data_51828 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51828 _Entry.Title ; Backbone assignment of Mus Musculus FAM122A 1-124 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-02-10 _Entry.Accession_date 2023-02-10 _Entry.Last_release_date 2023-02-10 _Entry.Original_release_date 2023-02-10 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; Sequence specific backbone assignment of PP2A-B55 inhibitor FAM122A 1-124. Expanded assignment of BMRB entry 51682. ; _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 Margaret Vos . R. . . 51828 2 Rebecca Page . . . . 51828 3 Wolfgang Peti . . . . 51828 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51828 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 325 51828 '15N chemical shifts' 113 51828 '1H chemical shifts' 113 51828 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2024-01-23 2023-02-10 update BMRB 'update entry citation' 51828 1 . . 2023-10-19 2023-02-10 original author 'original release' 51828 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51682 'FAM122A 29-120' 51828 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51828 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38123684 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Cryo-EM structures of PP2A:B55-FAM122A and PP2A:B55-ARPP19 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Nature _Citation.Journal_name_full Nature _Citation.Journal_volume 625 _Citation.Journal_issue 7993 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1476-4687 _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 195 _Citation.Page_last 203 _Citation.Year 2024 _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 Sathish Padi . . . . 51828 1 2 Margaret Vos M. R. . . 51828 1 3 Rachel Godek R. J. . . 51828 1 4 James Fuller J. R. . . 51828 1 5 Thomas Kruse T. . . . 51828 1 6 Jamin Hein J. B. . . 51828 1 7 Jakob Nilsson J. . . . 51828 1 8 Matthew Kelker M. S. . . 51828 1 9 Rebecca Page R. . . . 51828 1 10 Wolfgang Peti W. . . . 51828 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51828 _Assembly.ID 1 _Assembly.Name FAM122A_1-124 _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 no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 'FAM122A 1-124' 1 $entity_1 . . yes native no no . . . 51828 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51828 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHMAQEKMELDLELPAGASP AEGGGPGGGGLRRSNSAPLI HGLSDSSPVFQAEAPSARRN STTFPSRHGLLLPASPVRMH SSRLHQIKQEEGMDLINRET VHEREVQTAMQISHSWEESF SLSDND ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'N-terminal residues "GH" are a cloning artifact.' _Entity.Polymer_author_seq_details 'FAM122A residues 1-124 starting with MAQEK from Mus musculus.' _Entity.Ambiguous_conformational_states no _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 126 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation None _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13635 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'FAM122A, via its N-terminal residues, interacts with and inhibits the Protein Phosphatase 2A (PP2A)-B55 complex.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 51828 1 2 . HIS . 51828 1 3 . MET . 51828 1 4 . ALA . 51828 1 5 . GLN . 51828 1 6 . GLU . 51828 1 7 . LYS . 51828 1 8 . MET . 51828 1 9 . GLU . 51828 1 10 . LEU . 51828 1 11 . ASP . 51828 1 12 . LEU . 51828 1 13 . GLU . 51828 1 14 . LEU . 51828 1 15 . PRO . 51828 1 16 . ALA . 51828 1 17 . GLY . 51828 1 18 . ALA . 51828 1 19 . SER . 51828 1 20 . PRO . 51828 1 21 . ALA . 51828 1 22 . GLU . 51828 1 23 . GLY . 51828 1 24 . GLY . 51828 1 25 . GLY . 51828 1 26 . PRO . 51828 1 27 . GLY . 51828 1 28 . GLY . 51828 1 29 . GLY . 51828 1 30 . GLY . 51828 1 31 . LEU . 51828 1 32 . ARG . 51828 1 33 . ARG . 51828 1 34 . SER . 51828 1 35 . ASN . 51828 1 36 . SER . 51828 1 37 . ALA . 51828 1 38 . PRO . 51828 1 39 . LEU . 51828 1 40 . ILE . 51828 1 41 . HIS . 51828 1 42 . GLY . 51828 1 43 . LEU . 51828 1 44 . SER . 51828 1 45 . ASP . 51828 1 46 . SER . 51828 1 47 . SER . 51828 1 48 . PRO . 51828 1 49 . VAL . 51828 1 50 . PHE . 51828 1 51 . GLN . 51828 1 52 . ALA . 51828 1 53 . GLU . 51828 1 54 . ALA . 51828 1 55 . PRO . 51828 1 56 . SER . 51828 1 57 . ALA . 51828 1 58 . ARG . 51828 1 59 . ARG . 51828 1 60 . ASN . 51828 1 61 . SER . 51828 1 62 . THR . 51828 1 63 . THR . 51828 1 64 . PHE . 51828 1 65 . PRO . 51828 1 66 . SER . 51828 1 67 . ARG . 51828 1 68 . HIS . 51828 1 69 . GLY . 51828 1 70 . LEU . 51828 1 71 . LEU . 51828 1 72 . LEU . 51828 1 73 . PRO . 51828 1 74 . ALA . 51828 1 75 . SER . 51828 1 76 . PRO . 51828 1 77 . VAL . 51828 1 78 . ARG . 51828 1 79 . MET . 51828 1 80 . HIS . 51828 1 81 . SER . 51828 1 82 . SER . 51828 1 83 . ARG . 51828 1 84 . LEU . 51828 1 85 . HIS . 51828 1 86 . GLN . 51828 1 87 . ILE . 51828 1 88 . LYS . 51828 1 89 . GLN . 51828 1 90 . GLU . 51828 1 91 . GLU . 51828 1 92 . GLY . 51828 1 93 . MET . 51828 1 94 . ASP . 51828 1 95 . LEU . 51828 1 96 . ILE . 51828 1 97 . ASN . 51828 1 98 . ARG . 51828 1 99 . GLU . 51828 1 100 . THR . 51828 1 101 . VAL . 51828 1 102 . HIS . 51828 1 103 . GLU . 51828 1 104 . ARG . 51828 1 105 . GLU . 51828 1 106 . VAL . 51828 1 107 . GLN . 51828 1 108 . THR . 51828 1 109 . ALA . 51828 1 110 . MET . 51828 1 111 . GLN . 51828 1 112 . ILE . 51828 1 113 . SER . 51828 1 114 . HIS . 51828 1 115 . SER . 51828 1 116 . TRP . 51828 1 117 . GLU . 51828 1 118 . GLU . 51828 1 119 . SER . 51828 1 120 . PHE . 51828 1 121 . SER . 51828 1 122 . LEU . 51828 1 123 . SER . 51828 1 124 . ASP . 51828 1 125 . ASN . 51828 1 126 . ASP . 51828 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 51828 1 . HIS 2 2 51828 1 . MET 3 3 51828 1 . ALA 4 4 51828 1 . GLN 5 5 51828 1 . GLU 6 6 51828 1 . LYS 7 7 51828 1 . MET 8 8 51828 1 . GLU 9 9 51828 1 . LEU 10 10 51828 1 . ASP 11 11 51828 1 . LEU 12 12 51828 1 . GLU 13 13 51828 1 . LEU 14 14 51828 1 . PRO 15 15 51828 1 . ALA 16 16 51828 1 . GLY 17 17 51828 1 . ALA 18 18 51828 1 . SER 19 19 51828 1 . PRO 20 20 51828 1 . ALA 21 21 51828 1 . GLU 22 22 51828 1 . GLY 23 23 51828 1 . GLY 24 24 51828 1 . GLY 25 25 51828 1 . PRO 26 26 51828 1 . GLY 27 27 51828 1 . GLY 28 28 51828 1 . GLY 29 29 51828 1 . GLY 30 30 51828 1 . LEU 31 31 51828 1 . ARG 32 32 51828 1 . ARG 33 33 51828 1 . SER 34 34 51828 1 . ASN 35 35 51828 1 . SER 36 36 51828 1 . ALA 37 37 51828 1 . PRO 38 38 51828 1 . LEU 39 39 51828 1 . ILE 40 40 51828 1 . HIS 41 41 51828 1 . GLY 42 42 51828 1 . LEU 43 43 51828 1 . SER 44 44 51828 1 . ASP 45 45 51828 1 . SER 46 46 51828 1 . SER 47 47 51828 1 . PRO 48 48 51828 