data_50017 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50017 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the hnRNPA1 LCD (deltaHexa construct) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-09-13 _Entry.Accession_date 2019-09-13 _Entry.Last_release_date 2019-09-13 _Entry.Original_release_date 2019-09-13 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.1.31 _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 1 _Entry.Generated_software_label $software_1 _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 Ivan Peran . . . . 50017 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . "St. Jude Children's Research Hospital, Department of Structural Biology" . 50017 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50017 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 325 50017 '15N chemical shifts' 125 50017 '1H chemical shifts' 125 50017 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 . . 2020-05-20 . original BMRB . 50017 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50017 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32029630 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Valence and Patterning of Aromatic Residues Determine the Phase Behavior of Prion-Like Domains ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Science _Citation.Journal_name_full 'Science (New York, N.Y.)' _Citation.Journal_volume 367 _Citation.Journal_issue 6478 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1095-9203 _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 694 _Citation.Page_last 699 _Citation.Year 2020 _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 Erik Martin . W. . . 50017 1 2 Alex Holehouse . S. . . 50017 1 3 Ivan Peran . . . . 50017 1 4 Mina Farag . . . . 50017 1 5 'J. Jeremias' Incicco . . . . 50017 1 6 Anne Bremer . . . . 50017 1 7 Christy Grace . R. . . 50017 1 8 Andrea Soranno . . . . 50017 1 9 Rohit Pappu . V. . . 50017 1 10 Tanja Mittag . . . . 50017 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50017 _Assembly.ID 1 _Assembly.Name 'Intrinsically disordered low complexity region of the hnRNPA1 protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Low complexity region (LCD)' 1 $entity_1 . . yes native no no . . . 50017 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50017 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'A1 LCD (deltahexa)' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSMASASSSQRGRSGSGNFG GGRGGGFGGNDNFGRGGNFS GRGGFGGSRGGGGYGGSGDG YNGFGNDGSNFGGGGNYNNQ SSNFGPMKGGNFGGRSSGPY GGGGQYFAKPRNQGGYGGSS SSSSYGSGRRF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'G1 to F131' _Entity.Polymer_author_seq_details . _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 131 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 50017 1 2 . SER . 50017 1 3 . MET . 50017 1 4 . ALA . 50017 1 5 . SER . 50017 1 6 . ALA . 50017 1 7 . SER . 50017 1 8 . SER . 50017 1 9 . SER . 50017 1 10 . GLN . 50017 1 11 . ARG . 50017 1 12 . GLY . 50017 1 13 . ARG . 50017 1 14 . SER . 50017 1 15 . GLY . 50017 1 16 . SER . 50017 1 17 . GLY . 50017 1 18 . ASN . 50017 1 19 . PHE . 50017 1 20 . GLY . 50017 1 21 . GLY . 50017 1 22 . GLY . 50017 1 23 . ARG . 50017 1 24 . GLY . 50017 1 25 . GLY . 50017 1 26 . GLY . 50017 1 27 . PHE . 50017 1 28 . GLY . 50017 1 29 . GLY . 50017 1 30 . ASN . 50017 1 31 . ASP . 50017 1 32 . ASN . 50017 1 33 . PHE . 50017 1 34 . GLY . 50017 1 35 . ARG . 