002 . 1 . . . . . 102 LEU H . 26314 1 424 . 1 . 1 107 107 LEU C C 13 183.924 0.012 . 1 . . . . . 102 LEU C . 26314 1 425 . 1 . 1 107 107 LEU CA C 13 56.095 0.108 . 1 . . . . . 102 LEU CA . 26314 1 426 . 1 . 1 107 107 LEU CB C 13 42.066 0.055 . 1 . . . . . 102 LEU CB . 26314 1 427 . 1 . 1 107 107 LEU N N 15 124.11 0.042 . 1 . . . . . 102 LEU N . 26314 1 428 . 1 . 1 108 108 GLU H H 1 8.306 0.003 . 1 . . . . . 103 GLU H . 26314 1 429 . 1 . 1 108 108 GLU C C 13 182.589 0.016 . 1 . . . . . 103 GLU C . 26314 1 430 . 1 . 1 108 108 GLU CA C 13 57.388 0.041 . 1 . . . . . 103 GLU CA . 26314 1 431 . 1 . 1 108 108 GLU CB C 13 30.078 0.027 . 1 . . . . . 103 GLU CB . 26314 1 432 . 1 . 1 108 108 GLU N N 15 120.259 0.044 . 1 . . . . . 103 GLU N . 26314 1 433 . 1 . 1 109 109 ASP H H 1 8.142 0.002 . 1 . . . . . 104 ASP H . 26314 1 434 . 1 . 1 109 109 ASP C C 13 182.437 0.014 . 1 . . . . . 104 ASP C . 26314 1 435 . 1 . 1 109 109 ASP CA C 13 54.971 0.114 . 1 . . . . . 104 ASP CA . 26314 1 436 . 1 . 1 109 109 ASP CB C 13 41.096 0.024 . 1 . . . . . 104 ASP CB . 26314 1 437 . 1 . 1 109 109 ASP N N 15 120.493 0.019 . 1 . . . . . 104 ASP N . 26314 1 438 . 1 . 1 110 110 LEU H H 1 7.998 0.003 . 1 . . . . . 105 LEU H . 26314 1 439 . 1 . 1 110 110 LEU C C 13 183.717 0.002 . 1 . . . . . 105 LEU C . 26314 1 440 . 1 . 1 110 110 LEU CA C 13 55.829 0.104 . 1 . . . . . 105 LEU CA . 26314 1 441 . 1 . 1 110 110 LEU CB C 13 42.304 0.019 . 1 . . . . . 105 LEU CB . 26314 1 442 . 1 . 1 110 110 LEU N N 15 121.667 0.081 . 1 . . . . . 105 LEU N . 26314 1 443 . 1 . 1 111 111 VAL H H 1 7.982 0.003 . 1 . . . . . 106 VAL H . 26314 1 444 . 1 . 1 111 111 VAL C C 13 182.569 0.008 . 1 . . . . . 106 VAL C . 26314 1 445 . 1 . 1 111 111 VAL CA C 13 63.319 0.033 . 1 . . . . . 106 VAL CA . 26314 1 446 . 1 . 1 111 111 VAL CB C 13 32.39 0.004 . 1 . . . . . 106 VAL CB . 26314 1 447 . 1 . 1 111 111 VAL N N 15 121.211 0.056 . 1 . . . . . 106 VAL N . 26314 1 448 . 1 . 1 112 112 VAL H H 1 8.106 0.003 . 1 . . . . . 107 VAL H . 26314 1 449 . 1 . 1 112 112 VAL C C 13 182.575 0.007 . 1 . . . . . 107 VAL C . 26314 1 450 . 1 . 1 112 112 VAL CA C 13 63.111 0.048 . 1 . . . . . 107 VAL CA . 26314 1 451 . 1 . 1 112 112 VAL CB C 13 32.373 0.086 . 1 . . . . . 107 VAL CB . 26314 1 452 . 1 . 1 112 112 VAL N N 15 123.949 0.032 . 1 . . . . . 107 VAL N . 26314 1 453 . 1 . 1 113 113 LYS H H 1 8.326 0.003 . 1 . . . . . 108 LYS H . 26314 1 454 . 1 . 1 113 113 LYS C C 13 182.771 0.007 . 1 . . . . . 108 LYS C . 26314 1 455 . 1 . 1 113 113 LYS CA C 13 56.697 0.025 . 1 . . . . . 108 LYS CA . 26314 1 456 . 1 . 1 113 113 LYS CB C 13 32.913 0.099 . 1 . . . . . 108 LYS CB . 26314 1 457 . 1 . 1 113 113 LYS N N 15 124.712 0.068 . 1 . . . . . 