1 . VAL 49 49 51828 1 . PHE 50 50 51828 1 . GLN 51 51 51828 1 . ALA 52 52 51828 1 . GLU 53 53 51828 1 . ALA 54 54 51828 1 . PRO 55 55 51828 1 . SER 56 56 51828 1 . ALA 57 57 51828 1 . ARG 58 58 51828 1 . ARG 59 59 51828 1 . ASN 60 60 51828 1 . SER 61 61 51828 1 . THR 62 62 51828 1 . THR 63 63 51828 1 . PHE 64 64 51828 1 . PRO 65 65 51828 1 . SER 66 66 51828 1 . ARG 67 67 51828 1 . HIS 68 68 51828 1 . GLY 69 69 51828 1 . LEU 70 70 51828 1 . LEU 71 71 51828 1 . LEU 72 72 51828 1 . PRO 73 73 51828 1 . ALA 74 74 51828 1 . SER 75 75 51828 1 . PRO 76 76 51828 1 . VAL 77 77 51828 1 . ARG 78 78 51828 1 . MET 79 79 51828 1 . HIS 80 80 51828 1 . SER 81 81 51828 1 . SER 82 82 51828 1 . ARG 83 83 51828 1 . LEU 84 84 51828 1 . HIS 85 85 51828 1 . GLN 86 86 51828 1 . ILE 87 87 51828 1 . LYS 88 88 51828 1 . GLN 89 89 51828 1 . GLU 90 90 51828 1 . GLU 91 91 51828 1 . GLY 92 92 51828 1 . MET 93 93 51828 1 . ASP 94 94 51828 1 . LEU 95 95 51828 1 . ILE 96 96 51828 1 . ASN 97 97 51828 1 . ARG 98 98 51828 1 . GLU 99 99 51828 1 . THR 100 100 51828 1 . VAL 101 101 51828 1 . HIS 102 102 51828 1 . GLU 103 103 51828 1 . ARG 104 104 51828 1 . GLU 105 105 51828 1 . VAL 106 106 51828 1 . GLN 107 107 51828 1 . THR 108 108 51828 1 . ALA 109 109 51828 1 . MET 110 110 51828 1 . GLN 111 111 51828 1 . ILE 112 112 51828 1 . SER 113 113 51828 1 . HIS 114 114 51828 1 . SER 115 115 51828 1 . TRP 116 116 51828 1 . GLU 117 117 51828 1 . GLU 118 118 51828 1 . SER 119 119 51828 1 . PHE 120 120 51828 1 . SER 121 121 51828 1 . LEU 122 122 51828 1 . SER 123 123 51828 1 . ASP 124 124 51828 1 . ASN 125 125 51828 1 . ASP 126 126 51828 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 51828 _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 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 51828 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 51828 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . plasmid . . pTHMT . . . 51828 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51828 _Sample.ID 1 _Sample.Name 'FAM122A 1-124' _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.15 mM FAM122A 1-124, 20 mM Na2HPO4 pH 6.3, 150 mM NaCl, 0.5 mM TCEP, 283 K; 600 MHz' _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 'FAM122A 1-124' '[U-99% 15N]' . . 1 $entity_1 . . 150 . . uM . . . . 51828 1 2 'FAM122A 1-124' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 150 . . uM . . . . 51828 1 3 Na2HPO4 'natural abundance' . . . . . . 20 . . mM . . . . 51828 1 4 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 51828 1 5 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 51828 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 51828 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'FAM122A 1-124_conditions' _Sample_condition_list.Details '0.15 mM FAM122A 1-124, 20 mM Na2HPO4 pH 6.3, 150 mM NaCl, 0.5 mM TCEP, 283K; 600 MHz' 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' 150 . mM 51828 1 pH 6.3 . pH 51828 1 pressure 1 . atm 51828 1 temperature 283 . K 51828 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51828 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51828 1 processing . 51828 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51828 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version 1.8.4.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51828 2 'peak picking' . 51828 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51828 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'NMR Spectrometer' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 51828 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51828 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51828 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51828 1 4 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51828 1 5 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51828 1 6 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51828 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51828 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 51828 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name chem_shift_reference _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 0.2514495 . . . . . 51828 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 51828 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.1013291 . . . . . 51828 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 51828 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name FAM122A_1-124 _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' . . . 51828 1 2 '3D HNCA' . . . 51828 1 3 '3D HNCACB' . . . 51828 1 4 '3D HN(CA)CO' . . . 51828 1 5 '3D HNCO' . . . 51828 1 6 '3D HN(CO)CA' . . . 51828 1 7 '3D CBCA(CO)NH' . . . 51828 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 51828 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 3 3 MET H H 1 8.376 0.020 . 1 . . . . . 3 MET H . 51828 1 2 . 1 . 1 3 3 MET C C 13 172.990 0.3 . 1 . . . . . 3 MET C . 51828 1 3 . 1 . 1 3 3 MET CA C 13 52.506 0.3 . 1 . . . . . 3 MET CA . 51828 1 4 . 1 . 1 3 3 MET CB C 13 29.817 0.3 . 1 . . . . . 3 MET CB . 51828 1 5 . 1 . 1 3 3 MET N N 15 122.662 0.3 . 1 . . . . . 3 MET N . 51828 1 6 . 1 . 1 4 4 ALA H H 1 8.316 0.020 . 1 . . . . . 4 ALA H . 51828 1 7 . 1 . 1 4 4 ALA C C 13 174.881 0.3 . 1 . . . . . 4 ALA C . 51828 1 8 . 1 . 1 4 4 ALA CA C 13 49.908 0.3 . 1 . . . . . 4 ALA CA . 51828 1 9 . 1 . 1 4 4 ALA CB C 13 15.950 0.3 . 1 . . . . . 4 ALA CB . 51828 1 10 . 1 . 1 4 4 ALA N N 15 125.724 0.3 . 1 . . . . . 4 ALA N . 51828 1 11 . 1 . 1 5 5 GLN H H 1 8.231 0.020 . 1 . . . . . 5 GLN H . 51828 1 12 . 1 . 1 5 5 GLN C C 13 173.208 0.3 . 1 . . . . . 5 GLN C . 51828 1 13 . 1 . 1 5 5 GLN CA C 13 53.143 0.3 . 1 . . . . . 5 GLN CA . 51828 1 14 . 1 . 1 5 5 GLN CB C 13 26.681 0.3 . 1 . . . . . 5 GLN CB . 51828 1 15 . 1 . 1 5 5 GLN N N 15 119.610 0.3 . 1 . . . . . 5 GLN N . 51828 1 16 . 1 . 1 6 6 GLU H H 1 8.298 0.020 . 1 . . . . . 6 GLU H . 51828 1 17 . 1 . 1 6 6 GLU C C 13 173.507 0.3 . 1 . . . . . 6 GLU C . 51828 1 18 . 1 . 1 6 6 GLU CA C 13 53.731 0.3 . 1 . . . . . 6 GLU CA . 51828 1 19 . 1 . 1 6 6 GLU CB C 13 27.122 0.3 . 1 . . . . . 6 GLU CB . 51828 1 20 . 1 . 1 6 6 GLU N N 15 122.224 0.3 . 1 . . . . . 6 GLU N . 51828 1 21 . 1 . 1 7 7 LYS H H 1 8.176 0.020 . 1 . . . . . 7 LYS H . 51828 1 22 . 1 . 1 7 7 LYS CA C 13 53.535 0.3 . 1 . . . . . 7 LYS CA . 51828 1 23 . 1 . 1 7 7 LYS CB C 13 29.915 0.3 . 1 . . . . . 7 LYS CB . 51828 1 24 . 1 . 1 7 7 LYS N N 15 122.084 0.3 . 1 . . . . . 7 LYS N . 51828 1 25 . 1 . 1 8 8 MET H H 1 8.234 0.020 . 1 . . . . . 8 MET H . 51828 1 26 . 