50017 1 36 . GLY . 50017 1 37 . GLY . 50017 1 38 . ASN . 50017 1 39 . PHE . 50017 1 40 . SER . 50017 1 41 . GLY . 50017 1 42 . ARG . 50017 1 43 . GLY . 50017 1 44 . GLY . 50017 1 45 . PHE . 50017 1 46 . GLY . 50017 1 47 . GLY . 50017 1 48 . SER . 50017 1 49 . ARG . 50017 1 50 . GLY . 50017 1 51 . GLY . 50017 1 52 . GLY . 50017 1 53 . GLY . 50017 1 54 . TYR . 50017 1 55 . GLY . 50017 1 56 . GLY . 50017 1 57 . SER . 50017 1 58 . GLY . 50017 1 59 . ASP . 50017 1 60 . GLY . 50017 1 61 . TYR . 50017 1 62 . ASN . 50017 1 63 . GLY . 50017 1 64 . PHE . 50017 1 65 . GLY . 50017 1 66 . ASN . 50017 1 67 . ASP . 50017 1 68 . GLY . 50017 1 69 . SER . 50017 1 70 . ASN . 50017 1 71 . PHE . 50017 1 72 . GLY . 50017 1 73 . GLY . 50017 1 74 . GLY . 50017 1 75 . GLY . 50017 1 76 . ASN . 50017 1 77 . TYR . 50017 1 78 . ASN . 50017 1 79 . ASN . 50017 1 80 . GLN . 50017 1 81 . SER . 50017 1 82 . SER . 50017 1 83 . ASN . 50017 1 84 . PHE . 50017 1 85 . GLY . 50017 1 86 . PRO . 50017 1 87 . MET . 50017 1 88 . LYS . 50017 1 89 . GLY . 50017 1 90 . GLY . 50017 1 91 . ASN . 50017 1 92 . PHE . 50017 1 93 . GLY . 50017 1 94 . GLY . 50017 1 95 . ARG . 50017 1 96 . SER . 50017 1 97 . SER . 50017 1 98 . GLY . 50017 1 99 . PRO . 50017 1 100 . TYR . 50017 1 101 . GLY . 50017 1 102 . GLY . 50017 1 103 . GLY . 50017 1 104 . GLY . 50017 1 105 . GLN . 50017 1 106 . TYR . 50017 1 107 . PHE . 50017 1 108 . ALA . 50017 1 109 . LYS . 50017 1 110 . PRO . 50017 1 111 . ARG . 50017 1 112 . ASN . 50017 1 113 . GLN . 50017 1 114 . GLY . 50017 1 115 . GLY . 50017 1 116 . TYR . 50017 1 117 . GLY . 50017 1 118 . GLY . 50017 1 119 . SER . 50017 1 120 . SER . 50017 1 121 . SER . 50017 1 122 . SER . 50017 1 123 . SER . 50017 1 124 . SER . 50017 1 125 . TYR . 50017 1 126 . GLY . 50017 1 127 . SER . 50017 1 128 . GLY . 50017 1 129 . ARG . 50017 1 130 . ARG . 50017 1 131 . PHE . 50017 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 50017 1 . SER 2 2 50017 1 . MET 3 3 50017 1 . ALA 4 4 50017 1 . SER 5 5 50017 1 . ALA 6 6 50017 1 . SER 7 7 50017 1 . SER 8 8 50017 1 . SER 9 9 50017 1 . GLN 10 10 50017 1 . ARG 11 11 50017 1 . GLY 12 12 50017 1 . ARG 13 13 50017 1 . SER 14 14 50017 1 . GLY 15 15 50017 1 . SER 16 16 50017 1 . GLY 17 17 50017 1 . ASN 18 18 50017 1 . PHE 19 19 50017 1 . GLY 20 20 50017 1 . GLY 21 21 50017 1 . GLY 22 22 50017 1 . ARG 23 23 50017 1 . GLY 24 24 50017 1 . GLY 25 25 50017 1 . GLY 26 26 50017 1 . PHE 27 27 50017 1 . GLY 28 28 50017 1 . GLY 29 29 50017 1 . ASN 30 30 50017 1 . ASP 31 31 50017 1 . ASN 32 32 50017 1 . PHE 33 33 50017 1 . GLY 34 34 50017 1 . ARG 35 35 50017 1 . GLY 36 36 50017 1 . GLY 37 37 50017 1 . ASN 38 38 50017 1 . PHE 39 39 50017 1 . SER 40 40 50017 1 . GLY 41 41 50017 1 . ARG 42 42 50017 1 . GLY 43 43 50017 1 . GLY 44 44 50017 1 . PHE 45 45 50017 1 . GLY 46 46 50017 1 . GLY 47 47 50017 1 . SER 48 48 50017 1 . ARG 49 49 50017 1 . GLY 50 50 50017 1 . GLY 51 51 50017 1 . GLY 52 52 50017 1 . GLY 53 53 50017 1 . TYR 54 54 50017 1 . GLY 55 55 50017 1 . GLY 56 56 50017 1 . SER 57 57 50017 1 . GLY 58 58 50017 1 . ASP 59 59 50017 1 . GLY 60 60 50017 1 . TYR 61 61 50017 1 . ASN 62 62 50017 1 . GLY 63 63 50017 1 . PHE 64 64 50017 1 . GLY 65 65 50017 1 . ASN 66 66 50017 1 . ASP 67 67 50017 1 . GLY 68 68 50017 1 . SER 69 69 50017 1 . ASN 70 70 50017 1 . PHE 71 71 50017 1 . GLY 72 72 50017 1 . GLY 73 73 50017 1 . GLY 74 74 50017 1 . GLY 75 75 50017 1 . ASN 76 76 50017 1 . TYR 77 77 50017 1 . ASN 78 78 50017 1 . ASN 79 79 50017 1 . GLN 80 80 50017 1 . SER 81 81 50017 1 . SER 82 82 50017 1 . ASN 83 83 50017 1 . PHE 84 84 50017 1 . GLY 85 85 50017 1 . PRO 86 86 50017 1 . MET 87 87 50017 1 . LYS 88 88 50017 1 . GLY 89 89 50017 1 . GLY 90 90 50017 1 . ASN 91 91 50017 1 . PHE 92 92 50017 1 . GLY 93 93 50017 1 . GLY 94 94 50017 1 . ARG 95 95 50017 1 . SER 96 96 50017 1 . SER 97 97 50017 1 . GLY 98 98 50017 1 . PRO 99 99 50017 1 . TYR 100 100 50017 1 . GLY 101 101 50017 1 . GLY 102 102 50017 1 . GLY 103 103 50017 1 . GLY 104 104 50017 1 . GLN 105 105 50017 1 . TYR 106 106 50017 1 . PHE 107 107 50017 1 . ALA 108 108 50017 1 . LYS 109 109 50017 1 . PRO 110 110 50017 1 . ARG 111 111 50017 1 . ASN 112 112 50017 1 . GLN 113 113 50017 1 . GLY 114 114 50017 1 . GLY 115 115 50017 1 . TYR 116 116 50017 1 . GLY 117 117 50017 1 . GLY 118 118 50017 1 . SER 119 119 50017 1 . SER 120 120 50017 1 . SER 121 121 50017 1 . SER 122 122 50017 1 . SER 123 123 50017 1 . SER 124 124 50017 1 . TYR 125 125 50017 1 . GLY 126 126 50017 1 . SER 127 127 50017 1 . GLY 128 128 50017 1 . ARG 129 129 50017 1 . ARG 130 130 50017 1 . PHE 131 131 50017 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 50017 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50017 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 50017 _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' . . . . . . . . plasmid . . pDEST17 . . . 50017 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50017 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details 'hnRNPA1 LCD (deltahexa construct): 50 mM MES, pH 5.5, 10% D2O, temp=25 C [protein]~0.8mM.' _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 LCD 'natural abundance' . . 1 $entity_1 . . 836 . . uM . . . . 50017 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 50017 1 3 DSS 'natural abundance' . . . . . . 200 . . uM . . . . 50017 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 50017 1 5 MES 'natural abundance' . . . . . . 50 . . mM . . . . 50017 1 6 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 50017 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 50017 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.5 . pH 50017 1 pressure 1 . atm 50017 1 temperature 298 . K 50017 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50017 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 50017 1 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 50017 1 Goddard . . 50017 1 'Keller and Wuthrich' . . 50017 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 50017 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 50017 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'Equipped with TCI triple-resonance cryogenic probes and pulse-field gradient units' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 50017 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50017 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50017 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50017 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50017 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50017 1 6 '3D NH(CA)NNH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50017 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 50017 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect . . . . . . 50017 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . 0.08 50017 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect . . . . . . 50017 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 50017 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50017 1 2 '3D HNCACB' . . . 50017 1 3 '3D CBCA(CO)NH' . . . 50017 1 4 '3D HNCO' . . . 50017 1 5 '3D HN(CA)CO' . . . 50017 1 6 '3D NH(CA)NNH' . . . 50017 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 8.494 0.020 . 1 . . . . . 3 MET H . 50017 1 2 . 1 . 1 3 3 MET C C 13 176.368 0.3 . 1 . . . . . 3 MET C . 50017 1 3 . 1 . 1 3 3 MET CA C 13 55.763 0.3 . 1 . . . . . 3 MET CA . 50017 1 4 . 1 . 1 3 3 MET CB C 13 33.003 0.3 . 1 . . . . . 3 MET CB . 50017 1 5 . 1 . 1 3 3 MET N N 15 123.511 0.3 . 1 . . . . . 3 MET N . 50017 1 6 . 1 . 1 4 4 ALA H H 1 8.299 0.020 . 1 . . . . . 4 ALA H . 50017 1 7 . 1 . 1 4 4 ALA C C 13 178.063 0.3 . 1 . . . . . 4 ALA C . 50017 1 8 . 1 . 1 4 4 ALA CA C 13 52.938 0.3 . 1 . . . . . 4 ALA CA . 50017 1 9 . 1 . 1 4 4 ALA CB C 13 19.273 0.3 . 1 . . . . . 4 ALA CB . 50017 1 10 . 1 . 1 4 4 ALA N N 15 126.476 0.3 . 1 . . . . . 4 ALA N . 50017 1 11 . 1 . 1 5 5 SER H H 1 8.184 0.020 . 1 . . . . . 5 SER H . 50017 1 12 . 1 . 1 5 5 SER C C 13 174.844 0.3 . 1 . . . . . 5 SER C . 50017 1 13 . 1 . 1 5 5 SER CA C 13 58.516 0.3 . 1 . . . . . 5 SER CA . 50017 1 14 . 1 . 1 5 5 SER CB C 13 64.083 0.3 . 1 . . . . . 5 SER CB . 50017 1 15 . 1 . 1 5 5 SER N N 15 115.991 0.3 . 1 . . . . . 5 SER N . 50017 1 16 . 1 . 1 6 6 ALA H H 1 8.280 0.020 . 1 . . . . . 6 ALA H . 50017 1 17 . 1 . 1 6 6 ALA C C 13 178.279 0.3 . 1 . . . . . 6 ALA C . 50017 1 18 . 1 . 1 6 6 ALA CA C 13 53.012 0.3 . 1 . . . . . 6 ALA CA . 50017 1 19 . 1 . 1 6 6 ALA CB C 13 19.328 0.3 . 1 . . . . . 6 ALA CB . 50017 1 20 . 1 . 1 6 6 ALA N N 15 127.013 0.3 . 1 . . . . . 6 ALA N . 50017 1 21 . 1 . 1 7 7 SER H H 1 8.199 0.020 . 1 . . . . . 7 SER H . 50017 1 22 . 1 . 1 7 7 SER C C 13 175.264 0.3 . 1 . . . . . 7 SER C . 50017 1 23 . 1 . 1 7 7 SER CA C 13 58.852 0.3 . 1 . . . . . 7 SER CA . 50017 1 24 . 1 . 1 7 7 SER CB C 13 63.903 0.3 . 1 . . . . . 7 SER CB . 50017 1 25 . 1 . 1 7 7 SER N N 15 115.561 0.3 . 1 . . . . . 7 SER N . 50017 1 26 . 1 . 1 8 8 SER H H 1 8.227 0.020 . 1 . . . . . 8 SER H . 50017 1 27 . 1 . 1 8 8 SER C C 13 174.968 0.3 . 1 . . . . . 8 SER C . 50017 1 28 . 1 . 1 8 8 SER CA C 13 58.903 0.3 . 1 . . . . . 8 SER CA . 50017 1 29 . 1 . 1 8 8 SER CB C 13 63.907 0.3 . 1 . . . . . 8 SER CB . 50017 1 30 . 1 . 1 8 8 SER N N 15 118.537 0.3 . 1 . . . . . 8 SER N . 50017 1 31 . 1 . 1 9 9 SER H H 1 8.203 0.020 . 1 . . . . . 9 SER H . 50017 1 32 . 1 . 1 9 9 SER C C 13 174.914 0.3 . 1 . . . . . 9 SER C . 50017 1 33 . 1 . 1 9 9 SER CA C 13 58.881 0.3 . 1 . . . . . 9 SER CA . 50017 1 34 . 1 . 1 9 9 SER CB C 13 63.923 0.3 . 1 . . . . . 9 SER CB . 50017 1 35 . 1 . 1 9 9 SER N N 15 118.376 0.3 . 1 . . . . . 9 SER N . 50017 1 36 . 1 . 1 10 10 GLN H H 1 8.194 0.020 . 1 . . . . . 10 GLN H . 50017 1 37 . 1 . 1 10 10 GLN C C 13 176.332 0.3 . 1 . . . . . 10 GLN C . 50017 1 38 . 1 . 1 10 10 GLN CA C 13 56.345 0.3 . 1 . . . . . 10 GLN CA . 50017 1 39 . 1 . 1 10 10 GLN CB C 13 29.329 0.3 . 1 . . . . . 10 GLN CB . 50017 1 40 . 1 . 1 10 10 GLN N N 15 122.804 0.3 . 1 . . . . . 10 GLN N . 50017 1 41 . 1 . 1 11 11 ARG H H 1 8.194 0.020 . 1 . . . . . 11 ARG H . 50017 1 42 . 1 . 1 11 11 ARG C C 13 177.093 0.3 . 1 . . . . . 11 ARG C . 50017 1 43 . 1 . 1 11 11 ARG CA C 13 56.655 0.3 . 1 . . . . . 11 ARG CA . 50017 1 44 . 1 . 1 11 11 ARG CB C 13 30.849 0.3 . 