108 LYS N . 26314 1 458 . 1 . 1 114 114 SER H H 1 8.213 0.004 . 1 . . . . . 109 SER H . 26314 1 459 . 1 . 1 114 114 SER C C 13 180.329 0.000 . 1 . . . . . 109 SER C . 26314 1 460 . 1 . 1 114 114 SER CA C 13 58.59 0.064 . 1 . . . . . 109 SER CA . 26314 1 461 . 1 . 1 114 114 SER CB C 13 63.88 0.045 . 1 . . . . . 109 SER CB . 26314 1 462 . 1 . 1 114 114 SER N N 15 116.346 0.043 . 1 . . . . . 109 SER N . 26314 1 463 . 1 . 1 115 115 ASN H H 1 8.381 0.002 . 1 . . . . . 110 ASN H . 26314 1 464 . 1 . 1 115 115 ASN C C 13 180.992 0.000 . 1 . . . . . 110 ASN C . 26314 1 465 . 1 . 1 115 115 ASN CA C 13 53.436 0.028 . 1 . . . . . 110 ASN CA . 26314 1 466 . 1 . 1 115 115 ASN CB C 13 38.719 0.000 . 1 . . . . . 110 ASN CB . 26314 1 467 . 1 . 1 115 115 ASN N N 15 120.618 0.076 . 1 . . . . . 110 ASN N . 26314 1 468 . 1 . 1 118 118 PRO C C 13 182.855 0.005 . 1 . . . . . 113 PRO C . 26314 1 469 . 1 . 1 118 118 PRO CA C 13 63.879 0.040 . 1 . . . . . 113 PRO CA . 26314 1 470 . 1 . 1 118 118 PRO CB C 13 32.048 0.013 . 1 . . . . . 113 PRO CB . 26314 1 471 . 1 . 1 119 119 ASN H H 1 8.311 0.004 . 1 . . . . . 114 ASN H . 26314 1 472 . 1 . 1 119 119 ASN C C 13 181.003 0.004 . 1 . . . . . 114 ASN C . 26314 1 473 . 1 . 1 119 119 ASN CA C 13 53.258 0.018 . 1 . . . . . 114 ASN CA . 26314 1 474 . 1 . 1 119 119 ASN CB C 13 38.819 0.038 . 1 . . . . . 114 ASN CB . 26314 1 475 . 1 . 1 119 119 ASN N N 15 117.156 0.040 . 1 . . . . . 114 ASN N . 26314 1 476 . 1 . 1 120 120 ALA H H 1 7.909 0.002 . 1 . . . . . 115 ALA H . 26314 1 477 . 1 . 1 120 120 ALA C C 13 183.655 0.012 . 1 . . . . . 115 ALA C . 26314 1 478 . 1 . 1 120 120 ALA CA C 13 52.947 0.048 . 1 . . . . . 115 ALA CA . 26314 1 479 . 1 . 1 120 120 ALA CB C 13 19.254 0.074 . 1 . . . . . 115 ALA CB . 26314 1 480 . 1 . 1 120 120 ALA N N 15 124.056 0.031 . 1 . . . . . 115 ALA N . 26314 1 481 . 1 . 1 121 121 LYS H H 1 8.221 0.002 . 1 . . . . . 116 LYS H . 26314 1 482 . 1 . 1 121 121 LYS C C 13 182.469 0.004 . 1 . . . . . 116 LYS C . 26314 1 483 . 1 . 1 121 121 LYS CA C 13 56.281 0.000 . 1 . . . . . 116 LYS CA . 26314 1 484 . 1 . 1 121 121 LYS CB C 13 32.913 0.068 . 1 . . . . . 116 LYS CB . 26314 1 485 . 1 . 1 121 121 LYS N N 15 120.214 0.032 . 1 . . . . . 116 LYS N . 26314 1 486 . 1 . 1 122 122 GLU H H 1 8.252 0.002 . 1 . . . . . 117 GLU H . 26314 1 487 . 1 . 1 122 122 GLU CA C 13 56.536 0.015 . 1 . . . . . 117 GLU CA . 26314 1 488 . 1 . 1 122 122 GLU CB C 13 30.224 0.000 . 1 . . . . . 117 GLU CB . 26314 1 489 . 1 . 1 122 122 GLU N N 15 121.007 0.108 . 1 . . . . . 117 GLU N . 26314 1 490 . 1 . 1 125 125 PRO C C 13 183.423 0.005 . 1 . . . . . 120 PRO C . 26314 1 491 . 1 . 1 125 125 PRO CA C 13 63.445 0.012 . 1 . . . . . 120 PRO CA . 