1 . 1 8 8 MET C C 13 173.384 0.3 . 1 . . . . . 8 MET C . 51828 1 27 . 1 . 1 8 8 MET CA C 13 52.653 0.3 . 1 . . . . . 8 MET CA . 51828 1 28 . 1 . 1 8 8 MET CB C 13 29.915 0.3 . 1 . . . . . 8 MET CB . 51828 1 29 . 1 . 1 8 8 MET N N 15 122.084 0.3 . 1 . . . . . 8 MET N . 51828 1 30 . 1 . 1 9 9 GLU H H 1 8.254 0.020 . 1 . . . . . 9 GLU H . 51828 1 31 . 1 . 1 9 9 GLU C C 13 173.384 0.3 . 1 . . . . . 9 GLU C . 51828 1 32 . 1 . 1 9 9 GLU CA C 13 53.584 0.3 . 1 . . . . . 9 GLU CA . 51828 1 33 . 1 . 1 9 9 GLU CB C 13 27.171 0.3 . 1 . . . . . 9 GLU CB . 51828 1 34 . 1 . 1 9 9 GLU N N 15 122.127 0.3 . 1 . . . . . 9 GLU N . 51828 1 35 . 1 . 1 10 10 LEU H H 1 8.072 0.020 . 1 . . . . . 10 LEU H . 51828 1 36 . 1 . 1 10 10 LEU C C 13 174.114 0.3 . 1 . . . . . 10 LEU C . 51828 1 37 . 1 . 1 10 10 LEU CA C 13 52.114 0.3 . 1 . . . . . 10 LEU CA . 51828 1 38 . 1 . 1 10 10 LEU CB C 13 39.471 0.3 . 1 . . . . . 10 LEU CB . 51828 1 39 . 1 . 1 10 10 LEU N N 15 122.868 0.3 . 1 . . . . . 10 LEU N . 51828 1 40 . 1 . 1 11 11 ASP H H 1 8.190 0.020 . 1 . . . . . 11 ASP H . 51828 1 41 . 1 . 1 11 11 ASP C C 13 173.230 0.3 . 1 . . . . . 11 ASP C . 51828 1 42 . 1 . 1 11 11 ASP CA C 13 51.575 0.3 . 1 . . . . . 11 ASP CA . 51828 1 43 . 1 . 1 11 11 ASP CB C 13 37.854 0.3 . 1 . . . . . 11 ASP CB . 51828 1 44 . 1 . 1 11 11 ASP N N 15 121.126 0.3 . 1 . . . . . 11 ASP N . 51828 1 45 . 1 . 1 12 12 LEU H H 1 7.966 0.020 . 1 . . . . . 12 LEU H . 51828 1 46 . 1 . 1 12 12 LEU C C 13 174.417 0.3 . 1 . . . . . 12 LEU C . 51828 1 47 . 1 . 1 12 12 LEU CA C 13 51.967 0.3 . 1 . . . . . 12 LEU CA . 51828 1 48 . 1 . 1 12 12 LEU CB C 13 39.324 0.3 . 1 . . . . . 12 LEU CB . 51828 1 49 . 1 . 1 12 12 LEU N N 15 122.475 0.3 . 1 . . . . . 12 LEU N . 51828 1 50 . 1 . 1 13 13 GLU H H 1 8.145 0.020 . 1 . . . . . 13 GLU H . 51828 1 51 . 1 . 1 13 13 GLU C C 13 173.262 0.3 . 1 . . . . . 13 GLU C . 51828 1 52 . 1 . 1 13 13 GLU CA C 13 53.339 0.3 . 1 . . . . . 13 GLU CA . 51828 1 53 . 1 . 1 13 13 GLU CB C 13 27.171 0.3 . 1 . . . . . 13 GLU CB . 51828 1 54 . 1 . 1 13 13 GLU N N 15 121.183 0.3 . 1 . . . . . 13 GLU N . 51828 1 55 . 1 . 1 14 14 LEU H H 1 8.069 0.020 . 1 . . . . . 14 LEU H . 51828 1 56 . 1 . 1 14 14 LEU C C 13 172.196 0.3 . 1 . . . . . 14 LEU C . 51828 1 57 . 1 . 1 14 14 LEU CA C 13 50.007 0.3 . 1 . . . . . 14 LEU CA . 51828 1 58 . 1 . 1 14 14 LEU CB C 13 38.638 0.3 . 1 . . . . . 14 LEU CB . 51828 1 59 . 1 . 1 14 14 LEU N N 15 124.819 0.3 . 1 . . . . . 14 LEU N . 51828 1 60 . 1 . 1 16 16 ALA H H 1 8.314 0.020 . 1 . . . . . 16 ALA H . 51828 1 61 . 1 . 1 16 16 ALA C C 13 175.688 0.3 . 1 . . . . . 16 ALA C . 51828 1 62 . 1 . 1 16 16 ALA CA C 13 49.908 0.3 . 1 . . . . . 16 ALA CA . 51828 1 63 . 1 . 1 16 16 ALA CB C 13 15.901 0.3 . 1 . . . . . 16 ALA CB . 51828 1 64 . 1 . 1 16 16 ALA N N 15 124.518 0.3 . 1 . . . . . 16 ALA N . 51828 1 65 . 1 . 1 17 17 GLY H H 1 8.259 0.020 . 1 . . . . . 17 GLY H . 51828 1 66 . 1 . 1 17 17 GLY C C 13 170.822 0.3 . 1 . . . . . 17 GLY C . 51828 1 67 . 1 . 1 17 17 GLY CA C 13 42.166 0.3 . 1 . . . . . 17 GLY CA . 51828 1 68 . 1 . 1 17 17 GLY N N 15 108.598 0.3 . 1 . . . . . 17 GLY N . 51828 1 69 . 1 . 1 18 18 ALA H H 1 7.879 0.020 . 1 . . . . . 18 ALA H . 51828 1 70 . 1 . 1 18 18 ALA C C 13 174.753 0.3 . 1 . . . . . 18 ALA C . 51828 1 71 . 1 . 1 18 18 ALA CA C 13 49.222 0.3 . 1 . . . . . 18 ALA CA . 51828 1 72 . 1 . 1 18 18 ALA CB C 13 16.734 0.3 . 1 . . . . . 18 ALA CB . 51828 1 73 . 1 . 1 18 18 ALA N N 15 123.189 0.3 . 1 . . . . . 18 ALA N . 51828 1 74 . 1 . 1 19 19 SER H H 1 8.259 0.020 . 1 . . . . . 19 SER H . 51828 1 75 . 1 . 1 19 19 SER C C 13 169.922 0.3 . 1 . . . . . 19 SER C . 51828 1 76 . 1 . 1 19 19 SER CA C 13 53.633 0.3 . 1 . . . . . 19 SER CA . 51828 1 77 . 1 . 1 19 19 SER CB C 13 60.248 0.3 . 1 . . . . . 19 SER CB . 51828 1 78 . 1 . 1 19 19 SER N N 15 116.899 0.3 . 1 . . . . . 19 SER N . 51828 1 79 . 1 . 1 21 21 ALA H H 1 8.227 0.020 . 1 . . . . . 21 ALA H . 51828 1 80 . 1 . 1 21 21 ALA C C 13 175.152 0.3 . 1 . . . . . 21 ALA C . 51828 1 81 . 1 . 1 21 21 ALA CA C 13 49.712 0.3 . 1 . . . . . 21 ALA CA . 51828 1 82 . 1 . 1 21 21 ALA CB C 13 16.146 0.3 . 1 . . . . . 21 ALA CB . 51828 1 83 . 1 . 1 21 21 ALA N N 15 124.046 0.3 . 1 . . . . . 21 ALA N . 51828 1 84 . 1 . 1 22 22 GLU H H 1 8.206 0.020 . 1 . . . . . 22 GLU H . 51828 1 85 . 1 . 1 22 22 GLU CA C 13 53.584 0.3 . 1 . . . . . 22 GLU CA . 51828 1 86 . 1 . 1 22 22 GLU CB C 13 27.269 0.3 . 1 . . . . . 22 GLU CB . 51828 1 87 . 1 . 1 22 22 GLU N N 15 119.943 0.3 . 1 . . . . . 22 GLU N . 51828 1 88 . 1 . 1 23 23 GLY H H 1 8.257 0.020 . 1 . . . . . 23 GLY H . 51828 1 89 . 1 . 1 23 23 GLY C C 13 171.760 0.3 . 1 . . . . . 23 GLY C . 51828 1 90 . 1 . 1 23 23 GLY CA C 13 42.460 0.3 . 1 . . . . . 23 GLY CA . 51828 1 91 . 1 . 1 23 23 GLY N N 15 109.943 0.3 . 1 . . . . . 23 GLY N . 51828 1 92 . 1 . 1 24 24 GLY H H 1 8.125 0.020 . 1 . . . . . 24 GLY H . 51828 1 93 . 1 . 1 24 24 GLY C C 13 171.611 0.3 . 1 . . . . . 24 GLY C . 51828 1 94 . 1 . 1 24 24 GLY CA C 13 42.215 0.3 . 1 . . . . . 24 GLY CA . 51828 1 95 . 1 . 1 24 24 GLY N N 15 108.287 0.3 . 1 . . . . . 24 GLY N . 51828 1 96 . 1 . 1 25 25 GLY H H 1 8.046 0.020 . 1 . . . . . 25 GLY H . 51828 1 97 . 1 . 1 25 25 GLY C C 13 175.243 0.3 . 1 . . . . . 25 GLY C . 51828 1 98 . 1 . 1 25 25 GLY CA C 13 41.529 0.3 . 1 . . . . . 25 GLY CA . 51828 1 99 . 1 . 1 25 25 GLY N N 15 108.513 0.3 . 1 . . . . . 25 GLY N . 51828 1 100 . 1 . 1 27 27 GLY H H 1 8.491 0.020 . 1 . . . . . 27 GLY H . 51828 1 101 . 1 . 1 27 27 GLY C C 13 172.101 0.3 . 1 . . . . . 27 GLY C . 51828 1 102 . 1 . 1 27 27 GLY CA C 13 42.460 0.3 . 1 . . . . . 27 GLY CA . 51828 1 103 . 1 . 1 27 27 GLY N N 15 109.731 0.3 . 1 . . . . . 27 GLY N . 51828 1 104 . 1 . 1 28 28 GLY H H 1 8.097 0.020 . 1 . . . . . 28 GLY H . 51828 1 105 . 1 . 1 28 28 GLY C C 13 172.148 0.3 . 1 . . . . . 28 GLY C . 51828 1 106 . 1 . 1 28 28 GLY CA C 13 42.460 0.3 . 1 . . . . . 28 GLY CA . 51828 1 107 . 1 . 1 28 28 GLY N N 15 108.650 0.3 . 1 . . . . . 28 GLY N . 51828 1 108 . 1 . 1 29 29 GLY H H 1 8.197 0.020 . 1 . . . . . 29 GLY H . 51828 1 109 . 1 . 1 29 29 GLY C C 13 171.941 0.3 . 1 . . . . . 29 GLY C . 51828 1 110 . 1 . 1 29 29 GLY CA C 13 42.460 0.3 . 1 . . . . . 29 GLY CA . 51828 1 111 . 1 . 1 29 29 GLY N N 15 108.641 0.3 . 1 . . . . . 29 GLY N . 51828 1 112 . 1 . 1 30 30 GLY H H 1 8.162 0.020 . 1 . . . . . 30 GLY H . 51828 1 113 . 1 . 1 30 30 GLY C C 13 171.238 0.3 . 1 . . . . . 30 GLY C . 51828 1 114 . 1 . 1 30 30 GLY CA C 13 42.264 0.3 . 1 . . . . . 30 GLY CA . 51828 1 115 . 1 . 1 30 30 GLY N N 15 108.595 0.3 . 1 . . . . . 30 GLY N . 