1 . . . . . 11 ARG CB . 50017 1 45 . 1 . 1 11 11 ARG N N 15 122.695 0.3 . 1 . . . . . 11 ARG N . 50017 1 46 . 1 . 1 12 12 GLY H H 1 8.313 0.020 . 1 . . . . . 12 GLY H . 50017 1 47 . 1 . 1 12 12 GLY C C 13 174.337 0.3 . 1 . . . . . 12 GLY C . 50017 1 48 . 1 . 1 12 12 GLY CA C 13 45.392 0.3 . 1 . . . . . 12 GLY CA . 50017 1 49 . 1 . 1 12 12 GLY N N 15 110.706 0.3 . 1 . . . . . 12 GLY N . 50017 1 50 . 1 . 1 13 13 ARG H H 1 8.118 0.020 . 1 . . . . . 13 ARG H . 50017 1 51 . 1 . 1 13 13 ARG C C 13 176.779 0.3 . 1 . . . . . 13 ARG C . 50017 1 52 . 1 . 1 13 13 ARG CA C 13 56.335 0.3 . 1 . . . . . 13 ARG CA . 50017 1 53 . 1 . 1 13 13 ARG CB C 13 31.065 0.3 . 1 . . . . . 13 ARG CB . 50017 1 54 . 1 . 1 13 13 ARG N N 15 121.362 0.3 . 1 . . . . . 13 ARG N . 50017 1 55 . 1 . 1 14 14 SER H H 1 8.332 0.020 . 1 . . . . . 14 SER H . 50017 1 56 . 1 . 1 14 14 SER C C 13 175.274 0.3 . 1 . . . . . 14 SER C . 50017 1 57 . 1 . 1 14 14 SER CA C 13 58.772 0.3 . 1 . . . . . 14 SER CA . 50017 1 58 . 1 . 1 14 14 SER CB C 13 64.053 0.3 . 1 . . . . . 14 SER CB . 50017 1 59 . 1 . 1 14 14 SER N N 15 117.925 0.3 . 1 . . . . . 14 SER N . 50017 1 60 . 1 . 1 15 15 GLY H H 1 8.363 0.020 . 1 . . . . . 15 GLY H . 50017 1 61 . 1 . 1 15 15 GLY C C 13 174.471 0.3 . 1 . . . . . 15 GLY C . 50017 1 62 . 1 . 1 15 15 GLY CA C 13 45.511 0.3 . 1 . . . . . 15 GLY CA . 50017 1 63 . 1 . 1 15 15 GLY N N 15 111.858 0.3 . 1 . . . . . 15 GLY N . 50017 1 64 . 1 . 1 16 16 SER H H 1 8.184 0.020 . 1 . . . . . 16 SER H . 50017 1 65 . 1 . 1 16 16 SER C C 13 175.272 0.3 . 1 . . . . . 16 SER C . 50017 1 66 . 1 . 1 16 16 SER CA C 13 58.724 0.3 . 1 . . . . . 16 SER CA . 50017 1 67 . 1 . 1 16 16 SER CB C 13 64.217 0.3 . 1 . . . . . 16 SER CB . 50017 1 68 . 1 . 1 16 16 SER N N 15 116.335 0.3 . 1 . . . . . 16 SER N . 50017 1 69 . 1 . 1 17 17 GLY H H 1 8.332 0.020 . 1 . . . . . 17 GLY H . 50017 1 70 . 1 . 1 17 17 GLY C C 13 173.905 0.3 . 1 . . . . . 17 GLY C . 50017 1 71 . 1 . 1 17 17 GLY CA C 13 45.373 0.3 . 1 . . . . . 17 GLY CA . 50017 1 72 . 1 . 1 17 17 GLY N N 15 111.350 0.3 . 1 . . . . . 17 GLY N . 50017 1 73 . 1 . 1 18 18 ASN H H 1 8.117 0.020 . 1 . . . . . 18 ASN H . 50017 1 74 . 1 . 1 18 18 ASN C C 13 175.229 0.3 . 1 . . . . . 18 ASN C . 50017 1 75 . 1 . 1 18 18 ASN CA C 13 53.258 0.3 . 1 . . . . . 18 ASN CA . 50017 1 76 . 1 . 1 18 18 ASN CB C 13 38.904 0.3 . 1 . . . . . 18 ASN CB . 50017 1 77 . 1 . 1 18 18 ASN N N 15 119.407 0.3 . 1 . . . . . 18 ASN N . 50017 1 78 . 1 . 1 19 19 PHE H H 1 8.205 0.020 . 1 . . . . . 19 PHE H . 50017 1 79 . 1 . 1 19 19 PHE C C 13 176.596 0.3 . 1 . . . . . 19 PHE C . 50017 1 80 . 1 . 1 19 19 PHE CA C 13 58.028 0.3 . 1 . . . . . 19 PHE CA . 50017 1 81 . 1 . 1 19 19 PHE CB C 13 39.453 0.3 . 1 . . . . . 19 PHE CB . 50017 1 82 . 1 . 1 19 19 PHE N N 15 121.683 0.3 . 1 . . . . . 19 PHE N . 50017 1 83 . 1 . 1 20 20 GLY H H 1 8.289 0.020 . 1 . . . . . 20 GLY H . 50017 1 84 . 1 . 1 20 20 GLY C C 13 174.967 0.3 . 1 . . . . . 20 GLY C . 50017 1 85 . 1 . 1 20 20 GLY CA C 13 45.609 0.3 . 1 . . . . . 20 GLY CA . 50017 1 86 . 1 . 1 20 20 GLY N N 15 111.500 0.3 . 1 . . . . . 20 GLY N . 50017 1 87 . 1 . 1 21 21 GLY H H 1 7.970 0.020 . 1 . . . . . 21 GLY H . 50017 1 88 . 1 . 1 21 21 GLY C C 13 174.984 0.3 . 1 . . . . . 21 GLY C . 50017 1 89 . 1 . 1 21 21 GLY CA C 13 45.516 0.3 . 1 . . . . . 21 GLY CA . 50017 1 90 . 1 . 1 21 21 GLY N N 15 109.287 0.3 . 1 . . . . . 21 GLY N . 50017 1 91 . 1 . 