26314 1 492 . 1 . 1 125 125 PRO CB C 13 32.089 0.019 . 1 . . . . . 120 PRO CB . 26314 1 493 . 1 . 1 126 126 GLY H H 1 8.42 0.002 . 1 . . . . . 121 GLY H . 26314 1 494 . 1 . 1 126 126 GLY C C 13 180.129 0.005 . 1 . . . . . 121 GLY C . 26314 1 495 . 1 . 1 126 126 GLY CA C 13 45.338 0.037 . 1 . . . . . 121 GLY CA . 26314 1 496 . 1 . 1 126 126 GLY N N 15 109.334 0.064 . 1 . . . . . 121 GLY N . 26314 1 497 . 1 . 1 127 127 VAL H H 1 7.832 0.007 . 1 . . . . . 122 VAL H . 26314 1 498 . 1 . 1 127 127 VAL C C 13 181.844 0.009 . 1 . . . . . 122 VAL C . 26314 1 499 . 1 . 1 127 127 VAL CA C 13 62.446 0.070 . 1 . . . . . 122 VAL CA . 26314 1 500 . 1 . 1 127 127 VAL CB C 13 32.679 0.054 . 1 . . . . . 122 VAL CB . 26314 1 501 . 1 . 1 127 127 VAL N N 15 120.018 0.038 . 1 . . . . . 122 VAL N . 26314 1 502 . 1 . 1 128 128 LYS H H 1 8.311 0.003 . 1 . . . . . 123 LYS H . 26314 1 503 . 1 . 1 128 128 LYS C C 13 182.006 0.023 . 1 . . . . . 123 LYS C . 26314 1 504 . 1 . 1 128 128 LYS CA C 13 56.093 0.167 . 1 . . . . . 123 LYS CA . 26314 1 505 . 1 . 1 128 128 LYS CB C 13 33.042 0.046 . 1 . . . . . 123 LYS CB . 26314 1 506 . 1 . 1 128 128 LYS N N 15 125.189 0.031 . 1 . . . . . 123 LYS N . 26314 1 507 . 1 . 1 129 129 TYR H H 1 8.245 0.002 . 1 . . . . . 124 TYR H . 26314 1 508 . 1 . 1 129 129 TYR C C 13 182.195 0.006 . 1 . . . . . 124 TYR C . 26314 1 509 . 1 . 1 129 129 TYR CA C 13 58.135 0.152 . 1 . . . . . 124 TYR CA . 26314 1 510 . 1 . 1 129 129 TYR CB C 13 39.031 0.068 . 1 . . . . . 124 TYR CB . 26314 1 511 . 1 . 1 129 129 TYR N N 15 122.123 0.037 . 1 . . . . . 124 TYR N . 26314 1 512 . 1 . 1 130 130 GLY H H 1 8.307 0.004 . 1 . . . . . 125 GLY H . 26314 1 513 . 1 . 1 130 130 GLY C C 13 179.617 0.004 . 1 . . . . . 125 GLY C . 26314 1 514 . 1 . 1 130 130 GLY CA C 13 45.308 0.023 . 1 . . . . . 125 GLY CA . 26314 1 515 . 1 . 1 130 130 GLY N N 15 110.296 0.055 . 1 . . . . . 125 GLY N . 26314 1 516 . 1 . 1 131 131 ASN H H 1 8.301 0.002 . 1 . . . . . 126 ASN H . 26314 1 517 . 1 . 1 131 131 ASN C C 13 180.198 0.004 . 1 . . . . . 126 ASN C . 26314 1 518 . 1 . 1 131 131 ASN CA C 13 53.444 0.054 . 1 . . . . . 126 ASN CA . 26314 1 519 . 1 . 1 131 131 ASN CB C 13 38.981 0.009 . 1 . . . . . 126 ASN CB . 26314 1 520 . 1 . 1 131 131 ASN N N 15 119.01 0.054 . 1 . . . . . 126 ASN N . 26314 1 521 . 1 . 1 132 132 ILE H H 1 7.655 0.003 . 1 . . . . . 127 ILE H . 26314 1 522 . 1 . 1 132 132 ILE C C 13 186.983 0.000 . 1 . . . . . 127 ILE C . 26314 1 523 . 1 . 1 132 132 ILE CA C 13 63.104 0.049 . 1 . . . . . 127 ILE CA . 26314 1 524 . 1 . 1 132 132 ILE CB C 13 39.784 0.000 . 1 . . . . . 127 ILE CB . 26314 1 525 . 1 . 1 132 132 ILE N N 15 124.658 0.045 . 1 . . . . . 127 ILE N . 26314 1 stop_ save_