51828 1 116 . 1 . 1 31 31 LEU H H 1 7.958 0.020 . 1 . . . . . 31 LEU H . 51828 1 117 . 1 . 1 31 31 LEU C C 13 174.614 0.3 . 1 . . . . . 31 LEU C . 51828 1 118 . 1 . 1 31 31 LEU CA C 13 52.212 0.3 . 1 . . . . . 31 LEU CA . 51828 1 119 . 1 . 1 31 31 LEU CB C 13 39.324 0.3 . 1 . . . . . 31 LEU CB . 51828 1 120 . 1 . 1 31 31 LEU N N 15 121.381 0.3 . 1 . . . . . 31 LEU N . 51828 1 121 . 1 . 1 32 32 ARG H H 1 8.212 0.020 . 1 . . . . . 32 ARG H . 51828 1 122 . 1 . 1 32 32 ARG C C 13 173.389 0.3 . 1 . . . . . 32 ARG C . 51828 1 123 . 1 . 1 32 32 ARG CA C 13 53.192 0.3 . 1 . . . . . 32 ARG CA . 51828 1 124 . 1 . 1 32 32 ARG CB C 13 27.465 0.3 . 1 . . . . . 32 ARG CB . 51828 1 125 . 1 . 1 32 32 ARG N N 15 122.070 0.3 . 1 . . . . . 32 ARG N . 51828 1 126 . 1 . 1 33 33 ARG H H 1 8.265 0.020 . 1 . . . . . 33 ARG H . 51828 1 127 . 1 . 1 33 33 ARG C C 13 173.507 0.3 . 1 . . . . . 33 ARG C . 51828 1 128 . 1 . 1 33 33 ARG CA C 13 53.192 0.3 . 1 . . . . . 33 ARG CA . 51828 1 129 . 1 . 1 33 33 ARG CB C 13 27.808 0.3 . 1 . . . . . 33 ARG CB . 51828 1 130 . 1 . 1 33 33 ARG N N 15 122.798 0.3 . 1 . . . . . 33 ARG N . 51828 1 131 . 1 . 1 34 34 SER H H 1 8.290 0.020 . 1 . . . . . 34 SER H . 51828 1 132 . 1 . 1 34 34 SER C C 13 171.536 0.3 . 1 . . . . . 34 SER C . 51828 1 133 . 1 . 1 34 34 SER CA C 13 55.495 0.3 . 1 . . . . . 34 SER CA . 51828 1 134 . 1 . 1 34 34 SER CB C 13 60.787 0.3 . 1 . . . . . 34 SER CB . 51828 1 135 . 1 . 1 34 34 SER N N 15 117.151 0.3 . 1 . . . . . 34 SER N . 51828 1 136 . 1 . 1 35 35 ASN H H 1 8.386 0.020 . 1 . . . . . 35 ASN H . 51828 1 137 . 1 . 1 35 35 ASN C C 13 172.276 0.3 . 1 . . . . . 35 ASN C . 51828 1 138 . 1 . 1 35 35 ASN CA C 13 50.301 0.3 . 1 . . . . . 35 ASN CA . 51828 1 139 . 1 . 1 35 35 ASN CB C 13 35.796 0.3 . 1 . . . . . 35 ASN CB . 51828 1 140 . 1 . 1 35 35 ASN N N 15 120.960 0.3 . 1 . . . . . 35 ASN N . 51828 1 141 . 1 . 1 36 36 SER H H 1 8.053 0.020 . 1 . . . . . 36 SER H . 51828 1 142 . 1 . 1 36 36 SER C C 13 170.764 0.3 . 1 . . . . . 36 SER C . 51828 1 143 . 1 . 1 36 36 SER CA C 13 55.348 0.3 . 1 . . . . . 36 SER CA . 51828 1 144 . 1 . 1 36 36 SER CB C 13 60.836 0.3 . 1 . . . . . 36 SER CB . 51828 1 145 . 1 . 1 36 36 SER N N 15 115.844 0.3 . 1 . . . . . 36 SER N . 51828 1 146 . 1 . 1 37 37 ALA H H 1 8.079 0.020 . 1 . . . . . 37 ALA H . 51828 1 147 . 1 . 1 37 37 ALA C C 13 172.388 0.3 . 1 . . . . . 37 ALA C . 51828 1 148 . 1 . 1 37 37 ALA CA C 13 47.850 0.3 . 1 . . . . . 37 ALA CA . 51828 1 149 . 1 . 1 37 37 ALA CB C 13 15.117 0.3 . 1 . . . . . 37 ALA CB . 51828 1 150 . 1 . 1 37 37 ALA N N 15 127.051 0.3 . 1 . . . . . 37 ALA N . 51828 1 151 . 1 . 1 40 40 ILE H H 1 7.965 0.020 . 1 . . . . . 40 ILE H . 51828 1 152 . 1 . 1 40 40 ILE C C 13 173.112 0.3 . 1 . . . . . 40 ILE C . 51828 1 153 . 1 . 1 40 40 ILE CA C 13 57.803 0.3 . 1 . . . . . 40 ILE CA . 51828 1 154 . 1 . 1 40 40 ILE CB C 13 35.551 0.3 . 1 . . . . . 40 ILE CB . 51828 1 155 . 1 . 1 40 40 ILE N N 15 122.097 0.3 . 1 . . . . . 40 ILE N . 51828 1 156 . 1 . 1 41 41 HIS H H 1 8.392 0.020 . 1 . . . . . 41 HIS H . 51828 1 157 . 1 . 1 41 41 HIS C C 13 172.234 0.3 . 1 . . . . . 41 HIS C . 51828 1 158 . 1 . 1 41 41 HIS CA C 13 52.702 0.3 . 1 . . . . . 41 HIS CA . 51828 1 159 . 1 . 1 41 41 HIS CB C 13 26.730 0.3 . 1 . . . . . 41 HIS CB . 51828 1 160 . 1 . 1 41 41 HIS N N 15 123.409 0.3 . 1 . . . . . 41 HIS N . 51828 1 161 . 1 . 1 42 42 GLY H H 1 8.302 0.020 . 1 . . . . . 42 GLY H . 51828 1 162 . 1 . 1 42 42 GLY C C 13 171.110 0.3 . 1 . . . . . 42 GLY C . 51828 1 163 . 1 . 1 42 42 GLY CA C 13 42.215 0.3 . 1 . . . . . 42 GLY CA . 51828 1 164 . 1 . 1 42 42 GLY N N 15 110.333 0.3 . 1 . . . . . 42 GLY N . 51828 1 165 . 1 . 1 43 43 LEU H H 1 8.083 0.020 . 1 . . . . . 43 LEU H . 51828 1 166 . 1 . 1 43 43 LEU C C 13 174.897 0.3 . 1 . . . . . 43 LEU C . 51828 1 167 . 1 . 1 43 43 LEU CA C 13 52.310 0.3 . 1 . . . . . 43 LEU CA . 51828 1 168 . 1 . 1 43 43 LEU CB C 13 39.569 0.3 . 1 . . . . . 43 LEU CB . 51828 1 169 . 1 . 1 43 43 LEU N N 15 121.590 0.3 . 1 . . . . . 43 LEU N . 51828 1 170 . 1 . 1 44 44 SER H H 1 8.236 0.020 . 1 . . . . . 44 SER H . 51828 1 171 . 1 . 1 44 44 SER C C 13 171.488 0.3 . 1 . . . . . 44 SER C . 51828 1 172 . 1 . 1 44 44 SER CA C 13 55.495 0.3 . 1 . . . . . 44 SER CA . 51828 1 173 . 1 . 1 44 44 SER CB C 13 60.885 0.3 . 1 . . . . . 44 SER CB . 51828 1 174 . 1 . 1 44 44 SER N N 15 116.097 0.3 . 1 . . . . . 44 SER N . 51828 1 175 . 1 . 1 45 45 ASP H H 1 8.159 0.020 . 1 . . . . . 45 ASP H . 51828 1 176 . 1 . 1 45 45 ASP C C 13 173.283 0.3 . 1 . . . . . 45 ASP C . 51828 1 177 . 1 . 1 45 45 ASP CA C 13 51.673 0.3 . 1 . . . . . 45 ASP CA . 51828 1 178 . 1 . 1 45 45 ASP CB C 13 38.050 0.3 . 1 . . . . . 45 ASP CB . 51828 1 179 . 1 . 1 45 45 ASP N N 15 122.339 0.3 . 1 . . . . . 45 ASP N . 51828 1 180 . 1 . 1 46 46 SER H H 1 8.046 0.020 . 1 . . . . . 46 SER H . 51828 1 181 . 1 . 1 46 46 SER C C 13 171.414 0.3 . 1 . . . . . 46 SER C . 51828 1 182 . 1 . 1 46 46 SER CA C 13 55.380 0.3 . 1 . . . . . 46 SER CA . 51828 1 183 . 1 . 1 46 46 SER CB C 13 60.822 0.3 . 1 . . . . . 46 SER CB . 51828 1 184 . 1 . 1 46 46 SER N N 15 115.666 0.3 . 1 . . . . . 46 SER N . 51828 1 185 . 1 . 1 47 47 SER H H 1 8.124 0.020 . 1 . . . . . 47 SER H . 51828 1 186 . 1 . 1 47 47 SER C C 13 171.731 0.3 . 1 . . . . . 47 SER C . 51828 1 187 . 1 . 1 47 47 SER CA C 13 53.878 0.3 . 1 . . . . . 47 SER CA . 51828 1 188 . 1 . 1 47 47 SER CB C 13 60.199 0.3 . 1 . . . . . 47 SER CB . 51828 1 189 . 1 . 1 47 47 SER N N 15 119.100 0.3 . 1 . . . . . 47 SER N . 51828 1 190 . 1 . 1 49 49 VAL H H 1 7.970 0.020 . 1 . . . . . 49 VAL H . 51828 1 191 . 1 . 1 49 49 VAL C C 13 173.059 0.3 . 1 . . . . . 49 VAL C . 51828 1 192 . 1 . 1 49 49 VAL CA C 13 59.268 0.3 . 1 . . . . . 49 VAL CA . 51828 1 193 . 1 . 1 49 49 VAL CB C 13 29.621 0.3 . 1 . . . . . 49 VAL CB . 51828 1 194 . 1 . 1 49 49 VAL N N 15 120.103 0.3 . 1 . . . . . 49 VAL N . 51828 1 195 . 1 . 1 50 50 PHE H H 1 8.155 0.020 . 1 . . . . . 50 PHE H . 51828 1 196 . 1 . 1 50 50 PHE C C 13 172.330 0.3 . 1 . . . . . 50 PHE C . 51828 1 197 . 1 . 1 50 50 PHE CA C 13 54.956 0.3 . 1 . . . . . 50 PHE CA . 51828 1 198 . 1 . 1 50 50 PHE CB C 13 36.776 0.3 . 1 . . . . . 50 PHE CB . 51828 1 199 . 1 . 1 50 50 PHE N N 15 124.501 0.3 . 1 . . . . . 50 PHE N . 51828 1 200 . 1 . 1 51 51 GLN H H 1 8.031 0.020 . 1 . . . . . 51 GLN H . 51828 1 201 . 1 . 1 51 51 GLN C C 13 171.840 0.3 . 1 . . . . . 51 GLN C . 51828 1 202 . 1 . 1 51 51 GLN CA C 13 52.065 0.3 . 1 . . . . . 51 GLN CA . 51828 1 203 . 1 . 1 51 51 GLN CB C 13 26.730 0.3 . 1 . . . . . 51 GLN CB . 51828 1 204 . 1 . 