1 22 22 GLY H H 1 8.197 0.020 . 1 . . . . . 22 GLY H . 50017 1 92 . 1 . 1 22 22 GLY C C 13 174.536 0.3 . 1 . . . . . 22 GLY C . 50017 1 93 . 1 . 1 22 22 GLY CA C 13 45.422 0.3 . 1 . . . . . 22 GLY CA . 50017 1 94 . 1 . 1 22 22 GLY N N 15 109.481 0.3 . 1 . . . . . 22 GLY N . 50017 1 95 . 1 . 1 23 23 ARG H H 1 8.184 0.020 . 1 . . . . . 23 ARG H . 50017 1 96 . 1 . 1 23 23 ARG C C 13 177.219 0.3 . 1 . . . . . 23 ARG C . 50017 1 97 . 1 . 1 23 23 ARG CA C 13 56.347 0.3 . 1 . . . . . 23 ARG CA . 50017 1 98 . 1 . 1 23 23 ARG CB C 13 30.991 0.3 . 1 . . . . . 23 ARG CB . 50017 1 99 . 1 . 1 23 23 ARG N N 15 121.234 0.3 . 1 . . . . . 23 ARG N . 50017 1 100 . 1 . 1 24 24 GLY H H 1 8.389 0.020 . 1 . . . . . 24 GLY H . 50017 1 101 . 1 . 1 24 24 GLY C C 13 174.856 0.3 . 1 . . . . . 24 GLY C . 50017 1 102 . 1 . 1 24 24 GLY CA C 13 45.369 0.3 . 1 . . . . . 24 GLY CA . 50017 1 103 . 1 . 1 24 24 GLY N N 15 110.727 0.3 . 1 . . . . . 24 GLY N . 50017 1 104 . 1 . 1 25 25 GLY H H 1 8.168 0.020 . 1 . . . . . 25 GLY H . 50017 1 105 . 1 . 1 25 25 GLY C C 13 174.881 0.3 . 1 . . . . . 25 GLY C . 50017 1 106 . 1 . 1 25 25 GLY CA C 13 45.366 0.3 . 1 . . . . . 25 GLY CA . 50017 1 107 . 1 . 1 25 25 GLY N N 15 109.416 0.3 . 1 . . . . . 25 GLY N . 50017 1 108 . 1 . 1 26 26 GLY H H 1 8.142 0.020 . 1 . . . . . 26 GLY H . 50017 1 109 . 1 . 1 26 26 GLY C C 13 174.197 0.3 . 1 . . . . . 26 GLY C . 50017 1 110 . 1 . 1 26 26 GLY CA C 13 45.346 0.3 . 1 . . . . . 26 GLY CA . 50017 1 111 . 1 . 1 26 26 GLY N N 15 109.268 0.3 . 1 . . . . . 26 GLY N . 50017 1 112 . 1 . 1 27 27 PHE H H 1 8.103 0.020 . 1 . . . . . 27 PHE H . 50017 1 113 . 1 . 1 27 27 PHE C C 13 176.657 0.3 . 1 . . . . . 27 PHE C . 50017 1 114 . 1 . 1 27 27 PHE CA C 13 58.019 0.3 . 1 . . . . . 27 PHE CA . 50017 1 115 . 1 . 1 27 27 PHE CB C 13 39.747 0.3 . 1 . . . . . 27 PHE CB . 50017 1 116 . 1 . 1 27 27 PHE N N 15 120.786 0.3 . 1 . . . . . 27 PHE N . 50017 1 117 . 1 . 1 28 28 GLY H H 1 8.362 0.020 . 1 . . . . . 28 GLY H . 50017 1 118 . 1 . 1 28 28 GLY C C 13 174.790 0.3 . 1 . . . . . 28 GLY C . 50017 1 119 . 1 . 1 28 28 GLY CA C 13 45.492 0.3 . 1 . . . . . 28 GLY CA . 50017 1 120 . 1 . 1 28 28 GLY N N 15 111.781 0.3 . 1 . . . . . 28 GLY N . 50017 1 121 . 1 . 1 29 29 GLY H H 1 7.897 0.020 . 1 . . . . . 29 GLY H . 50017 1 122 . 1 . 1 29 29 GLY C C 13 174.186 0.3 . 1 . . . . . 29 GLY C . 50017 1 123 . 1 . 1 29 29 GLY CA C 13 45.370 0.3 . 1 . . . . . 29 GLY CA . 50017 1 124 . 1 . 1 29 29 GLY N N 15 109.104 0.3 . 1 . . . . . 29 GLY N . 50017 1 125 . 1 . 1 30 30 ASN H H 1 8.251 0.020 . 1 . . . . . 30 ASN H . 50017 1 126 . 1 . 1 30 30 ASN C C 13 175.271 0.3 . 1 . . . . . 30 ASN C . 50017 1 127 . 1 . 1 30 30 ASN CA C 13 53.511 0.3 . 1 . . . . . 30 ASN CA . 50017 1 128 . 1 . 1 30 30 ASN CB C 13 39.173 0.3 . 1 . . . . . 30 ASN CB . 50017 1 129 . 1 . 1 30 30 ASN N N 15 119.321 0.3 . 1 . . . . . 30 ASN N . 50017 1 130 . 1 . 1 31 31 ASP H H 1 8.237 0.020 . 1 . . . . . 31 ASP H . 50017 1 131 . 1 . 1 31 31 ASP C C 13 176.263 0.3 . 1 . . . . . 31 ASP C . 50017 1 132 . 1 . 1 31 31 ASP CA C 13 54.646 0.3 . 1 . . . . . 31 ASP CA . 50017 1 133 . 1 . 1 31 31 ASP CB C 13 41.219 0.3 . 1 . . . . . 31 ASP CB . 50017 1 134 . 1 . 1 31 31 ASP N N 15 121.298 0.3 . 1 . . . . . 31 ASP N . 50017 1 135 . 1 . 1 32 32 ASN H H 1 8.208 0.020 . 1 . . . . . 32 ASN H . 50017 1 136 . 1 . 1 32 32 ASN C C 13 175.471 0.3 . 1 . . . . . 32 ASN C . 50017 1 137 . 1 . 1 32 32 ASN CA C 13 53.545 0.3 . 