1 51 51 GLN N N 15 123.499 0.3 . 1 . . . . . 51 GLN N . 51828 1 205 . 1 . 1 52 52 ALA H H 1 8.125 0.020 . 1 . . . . . 52 ALA H . 51828 1 206 . 1 . 1 52 52 ALA C C 13 174.721 0.3 . 1 . . . . . 52 ALA C . 51828 1 207 . 1 . 1 52 52 ALA CA C 13 49.663 0.3 . 1 . . . . . 52 ALA CA . 51828 1 208 . 1 . 1 52 52 ALA CB C 13 16.244 0.3 . 1 . . . . . 52 ALA CB . 51828 1 209 . 1 . 1 52 52 ALA N N 15 126.014 0.3 . 1 . . . . . 52 ALA N . 51828 1 210 . 1 . 1 53 53 GLU H H 1 8.221 0.020 . 1 . . . . . 53 GLU H . 51828 1 211 . 1 . 1 53 53 GLU C C 13 172.979 0.3 . 1 . . . . . 53 GLU C . 51828 1 212 . 1 . 1 53 53 GLU CA C 13 53.192 0.3 . 1 . . . . . 53 GLU CA . 51828 1 213 . 1 . 1 53 53 GLU CB C 13 27.416 0.3 . 1 . . . . . 53 GLU CB . 51828 1 214 . 1 . 1 53 53 GLU N N 15 120.003 0.3 . 1 . . . . . 53 GLU N . 51828 1 215 . 1 . 1 54 54 ALA H H 1 8.248 0.020 . 1 . . . . . 54 ALA H . 51828 1 216 . 1 . 1 54 54 ALA C C 13 172.873 0.3 . 1 . . . . . 54 ALA C . 51828 1 217 . 1 . 1 54 54 ALA CA C 13 47.703 0.3 . 1 . . . . . 54 ALA CA . 51828 1 218 . 1 . 1 54 54 ALA CB C 13 15.019 0.3 . 1 . . . . . 54 ALA CB . 51828 1 219 . 1 . 1 54 54 ALA N N 15 126.931 0.3 . 1 . . . . . 54 ALA N . 51828 1 220 . 1 . 1 56 56 SER H H 1 8.157 0.020 . 1 . . . . . 56 SER H . 51828 1 221 . 1 . 1 56 56 SER C C 13 171.685 0.3 . 1 . . . . . 56 SER C . 51828 1 222 . 1 . 1 56 56 SER CA C 13 55.548 0.3 . 1 . . . . . 56 SER CA . 51828 1 223 . 1 . 1 56 56 SER CB C 13 60.738 0.3 . 1 . . . . . 56 SER CB . 51828 1 224 . 1 . 1 56 56 SER N N 15 115.092 0.3 . 1 . . . . . 56 SER N . 51828 1 225 . 1 . 1 57 57 ALA H H 1 8.120 0.020 . 1 . . . . . 57 ALA H . 51828 1 226 . 1 . 1 57 57 ALA C C 13 174.891 0.3 . 1 . . . . . 57 ALA C . 51828 1 227 . 1 . 1 57 57 ALA CA C 13 49.761 0.3 . 1 . . . . . 57 ALA CA . 51828 1 228 . 1 . 1 57 57 ALA CB C 13 16.195 0.3 . 1 . . . . . 57 ALA CB . 51828 1 229 . 1 . 1 57 57 ALA N N 15 125.700 0.3 . 1 . . . . . 57 ALA N . 51828 1 230 . 1 . 1 58 58 ARG H H 1 8.002 0.020 . 1 . . . . . 58 ARG H . 51828 1 231 . 1 . 1 58 58 ARG C C 13 173.570 0.3 . 1 . . . . . 58 ARG C . 51828 1 232 . 1 . 1 58 58 ARG CA C 13 53.290 0.3 . 1 . . . . . 58 ARG CA . 51828 1 233 . 1 . 1 58 58 ARG CB C 13 27.710 0.3 . 1 . . . . . 58 ARG CB . 51828 1 234 . 1 . 1 58 58 ARG N N 15 119.743 0.3 . 1 . . . . . 58 ARG N . 51828 1 235 . 1 . 1 59 59 ARG H H 1 8.173 0.020 . 1 . . . . . 59 ARG H . 51828 1 236 . 1 . 1 59 59 ARG C C 13 173.256 0.3 . 1 . . . . . 59 ARG C . 51828 1 237 . 1 . 1 59 59 ARG CA C 13 53.479 0.3 . 1 . . . . . 59 ARG CA . 51828 1 238 . 1 . 1 59 59 ARG CB C 13 27.612 0.3 . 1 . . . . . 59 ARG CB . 51828 1 239 . 1 . 1 59 59 ARG N N 15 122.278 0.3 . 1 . . . . . 59 ARG N . 51828 1 240 . 1 . 1 60 60 ASN H H 1 8.359 0.020 . 1 . . . . . 60 ASN H . 51828 1 241 . 1 . 1 60 60 ASN C C 13 172.404 0.3 . 1 . . . . . 60 ASN C . 51828 1 242 . 1 . 1 60 60 ASN CA C 13 50.252 0.3 . 1 . . . . . 60 ASN CA . 51828 1 243 . 1 . 1 60 60 ASN CB C 13 35.747 0.3 . 1 . . . . . 60 ASN CB . 51828 1 244 . 1 . 1 60 60 ASN N N 15 119.975 0.3 . 1 . . . . . 60 ASN N . 51828 1 245 . 1 . 1 61 61 SER H H 1 8.167 0.020 . 1 . . . . . 61 SER H . 51828 1 246 . 1 . 1 61 61 SER C C 13 171.904 0.3 . 1 . . . . . 61 SER C . 51828 1 247 . 1 . 1 61 61 SER CA C 13 55.593 0.3 . 1 . . . . . 61 SER CA . 51828 1 248 . 1 . 1 61 61 SER CB C 13 60.787 0.3 . 1 . . . . . 61 SER CB . 51828 1 249 . 1 . 1 61 61 SER N N 15 116.201 0.3 . 1 . . . . . 61 SER N . 51828 1 250 . 1 . 1 62 62 THR H H 1 8.087 0.020 . 1 . . . . . 62 THR H . 51828 1 251 . 1 . 1 62 62 THR C C 13 171.669 0.3 . 1 . . . . . 62 THR C . 51828 1 252 . 1 . 1 62 62 THR CA C 13 59.562 0.3 . 1 . . . . . 62 THR CA . 51828 1 253 . 1 . 1 62 62 THR CB C 13 66.716 0.3 . 1 . . . . . 62 THR CB . 51828 1 254 . 1 . 1 62 62 THR N N 15 115.713 0.3 . 1 . . . . . 62 THR N . 51828 1 255 . 1 . 1 63 63 THR H H 1 7.830 0.020 . 1 . . . . . 63 THR H . 51828 1 256 . 1 . 1 63 63 THR C C 13 170.828 0.3 . 1 . . . . . 63 THR C . 51828 1 257 . 1 . 1 63 63 THR CA C 13 59.121 0.3 . 1 . . . . . 63 THR CA . 51828 1 258 . 1 . 1 63 63 THR CB C 13 66.814 0.3 . 1 . . . . . 63 THR CB . 51828 1 259 . 1 . 1 63 63 THR N N 15 116.218 0.3 . 1 . . . . . 63 THR N . 51828 1 260 . 1 . 1 64 64 PHE H H 1 8.112 0.020 . 1 . . . . . 64 PHE H . 51828 1 261 . 1 . 1 64 64 PHE C C 13 170.838 0.3 . 1 . . . . . 64 PHE C . 51828 1 262 . 1 . 1 64 64 PHE CA C 13 52.898 0.3 . 1 . . . . . 64 PHE CA . 51828 1 263 . 1 . 1 64 64 PHE CB C 13 35.992 0.3 . 1 . . . . . 64 PHE CB . 51828 1 264 . 1 . 1 64 64 PHE N N 15 123.234 0.3 . 1 . . . . . 64 PHE N . 51828 1 265 . 1 . 1 66 66 SER H H 1 8.229 0.020 . 1 . . . . . 66 SER H . 51828 1 266 . 1 . 1 66 66 SER C C 13 171.925 0.3 . 1 . . . . . 66 SER C . 51828 1 267 . 1 . 1 66 66 SER CA C 13 55.495 0.3 . 1 . . . . . 66 SER CA . 51828 1 268 . 1 . 1 66 66 SER CB C 13 60.934 0.3 . 1 . . . . . 66 SER CB . 51828 1 269 . 1 . 1 66 66 SER N N 15 115.955 0.3 . 1 . . . . . 66 SER N . 51828 1 270 . 1 . 1 67 67 ARG H H 1 8.265 0.020 . 1 . . . . . 67 ARG H . 51828 1 271 . 1 . 1 67 67 ARG C C 13 173.281 0.3 . 1 . . . . . 67 ARG C . 51828 1 272 . 1 . 1 67 67 ARG CA C 13 53.192 0.3 . 1 . . . . . 67 ARG CA . 51828 1 273 . 1 . 1 67 67 ARG CB C 13 27.759 0.3 . 1 . . . . . 67 ARG CB . 51828 1 274 . 1 . 1 67 67 ARG N N 15 122.712 0.3 . 1 . . . . . 67 ARG N . 51828 1 275 . 1 . 1 68 68 HIS H H 1 8.230 0.020 . 1 . . . . . 68 HIS H . 51828 1 276 . 1 . 1 68 68 HIS C C 13 172.441 0.3 . 1 . . . . . 68 HIS C . 51828 1 277 . 1 . 1 68 68 HIS CA C 13 53.050 0.3 . 1 . . . . . 68 HIS CA . 51828 1 278 . 1 . 1 68 68 HIS CB C 13 26.681 0.3 . 1 . . . . . 68 HIS CB . 51828 1 279 . 1 . 1 68 68 HIS N N 15 119.510 0.3 . 1 . . . . . 68 HIS N . 51828 1 280 . 1 . 1 69 69 GLY H H 1 8.226 0.020 . 1 . . . . . 69 GLY H . 51828 1 281 . 1 . 1 69 69 GLY C C 13 170.918 0.3 . 1 . . . . . 69 GLY C . 51828 1 282 . 1 . 1 69 69 GLY CA C 13 42.313 0.3 . 1 . . . . . 69 GLY CA . 51828 1 283 . 1 . 1 69 69 GLY N N 15 109.845 0.3 . 1 . . . . . 69 GLY N . 51828 1 284 . 1 . 1 70 70 LEU H H 1 7.906 0.020 . 1 . . . . . 70 LEU H . 51828 1 285 . 1 . 1 70 70 LEU C C 13 174.151 0.3 . 1 . . . . . 70 LEU C . 51828 1 286 . 1 . 1 70 70 LEU CA C 13 52.212 0.3 . 1 . . . . . 70 LEU CA . 51828 1 287 . 1 . 1 70 70 LEU CB C 13 39.373 0.3 . 1 . . . . . 70 LEU CB . 51828 1 288 . 1 . 1 70 70 LEU N N 15 121.456 0.3 . 1 . . . . . 70 LEU N . 51828 1 289 . 1 . 1 71 71 LEU H H 1 8.095 0.020 . 1 . . . . . 71 LEU H . 51828 1 290 . 1 . 1 71 71 LEU C C 13 173.837 0.3 . 1 . . . . . 71 LEU C . 51828 1 291 . 1 . 1 71 71 LEU CA C 13 51.918 0.3 . 1 . . . . . 71 LEU CA . 51828 1 292 . 1 . 1 71 71 LEU CB C 13 39.226 0.3 . 