1 . . . . . 32 ASN CA . 50017 1 138 . 1 . 1 32 32 ASN CB C 13 38.883 0.3 . 1 . . . . . 32 ASN CB . 50017 1 139 . 1 . 1 32 32 ASN N N 15 119.257 0.3 . 1 . . . . . 32 ASN N . 50017 1 140 . 1 . 1 33 33 PHE H H 1 8.117 0.020 . 1 . . . . . 33 PHE H . 50017 1 141 . 1 . 1 33 33 PHE C C 13 176.654 0.3 . 1 . . . . . 33 PHE C . 50017 1 142 . 1 . 1 33 33 PHE CA C 13 58.434 0.3 . 1 . . . . . 33 PHE CA . 50017 1 143 . 1 . 1 33 33 PHE CB C 13 39.128 0.3 . 1 . . . . . 33 PHE CB . 50017 1 144 . 1 . 1 33 33 PHE N N 15 120.546 0.3 . 1 . . . . . 33 PHE N . 50017 1 145 . 1 . 1 34 34 GLY H H 1 8.165 0.020 . 1 . . . . . 34 GLY H . 50017 1 146 . 1 . 1 34 34 GLY C C 13 174.595 0.3 . 1 . . . . . 34 GLY C . 50017 1 147 . 1 . 1 34 34 GLY CA C 13 45.613 0.3 . 1 . . . . . 34 GLY CA . 50017 1 148 . 1 . 1 34 34 GLY N N 15 110.577 0.3 . 1 . . . . . 34 GLY N . 50017 1 149 . 1 . 1 35 35 ARG H H 1 8.022 0.020 . 1 . . . . . 35 ARG H . 50017 1 150 . 1 . 1 35 35 ARG C C 13 177.156 0.3 . 1 . . . . . 35 ARG C . 50017 1 151 . 1 . 1 35 35 ARG CA C 13 56.355 0.3 . 1 . . . . . 35 ARG CA . 50017 1 152 . 1 . 1 35 35 ARG CB C 13 30.748 0.3 . 1 . . . . . 35 ARG CB . 50017 1 153 . 1 . 1 35 35 ARG N N 15 121.062 0.3 . 1 . . . . . 35 ARG N . 50017 1 154 . 1 . 1 36 36 GLY H H 1 8.365 0.020 . 1 . . . . . 36 GLY H . 50017 1 155 . 1 . 1 36 36 GLY C C 13 174.780 0.3 . 1 . . . . . 36 GLY C . 50017 1 156 . 1 . 1 36 36 GLY CA C 13 45.495 0.3 . 1 . . . . . 36 GLY CA . 50017 1 157 . 1 . 1 36 36 GLY N N 15 110.405 0.3 . 1 . . . . . 36 GLY N . 50017 1 158 . 1 . 1 37 37 GLY H H 1 8.108 0.020 . 1 . . . . . 37 GLY H . 50017 1 159 . 1 . 1 37 37 GLY C C 13 174.002 0.3 . 1 . . . . . 37 GLY C . 50017 1 160 . 1 . 1 37 37 GLY CA C 13 45.345 0.3 . 1 . . . . . 37 GLY CA . 50017 1 161 . 1 . 1 37 37 GLY N N 15 109.137 0.3 . 1 . . . . . 37 GLY N . 50017 1 162 . 1 . 1 38 38 ASN H H 1 8.176 0.020 . 1 . . . . . 38 ASN H . 50017 1 163 . 1 . 1 38 38 ASN C C 13 175.267 0.3 . 1 . . . . . 38 ASN C . 50017 1 164 . 1 . 1 38 38 ASN CA C 13 53.294 0.3 . 1 . . . . . 38 ASN CA . 50017 1 165 . 1 . 1 38 38 ASN CB C 13 38.887 0.3 . 1 . . . . . 38 ASN CB . 50017 1 166 . 1 . 1 38 38 ASN N N 15 119.344 0.3 . 1 . . . . . 38 ASN N . 50017 1 167 . 1 . 1 39 39 PHE H H 1 8.160 0.020 . 1 . . . . . 39 PHE H . 50017 1 168 . 1 . 1 39 39 PHE C C 13 176.158 0.3 . 1 . . . . . 39 PHE C . 50017 1 169 . 1 . 1 39 39 PHE CA C 13 58.008 0.3 . 1 . . . . . 39 PHE CA . 50017 1 170 . 1 . 1 39 39 PHE CB C 13 39.467 0.3 . 1 . . . . . 39 PHE CB . 50017 1 171 . 1 . 1 39 39 PHE N N 15 121.642 0.3 . 1 . . . . . 39 PHE N . 50017 1 172 . 1 . 1 40 40 SER H H 1 8.165 0.020 . 1 . . . . . 40 SER H . 50017 1 173 . 1 . 1 40 40 SER C C 13 175.159 0.3 . 1 . . . . . 40 SER C . 50017 1 174 . 1 . 1 40 40 SER CA C 13 58.874 0.3 . 1 . . . . . 40 SER CA . 50017 1 175 . 1 . 1 40 40 SER CB C 13 63.953 0.3 . 1 . . . . . 40 SER CB . 50017 1 176 . 1 . 1 40 40 SER N N 15 117.992 0.3 . 1 . . . . . 40 SER N . 50017 1 177 . 1 . 1 41 41 GLY H H 1 7.927 0.020 . 1 . . . . . 41 GLY H . 50017 1 178 . 1 . 1 41 41 GLY C C 13 174.376 0.3 . 1 . . . . . 41 GLY C . 50017 1 179 . 1 . 1 41 41 GLY CA C 13 45.613 0.3 . 1 . . . . . 41 GLY CA . 50017 1 180 . 1 . 1 41 41 GLY N N 15 111.157 0.3 . 1 . . . . . 41 GLY N . 50017 1 181 . 1 . 1 42 42 ARG H H 1 8.074 0.020 . 1 . . . . . 42 ARG H . 50017 1 182 . 1 . 1 42 42 ARG C C 13 177.069 0.3 . 1 . . . . . 42 ARG C . 50017 1 183 . 1 . 1 42 42 ARG CA C 13 56.351 0.3 . 