1 . . . . . 71 LEU CB . 51828 1 293 . 1 . 1 71 71 LEU N N 15 123.330 0.3 . 1 . . . . . 71 LEU N . 51828 1 294 . 1 . 1 72 72 LEU H H 1 8.045 0.020 . 1 . . . . . 72 LEU H . 51828 1 295 . 1 . 1 72 72 LEU C C 13 172.101 0.3 . 1 . . . . . 72 LEU C . 51828 1 296 . 1 . 1 72 72 LEU CA C 13 49.908 0.3 . 1 . . . . . 72 LEU CA . 51828 1 297 . 1 . 1 72 72 LEU CB C 13 38.736 0.3 . 1 . . . . . 72 LEU CB . 51828 1 298 . 1 . 1 72 72 LEU N N 15 124.885 0.3 . 1 . . . . . 72 LEU N . 51828 1 299 . 1 . 1 74 74 ALA H H 1 8.236 0.020 . 1 . . . . . 74 ALA H . 51828 1 300 . 1 . 1 74 74 ALA C C 13 174.763 0.3 . 1 . . . . . 74 ALA C . 51828 1 301 . 1 . 1 74 74 ALA CA C 13 49.614 0.3 . 1 . . . . . 74 ALA CA . 51828 1 302 . 1 . 1 74 74 ALA CB C 13 16.146 0.3 . 1 . . . . . 74 ALA CB . 51828 1 303 . 1 . 1 74 74 ALA N N 15 124.275 0.3 . 1 . . . . . 74 ALA N . 51828 1 304 . 1 . 1 75 75 SER H H 1 8.147 0.020 . 1 . . . . . 75 SER H . 51828 1 305 . 1 . 1 75 75 SER C C 13 169.858 0.3 . 1 . . . . . 75 SER C . 51828 1 306 . 1 . 1 75 75 SER CA C 13 53.535 0.3 . 1 . . . . . 75 SER CA . 51828 1 307 . 1 . 1 75 75 SER CB C 13 60.346 0.3 . 1 . . . . . 75 SER CB . 51828 1 308 . 1 . 1 75 75 SER N N 15 116.623 0.3 . 1 . . . . . 75 SER N . 51828 1 309 . 1 . 1 77 77 VAL H H 1 8.027 0.020 . 1 . . . . . 77 VAL H . 51828 1 310 . 1 . 1 77 77 VAL C C 13 173.331 0.3 . 1 . . . . . 77 VAL C . 51828 1 311 . 1 . 1 77 77 VAL CA C 13 59.562 0.3 . 1 . . . . . 77 VAL CA . 51828 1 312 . 1 . 1 77 77 VAL CB C 13 29.425 0.3 . 1 . . . . . 77 VAL CB . 51828 1 313 . 1 . 1 77 77 VAL N N 15 120.728 0.3 . 1 . . . . . 77 VAL N . 51828 1 314 . 1 . 1 78 78 ARG H H 1 8.227 0.020 . 1 . . . . . 78 ARG H . 51828 1 315 . 1 . 1 78 78 ARG C C 13 173.235 0.3 . 1 . . . . . 78 ARG C . 51828 1 316 . 1 . 1 78 78 ARG CA C 13 52.849 0.3 . 1 . . . . . 78 ARG CA . 51828 1 317 . 1 . 1 78 78 ARG CB C 13 27.759 0.3 . 1 . . . . . 78 ARG CB . 51828 1 318 . 1 . 1 78 78 ARG N N 15 125.208 0.3 . 1 . . . . . 78 ARG N . 51828 1 319 . 1 . 1 79 79 MET H H 1 8.277 0.020 . 1 . . . . . 79 MET H . 51828 1 320 . 1 . 1 79 79 MET C C 13 173.187 0.3 . 1 . . . . . 79 MET C . 51828 1 321 . 1 . 1 79 79 MET CA C 13 52.506 0.3 . 1 . . . . . 79 MET CA . 51828 1 322 . 1 . 1 79 79 MET CB C 13 29.964 0.3 . 1 . . . . . 79 MET CB . 51828 1 323 . 1 . 1 79 79 MET N N 15 122.058 0.3 . 1 . . . . . 79 MET N . 51828 1 324 . 1 . 1 80 80 HIS H H 1 8.345 0.020 . 1 . . . . . 80 HIS H . 51828 1 325 . 1 . 1 80 80 HIS C C 13 172.212 0.3 . 1 . . . . . 80 HIS C . 51828 1 326 . 1 . 1 80 80 HIS CA C 13 53.094 0.3 . 1 . . . . . 80 HIS CA . 51828 1 327 . 1 . 1 80 80 HIS CB C 13 27.122 0.3 . 1 . . . . . 80 HIS CB . 51828 1 328 . 1 . 1 80 80 HIS N N 15 120.517 0.3 . 1 . . . . . 80 HIS N . 51828 1 329 . 1 . 1 81 81 SER H H 1 8.252 0.020 . 1 . . . . . 81 SER H . 51828 1 330 . 1 . 1 81 81 SER CA C 13 55.642 0.3 . 1 . . . . . 81 SER CA . 51828 1 331 . 1 . 1 81 81 SER CB C 13 60.640 0.3 . 1 . . . . . 81 SER CB . 51828 1 332 . 1 . 1 81 81 SER N N 15 117.423 0.3 . 1 . . . . . 81 SER N . 51828 1 333 . 1 . 1 82 82 SER H H 1 8.398 0.020 . 1 . . . . . 82 SER H . 51828 1 334 . 1 . 1 82 82 SER C C 13 171.834 0.3 . 1 . . . . . 82 SER C . 51828 1 335 . 1 . 1 82 82 SER CA C 13 55.691 0.3 . 1 . . . . . 82 SER CA . 51828 1 336 . 1 . 1 82 82 SER CB C 13 60.787 0.3 . 1 . . . . . 82 SER CB . 51828 1 337 . 1 . 1 82 82 SER N N 15 118.377 0.3 . 1 . . . . . 82 SER N . 51828 1 338 . 1 . 1 83 83 ARG H H 1 8.174 0.020 . 1 . . . . . 83 ARG H . 51828 1 339 . 1 . 1 83 83 ARG C C 13 173.507 0.3 . 1 . . . . . 83 ARG C . 51828 1 340 . 1 . 1 83 83 ARG CA C 13 53.486 0.3 . 1 . . . . . 83 ARG CA . 51828 1 341 . 1 . 1 83 83 ARG CB C 13 27.661 0.3 . 1 . . . . . 83 ARG CB . 51828 1 342 . 1 . 1 83 83 ARG N N 15 122.744 0.3 . 1 . . . . . 83 ARG N . 51828 1 343 . 1 . 1 84 84 LEU H H 1 7.928 0.020 . 1 . . . . . 84 LEU H . 51828 1 344 . 1 . 1 84 84 LEU C C 13 174.343 0.3 . 1 . . . . . 84 LEU C . 51828 1 345 . 1 . 1 84 84 LEU CA C 13 52.457 0.3 . 1 . . . . . 84 LEU CA . 51828 1 346 . 1 . 1 84 84 LEU CB C 13 39.128 0.3 . 1 . . . . . 84 LEU CB . 51828 1 347 . 1 . 1 84 84 LEU N N 15 121.829 0.3 . 1 . . . . . 84 LEU N . 51828 1 348 . 1 . 1 85 85 HIS H H 1 8.147 0.020 . 1 . . . . . 85 HIS H . 51828 1 349 . 1 . 1 85 85 HIS C C 13 171.749 0.3 . 1 . . . . . 85 HIS C . 51828 1 350 . 1 . 1 85 85 HIS CA C 13 52.702 0.3 . 1 . . . . . 85 HIS CA . 51828 1 351 . 1 . 1 85 85 HIS CB C 13 26.485 0.3 . 1 . . . . . 85 HIS CB . 51828 1 352 . 1 . 1 85 85 HIS N N 15 118.872 0.3 . 1 . . . . . 85 HIS N . 51828 1 353 . 1 . 1 86 86 GLN H H 1 8.125 0.020 . 1 . . . . . 86 GLN H . 51828 1 354 . 1 . 1 86 86 GLN C C 13 172.947 0.3 . 1 . . . . . 86 GLN C . 51828 1 355 . 1 . 1 86 86 GLN CA C 13 53.192 0.3 . 1 . . . . . 86 GLN CA . 51828 1 356 . 1 . 1 86 86 GLN CB C 13 26.632 0.3 . 1 . . . . . 86 GLN CB . 51828 1 357 . 1 . 1 86 86 GLN N N 15 121.582 0.3 . 1 . . . . . 86 GLN N . 51828 1 358 . 1 . 1 87 87 ILE H H 1 8.107 0.020 . 1 . . . . . 87 ILE H . 51828 1 359 . 1 . 1 87 87 ILE C C 13 173.368 0.3 . 1 . . . . . 87 ILE C . 51828 1 360 . 1 . 1 87 87 ILE CA C 13 58.533 0.3 . 1 . . . . . 87 ILE CA . 51828 1 361 . 1 . 1 87 87 ILE CB C 13 35.698 0.3 . 1 . . . . . 87 ILE CB . 51828 1 362 . 1 . 1 87 87 ILE N N 15 122.579 0.3 . 1 . . . . . 87 ILE N . 51828 1 363 . 1 . 1 88 88 LYS H H 1 8.241 0.020 . 1 . . . . . 88 LYS H . 51828 1 364 . 1 . 1 88 88 LYS C C 13 173.533 0.3 . 1 . . . . . 88 LYS C . 51828 1 365 . 1 . 1 88 88 LYS CA C 13 53.486 0.3 . 1 . . . . . 88 LYS CA . 51828 1 366 . 1 . 1 88 88 LYS CB C 13 29.964 0.3 . 1 . . . . . 88 LYS CB . 51828 1 367 . 1 . 1 88 88 LYS N N 15 125.625 0.3 . 1 . . . . . 88 LYS N . 51828 1 368 . 1 . 1 89 89 GLN H H 1 8.331 0.020 . 1 . . . . . 89 GLN H . 51828 1 369 . 1 . 1 89 89 GLN C C 13 173.139 0.3 . 1 . . . . . 89 GLN C . 51828 1 370 . 1 . 1 89 89 GLN CA C 13 53.241 0.3 . 1 . . . . . 89 GLN CA . 51828 1 371 . 1 . 1 89 89 GLN CB C 13 26.436 0.3 . 1 . . . . . 89 GLN CB . 51828 1 372 . 1 . 1 89 89 GLN N N 15 122.751 0.3 . 1 . . . . . 89 GLN N . 51828 1 373 . 1 . 1 90 90 GLU H H 1 8.344 0.020 . 1 . . . . . 90 GLU H . 51828 1 374 . 1 . 1 90 90 GLU C C 13 173.640 0.3 . 1 . . . . . 90 GLU C . 51828 1 375 . 1 . 1 90 90 GLU CA C 13 53.633 0.3 . 1 . . . . . 90 GLU CA . 51828 1 376 . 1 . 1 90 90 GLU CB C 13 27.220 0.3 . 1 . . . . . 90 GLU CB . 51828 1 377 . 1 . 1 90 90 GLU N N 15 122.314 0.3 . 1 . . . . . 90 GLU N . 51828 1 378 . 1 . 1 91 91 GLU H H 1 8.332 0.020 . 1 . . . . . 91 GLU H . 51828 1 379 . 1 . 1 91 91 GLU C C 13 174.284 0.3 . 1 . . . . . 91 GLU C . 51828 1 380 . 1 . 1 91 91 GLU CA C 13 53.731 0.3 . 1 . . . . . 91 GLU CA . 51828 1 381 . 1 . 1 91 91 GLU CB C 13 27.220 0.3 . 1 . . . . . 91 GLU CB . 51828 1 382 . 1 . 1 91 91 GLU N N 15 122.048 0.3 . 1 . . . . . 91 GLU N . 51828 1 383 . 1 . 1 92 92 GLY H H 1 8.370 0.020 . 1 . . . . . 92 GLY H . 51828 1 384 . 1 . 1 92 92 GLY C C 13 171.728 0.3 . 1 . . . . . 92 GLY C . 51828 1 385 . 1 . 1 92 92 GLY CA C 13 42.607 0.3 . 1 . . . . . 92 GLY CA . 51828 1 386 . 1 . 1 92 92 GLY N N 15 109.821 0.3 . 1 . . . . . 92 GLY N . 51828 1 387 . 1 . 1 93 93 MET H H 1 7.966 0.020 . 1 . . . . . 93 MET H . 51828 1 388 . 1 . 1 93 93 MET C C 13 173.246 0.3 . 1 . . . . . 93 MET C . 51828 1 389 . 1 . 1 93 93 MET CA C 13 52.702 0.3 . 1 . . . . . 93 MET CA . 51828 1 390 . 1 . 1 93 93 MET CB C 13 29.817 0.3 . 1 . . . . . 93 MET CB . 51828 1 391 . 1 . 1 93 93 MET N N 15 119.463 0.3 . 1 . . . . . 93 MET N . 51828 1 392 . 1 . 1 94 94 ASP H H 1 8.276 0.020 . 1 . . . . . 94 ASP H . 51828 1 393 . 1 . 1 94 94 ASP C C 13 173.389 0.3 . 1 . . . . . 94 ASP C . 51828 1 394 . 1 . 1 94 94 ASP CA C 13 51.869 0.3 . 1 . . . . . 94 ASP CA . 51828 1 395 . 1 . 1 94 94 ASP CB C 13 37.756 0.3 . 1 . . . . . 94 ASP CB . 51828 1 396 . 1 . 1 94 94 ASP N N 15 120.697 0.3 . 1 . . . . . 94 ASP N . 51828 1 397 . 1 . 1 95 95 LEU H H 1 7.926 0.020 . 1 . . . . . 95 LEU H . 51828 1 398 . 1 . 1 95 95 LEU C C 13 174.849 0.3 . 1 . . . . . 95 LEU C . 51828 1 399 . 1 . 1 95 95 LEU CA C 13 52.457 0.3 . 1 . . . . . 95 LEU CA . 51828 1 400 . 1 . 1 95 95 LEU CB C 13 39.128 0.3 . 1 . . . . . 95 LEU CB . 51828 1 401 . 1 . 1 95 95 LEU N N 15 121.654 0.3 . 1 . . . . . 95 LEU N . 51828 1 402 . 1 . 1 96 96 ILE H H 1 7.783 0.020 . 1 . . . . . 96 ILE H . 51828 1 403 . 1 . 1 96 96 ILE C C 13 173.336 0.3 . 1 . . . . . 96 ILE C . 51828 1 404 . 1 . 1 96 96 ILE CA C 13 58.680 0.3 . 1 . . . . . 96 ILE CA . 51828 1 405 . 1 . 1 96 96 ILE CB C 13 35.453 0.3 . 1 . . . . . 96 ILE CB . 51828 1 406 . 1 . 1 96 96 ILE N N 15 120.526 0.3 . 1 . . . . . 96 ILE N . 51828 1 407 . 1 . 1 97 97 ASN H H 1 8.253 0.020 . 1 . . . . . 97 ASN H . 51828 1 408 . 1 . 1 97 97 ASN C C 13 172.457 0.3 . 1 . . . . . 97 ASN C . 51828 1 409 . 1 . 1 97 97 ASN CA C 13 50.448 0.3 . 1 . . . . . 97 ASN CA . 51828 1 410 . 1 . 1 97 97 ASN CB C 13 35.600 0.3 . 1 . . . . . 97 ASN CB . 51828 1 411 . 1 . 1 97 97 ASN N N 15 121.815 0.3 . 1 . . . . . 97 ASN N . 51828 1 412 . 1 . 1 98 98 ARG H H 1 8.134 0.020 . 1 . . . . . 98 ARG H . 51828 1 413 . 1 . 1 98 98 ARG C C 13 173.762 0.3 . 1 . . . . . 98 ARG C . 51828 1 414 . 1 . 1 98 98 ARG CA C 13 53.339 0.3 . 1 . . . . . 98 ARG CA . 51828 1 415 . 1 . 1 98 98 ARG CB C 13 27.465 0.3 . 1 . . . . . 98 ARG CB . 51828 1 416 . 1 . 1 98 98 ARG N N 15 121.650 0.3 . 1 . . . . . 98 ARG N . 51828 1 417 . 1 . 1 99 99 GLU H H 1 8.247 0.020 . 1 . . . . . 99 GLU H . 51828 1 418 . 1 . 1 99 99 GLU C C 13 174.092 0.3 . 1 . . . . . 99 GLU C . 51828 1 419 . 1 . 1 99 99 GLU CA C 13 54.025 0.3 . 1 . . . . . 99 GLU CA . 51828 1 420 . 1 . 1 99 99 GLU CB C 13 27.122 0.3 . 1 . . . . . 99 GLU CB . 51828 1 421 . 1 . 1 99 99 GLU N N 15 121.011 0.3 . 1 . . . . . 99 GLU N . 51828 1 422 . 1 . 1 100 100 THR H H 1 8.004 0.020 . 1 . . . . . 100 THR H . 51828 1 423 . 1 . 1 100 100 THR C C 13 171.840 0.3 . 1 . . . . . 100 THR C . 51828 1 424 . 1 . 1 100 100 THR CA C 13 59.562 0.3 . 1 . . . . . 100 THR CA . 51828 1 425 . 1 . 1 100 100 THR CB C 13 66.765 0.3 . 1 . . . . . 100 THR CB . 51828 1 426 . 1 . 1 100 100 THR N N 15 115.593 0.3 . 1 . . . . . 100 THR N . 51828 1 427 . 1 . 1 101 101 VAL H H 1 7.962 0.020 . 1 . . . . . 101 VAL H . 51828 1 428 . 1 . 1 101 101 VAL C C 13 173.417 0.3 . 1 . . . . . 101 VAL C . 51828 1 429 . 1 . 1 101 101 VAL CA C 13 60.356 0.3 . 1 . . . . . 101 VAL CA . 51828 1 430 . 1 . 1 101 101 VAL CB C 13 29.327 0.3 . 1 . . . . . 101 VAL CB . 51828 1 431 . 1 . 1 101 101 VAL N N 15 122.705 0.3 . 1 . . . . . 101 VAL N . 51828 1 432 . 1 . 1 103 103 GLU H H 1 8.274 0.020 . 1 . . . . . 103 GLU H . 51828 1 433 . 1 . 1 103 103 GLU C C 13 173.959 0.3 . 1 . . . . . 103 GLU C . 51828 1 434 . 1 . 1 103 103 GLU CA C 13 53.927 0.3 . 1 . . . . . 103 GLU CA . 51828 1 435 . 1 . 1 103 103 GLU CB C 13 27.024 0.3 . 1 . . . . . 103 GLU CB . 51828 1 436 . 1 . 1 103 103 GLU N N 15 121.862 0.3 . 1 . . . . . 103 GLU N . 51828 1 437 . 1 . 1 104 104 ARG H H 1 8.177 0.020 . 1 . . . . . 104 ARG H . 51828 1 438 . 1 . 1 104 104 ARG C C 13 173.954 0.3 . 1 . . . . . 104 ARG C . 51828 1 439 . 1 . 1 104 104 ARG CA C 13 53.927 0.3 . 1 . . . . . 104 ARG CA . 51828 1 440 . 1 . 1 104 104 ARG CB C 13 27.514 0.3 . 1 . . . . . 104 ARG CB . 51828 1 441 . 1 . 1 104 104 ARG N N 15 121.171 0.3 . 1 . . . . . 104 ARG N . 51828 1 442 . 1 . 1 105 105 GLU H H 1 8.214 0.020 . 1 . . . . . 105 GLU H . 51828 1 443 . 1 . 1 105 105 GLU C C 13 174.204 0.3 . 1 . . . . . 105 GLU C . 51828 1 444 . 1 . 1 105 105 GLU CA C 13 53.927 0.3 . 1 . . . . . 105 GLU CA . 51828 1 445 . 1 . 1 105 105 GLU CB C 13 27.514 0.3 . 1 . . . . . 105 GLU CB . 51828 1 446 . 1 . 1 105 105 GLU N N 15 121.964 0.3 . 1 . . . . . 105 GLU N . 51828 1 447 . 1 . 1 106 106 VAL H H 1 8.024 0.020 . 1 . . . . . 106 VAL H . 51828 1 448 . 1 . 1 106 106 VAL C C 13 173.783 0.3 . 1 . . . . . 106 VAL C . 51828 1 449 . 1 . 1 106 106 VAL CA C 13 60.199 0.3 . 1 . . . . . 106 VAL CA . 51828 1 450 . 1 . 1 106 106 VAL CB C 13 29.572 0.3 . 1 . . . . . 106 VAL CB . 51828 1 451 . 1 . 1 106 106 VAL N N 15 121.607 0.3 . 1 . . . . . 106 VAL N . 51828 1 452 . 1 . 1 107 107 GLN H H 1 8.240 0.020 . 1 . . . . . 107 GLN H . 51828 1 453 . 1 . 1 107 107 GLN C C 13 173.837 0.3 . 1 . . . . . 107 GLN C . 51828 1 454 . 1 . 1 107 107 GLN CA C 13 53.339 0.3 . 1 . . . . . 107 GLN CA . 51828 1 455 . 1 . 1 107 107 GLN CB C 13 26.338 0.3 . 1 . . . . . 107 GLN CB . 51828 1 456 . 1 . 1 107 107 GLN N N 15 123.346 0.3 . 1 . . . . . 107 GLN N . 51828 1 457 . 1 . 1 108 108 THR H H 1 8.095 0.020 . 1 . . . . . 108 THR H . 51828 1 458 . 1 . 1 108 108 THR C C 13 171.792 0.3 . 1 . . . . . 108 THR C . 51828 1 459 . 1 . 1 108 108 THR CA C 13 59.555 0.3 . 1 . . . . . 108 THR CA . 51828 1 460 . 1 . 1 108 108 THR CB C 13 66.716 0.3 . 1 . . . . . 108 THR CB . 51828 1 461 . 1 . 1 108 108 THR N N 15 115.819 0.3 . 1 . . . . . 108 THR N . 51828 1 462 . 1 . 1 109 109 ALA H H 1 8.113 0.020 . 1 . . . . . 109 ALA H . 51828 1 463 . 1 . 1 109 109 ALA C C 13 175.387 0.3 . 1 . . . . . 109 ALA C . 51828 1 464 . 1 . 1 109 109 ALA CA C 13 50.203 0.3 . 1 . . . . . 109 ALA CA . 51828 1 465 . 1 . 1 109 109 ALA CB C 13 15.803 0.3 . 1 . . . . . 109 ALA CB . 51828 1 466 . 1 . 1 109 109 ALA N N 15 125.278 0.3 . 1 . . . . . 109 ALA N . 51828 1 467 . 1 . 1 110 110 MET H H 1 8.038 0.020 . 1 . . . . . 110 MET H . 51828 1 468 . 1 . 1 110 110 MET C C 13 173.656 0.3 . 1 . . . . . 110 MET C . 51828 1 469 . 1 . 1 110 110 MET CA C 13 53.143 0.3 . 1 . . . . . 110 MET CA . 51828 1 470 . 1 . 1 110 110 MET CB C 13 29.817 0.3 . 1 . . . . . 110 MET CB . 51828 1 471 . 1 . 1 110 110 MET N N 15 118.678 0.3 . 1 . . . . . 110 MET N . 51828 1 472 . 1 . 1 111 111 GLN H H 1 8.032 0.020 . 1 . . . . . 111 GLN H . 51828 1 473 . 1 . 1 111 111 GLN C C 13 173.368 0.3 . 1 . . . . . 111 GLN C . 51828 1 474 . 1 . 1 111 111 GLN CA C 13 53.241 0.3 . 1 . . . . . 111 GLN CA . 51828 1 475 . 1 . 1 111 111 GLN CB C 13 26.191 0.3 . 1 . . . . . 111 GLN CB . 51828 1 476 . 1 . 1 111 111 GLN N N 15 121.201 0.3 . 1 . . . . . 111 GLN N . 51828 1 477 . 1 . 1 112 112 ILE H H 1 7.989 0.020 . 1 . . . . . 112 ILE H . 51828 1 478 . 1 . 1 112 112 ILE C C 13 173.464 0.3 . 1 . . . . . 112 ILE C . 51828 1 479 . 1 . 1 112 112 ILE CA C 13 58.631 0.3 . 1 . . . . . 112 ILE CA . 51828 1 480 . 1 . 1 112 112 ILE CB C 13 35.600 0.3 . 1 . . . . . 112 ILE CB . 51828 1 481 . 1 . 1 112 112 ILE N N 15 121.824 0.3 . 1 . . . . . 112 ILE N . 51828 1 482 . 1 . 1 113 113 SER H H 1 8.102 0.020 . 1 . . . . . 113 SER H . 51828 1 483 . 1 . 1 113 113 SER C C 13 171.504 0.3 . 1 . . . . . 113 SER C . 51828 1 484 . 1 . 1 113 113 SER CA C 13 55.495 0.3 . 1 . . . . . 113 SER CA . 51828 1 485 . 1 . 1 113 113 SER CB C 13 60.738 0.3 . 1 . . . . . 113 SER CB . 51828 1 486 . 1 . 1 113 113 SER N N 15 118.974 0.3 . 1 . . . . . 113 SER N . 51828 1 487 . 1 . 1 114 114 HIS H H 1 8.233 0.020 . 1 . . . . . 114 HIS H . 51828 1 488 . 1 . 1 114 114 HIS C C 13 171.957 0.3 . 1 . . . . . 114 HIS C . 51828 1 489 . 1 . 1 114 114 HIS CA C 13 52.491 0.3 . 1 . . . . . 114 HIS CA . 51828 1 490 . 1 . 1 114 114 HIS CB C 13 26.338 0.3 . 1 . . . . . 114 HIS CB . 51828 1 491 . 1 . 1 114 114 HIS N N 15 120.550 0.3 . 1 . . . . . 114 HIS N . 51828 1 492 . 1 . 1 115 115 SER H H 1 8.174 0.020 . 1 . . . . . 115 SER H . 51828 1 493 . 1 . 1 115 115 SER C C 13 171.717 0.3 . 1 . . . . . 115 SER C . 51828 1 494 . 1 . 1 115 115 SER CA C 13 55.985 0.3 . 1 . . . . . 115 SER CA . 51828 1 495 . 1 . 1 115 115 SER CB C 13 60.493 0.3 . 1 . . . . . 115 SER CB . 51828 1 496 . 1 . 1 115 115 SER N N 15 116.957 0.3 . 1 . . . . . 115 SER N . 51828 1 497 . 1 . 1 116 116 TRP H H 1 7.902 0.020 . 1 . . . . . 116 TRP H . 51828 1 498 . 1 . 1 116 116 TRP C C 13 173.496 0.3 . 1 . . . . . 116 TRP C . 51828 1 499 . 1 . 1 116 116 TRP CA C 13 55.103 0.3 . 1 . . . . . 116 TRP CA . 51828 1 500 . 1 . 1 116 116 TRP CB C 13 26.093 0.3 . 1 . . . . . 116 TRP CB . 51828 1 501 . 1 . 1 116 116 TRP N N 15 122.389 0.3 . 1 . . . . . 116 TRP N . 51828 1 502 . 1 . 1 117 117 GLU H H 1 7.857 0.020 . 1 . . . . . 117 GLU H . 51828 1 503 . 1 . 1 117 117 GLU C C 13 173.554 0.3 . 1 . . . . . 117 GLU C . 51828 1 504 . 1 . 1 117 117 GLU CA C 13 53.829 0.3 . 1 . . . . . 117 GLU CA . 51828 1 505 . 1 . 1 117 117 GLU CB C 13 27.220 0.3 . 1 . . . . . 117 GLU CB . 51828 1 506 . 1 . 1 117 117 GLU N N 15 121.517 0.3 . 1 . . . . . 117 GLU N . 51828 1 507 . 1 . 1 118 118 GLU H H 1 7.960 0.020 . 1 . . . . . 118 GLU H . 51828 1 508 . 1 . 1 118 118 GLU C C 13 173.650 0.3 . 1 . . . . . 118 GLU C . 51828 1 509 . 1 . 1 118 118 GLU CA C 13 53.878 0.3 . 1 . . . . . 118 GLU CA . 51828 1 510 . 1 . 1 118 118 GLU CB C 13 27.171 0.3 . 1 . . . . . 118 GLU CB . 51828 1 511 . 1 . 1 118 118 GLU N N 15 121.054 0.3 . 1 . . . . . 118 GLU N . 51828 1 512 . 1 . 1 119 119 SER H H 1 7.991 0.020 . 1 . . . . . 119 SER H . 51828 1 513 . 1 . 1 119 119 SER C C 13 171.323 0.3 . 1 . . . . . 119 SER C . 51828 1 514 . 1 . 1 119 119 SER CA C 13 55.495 0.3 . 1 . . . . . 119 SER CA . 51828 1 515 . 1 . 1 119 119 SER CB C 13 60.738 0.3 . 1 . . . . . 119 SER CB . 51828 1 516 . 1 . 1 119 119 SER N N 15 115.971 0.3 . 1 . . . . . 119 SER N . 51828 1 517 . 1 . 1 120 120 PHE H H 1 7.928 0.020 . 1 . . . . . 120 PHE H . 51828 1 518 . 1 . 1 120 120 PHE C C 13 172.713 0.3 . 1 . . . . . 120 PHE C . 51828 1 519 . 1 . 1 120 120 PHE CA C 13 55.103 0.3 . 1 . . . . . 120 PHE CA . 51828 1 520 . 1 . 1 120 120 PHE CB C 13 36.580 0.3 . 1 . . . . . 120 PHE CB . 51828 1 521 . 1 . 1 120 120 PHE N N 15 121.994 0.3 . 1 . . . . . 120 PHE N . 51828 1 522 . 1 . 1 121 121 SER H H 1 7.979 0.020 . 1 . . . . . 121 SER H . 51828 1 523 . 1 . 1 121 121 SER C C 13 171.387 0.3 . 1 . . . . . 121 SER C . 51828 1 524 . 1 . 1 121 121 SER CA C 13 55.063 0.3 . 1 . . . . . 121 SER CA . 51828 1 525 . 1 . 1 121 121 SER CB C 13 60.983 0.3 . 1 . . . . . 121 SER CB . 51828 1 526 . 1 . 1 121 121 SER N N 15 117.151 0.3 . 1 . . . . . 121 SER N . 51828 1 527 . 1 . 1 122 122 LEU H H 1 8.143 0.020 . 1 . . . . . 122 LEU H . 51828 1 528 . 1 . 1 122 122 LEU C C 13 174.620 0.3 . 1 . . . . . 122 LEU C . 51828 1 529 . 1 . 1 122 122 LEU CA C 13 52.261 0.3 . 1 . . . . . 122 LEU CA . 51828 1 530 . 1 . 1 122 122 LEU CB C 13 39.275 0.3 . 1 . . . . . 122 LEU CB . 51828 1 531 . 1 . 1 122 122 LEU N N 15 124.410 0.3 . 1 . . . . . 122 LEU N . 51828 1 532 . 1 . 1 123 123 SER H H 1 8.108 0.020 . 1 . . . . . 123 SER H . 51828 1 533 . 1 . 1 123 123 SER C C 13 171.448 0.3 . 1 . . . . . 123 SER C . 51828 1 534 . 1 . 1 123 123 SER CA C 13 55.299 0.3 . 1 . . . . . 123 SER CA . 51828 1 535 . 1 . 1 123 123 SER CB C 13 61.081 0.3 . 1 . . . . . 123 SER CB . 51828 1 536 . 1 . 1 123 123 SER N N 15 116.029 0.3 . 1 . . . . . 123 SER N . 51828 1 537 . 1 . 1 124 124 ASP H H 1 8.161 0.020 . 1 . . . . . 124 ASP H . 51828 1 538 . 1 . 1 124 124 ASP C C 13 172.985 0.3 . 1 . . . . . 124 ASP C . 51828 1 539 . 1 . 1 124 124 ASP CA C 13 51.634 0.3 . 1 . . . . . 124 ASP CA . 51828 1 540 . 1 . 1 124 124 ASP CB C 13 38.050 0.3 . 1 . . . . . 124 ASP CB . 51828 1 541 . 1 . 1 124 124 ASP N N 15 122.138 0.3 . 1 . . . . . 124 ASP N . 51828 1 542 . 1 . 1 125 125 ASN H H 1 8.114 0.020 . 1 . . . . . 125 ASN H . 51828 1 543 . 1 . 1 125 125 ASN C C 13 171.254 0.3 . 1 . . . . . 125 ASN C . 51828 1 544 . 1 . 1 125 125 ASN CA C 13 50.154 0.3 . 1 . . . . . 125 ASN CA . 51828 1 545 . 1 . 1 125 125 ASN CB C 13 36.531 0.3 . 1 . . . . . 125 ASN CB . 51828 1 546 . 1 . 1 125 125 ASN N N 15 118.446 0.3 . 1 . . . . . 125 ASN N . 51828 1 547 . 1 . 1 126 126 ASP H H 1 7.764 0.020 . 1 . . . . . 126 ASP H . 51828 1 548 . 1 . 1 126 126 ASP C C 13 171.243 0.3 . 1 . . . . . 126 ASP C . 51828 1 549 . 1 . 1 126 126 ASP CA C 13 53.241 0.3 . 1 . . . . . 126 ASP CA . 51828 1 550 . 1 . 1 126 126 ASP CB C 13 38.981 0.3 . 1 . . . . . 126 ASP CB . 51828 1 551 . 1 . 1 126 126 ASP N N 15 125.890 0.3 . 1 . . . . . 126 ASP N . 51828 1 stop_ save_