1 . . . . . 42 ARG CA . 50017 1 184 . 1 . 1 42 42 ARG CB C 13 31.021 0.3 . 1 . . . . . 42 ARG CB . 50017 1 185 . 1 . 1 42 42 ARG N N 15 121.171 0.3 . 1 . . . . . 42 ARG N . 50017 1 186 . 1 . 1 43 43 GLY H H 1 8.356 0.020 . 1 . . . . . 43 GLY H . 50017 1 187 . 1 . 1 43 43 GLY C C 13 174.622 0.3 . 1 . . . . . 43 GLY C . 50017 1 188 . 1 . 1 43 43 GLY CA C 13 45.377 0.3 . 1 . . . . . 43 GLY CA . 50017 1 189 . 1 . 1 43 43 GLY N N 15 110.641 0.3 . 1 . . . . . 43 GLY N . 50017 1 190 . 1 . 1 44 44 GLY H H 1 8.048 0.020 . 1 . . . . . 44 GLY H . 50017 1 191 . 1 . 1 44 44 GLY C C 13 174.215 0.3 . 1 . . . . . 44 GLY C . 50017 1 192 . 1 . 1 44 44 GLY CA C 13 45.345 0.3 . 1 . . . . . 44 GLY CA . 50017 1 193 . 1 . 1 44 44 GLY N N 15 109.158 0.3 . 1 . . . . . 44 GLY N . 50017 1 194 . 1 . 1 45 45 PHE H H 1 8.103 0.020 . 1 . . . . . 45 PHE H . 50017 1 195 . 1 . 1 45 45 PHE C C 13 176.658 0.3 . 1 . . . . . 45 PHE C . 50017 1 196 . 1 . 1 45 45 PHE CA C 13 58.059 0.3 . 1 . . . . . 45 PHE CA . 50017 1 197 . 1 . 1 45 45 PHE CB C 13 39.736 0.3 . 1 . . . . . 45 PHE CB . 50017 1 198 . 1 . 1 45 45 PHE N N 15 120.824 0.3 . 1 . . . . . 45 PHE N . 50017 1 199 . 1 . 1 46 46 GLY H H 1 8.352 0.020 . 1 . . . . . 46 GLY H . 50017 1 200 . 1 . 1 46 46 GLY C C 13 174.811 0.3 . 1 . . . . . 46 GLY C . 50017 1 201 . 1 . 1 46 46 GLY CA C 13 45.515 0.3 . 1 . . . . . 46 GLY CA . 50017 1 202 . 1 . 1 46 46 GLY N N 15 111.768 0.3 . 1 . . . . . 46 GLY N . 50017 1 203 . 1 . 1 47 47 GLY H H 1 7.874 0.020 . 1 . . . . . 47 GLY H . 50017 1 204 . 1 . 1 47 47 GLY C C 13 174.506 0.3 . 1 . . . . . 47 GLY C . 50017 1 205 . 1 . 1 47 47 GLY CA C 13 45.392 0.3 . 1 . . . . . 47 GLY CA . 50017 1 206 . 1 . 1 47 47 GLY N N 15 109.266 0.3 . 1 . . . . . 47 GLY N . 50017 1 207 . 1 . 1 48 48 SER H H 1 8.166 0.020 . 1 . . . . . 48 SER H . 50017 1 208 . 1 . 1 48 48 SER C C 13 175.091 0.3 . 1 . . . . . 48 SER C . 50017 1 209 . 1 . 1 48 48 SER CA C 13 58.835 0.3 . 1 . . . . . 48 SER CA . 50017 1 210 . 1 . 1 48 48 SER CB C 13 64.029 0.3 . 1 . . . . . 48 SER CB . 50017 1 211 . 1 . 1 48 48 SER N N 15 116.564 0.3 . 1 . . . . . 48 SER N . 50017 1 212 . 1 . 1 49 49 ARG H H 1 8.351 0.020 . 1 . . . . . 49 ARG H . 50017 1 213 . 1 . 1 49 49 ARG C C 13 177.038 0.3 . 1 . . . . . 49 ARG C . 50017 1 214 . 1 . 1 49 49 ARG CA C 13 56.463 0.3 . 1 . . . . . 49 ARG CA . 50017 1 215 . 1 . 1 49 49 ARG CB C 13 30.734 0.3 . 1 . . . . . 49 ARG CB . 50017 1 216 . 1 . 1 49 49 ARG N N 15 123.490 0.3 . 1 . . . . . 49 ARG N . 50017 1 217 . 1 . 1 50 50 GLY H H 1 8.246 0.020 . 1 . . . . . 50 GLY H . 50017 1 218 . 1 . 1 50 50 GLY C C 13 174.845 0.3 . 1 . . . . . 50 GLY C . 50017 1 219 . 1 . 1 50 50 GLY CA C 13 45.380 0.3 . 1 . . . . . 50 GLY CA . 50017 1 220 . 1 . 1 50 50 GLY N N 15 110.362 0.3 . 1 . . . . . 50 GLY N . 50017 1 221 . 1 . 1 51 51 GLY H H 1 8.171 0.020 . 1 . . . . . 51 GLY H . 50017 1 222 . 1 . 1 51 51 GLY C C 13 174.997 0.3 . 1 . . . . . 51 GLY C . 50017 1 223 . 1 . 1 51 51 GLY CA C 13 45.375 0.3 . 1 . . . . . 51 GLY CA . 50017 1 224 . 1 . 1 51 51 GLY N N 15 109.560 0.3 . 1 . . . . . 51 GLY N . 50017 1 225 . 1 . 1 52 52 GLY H H 1 8.218 0.020 . 1 . . . . . 52 GLY H . 50017 1 226 . 1 . 1 52 52 GLY C C 13 174.783 0.3 . 1 . . . . . 52 GLY C . 50017 1 227 . 1 . 1 52 52 GLY CA C 13 45.372 0.3 . 1 . . . . . 52 GLY CA . 50017 1 228 . 1 . 1 52 52 GLY N N 15 109.433 0.3 . 1 . . . . . 52 GLY N . 50017 1 229 . 1 . 1 53 53 GLY H H 1 8.132 0.020 . 1 . . . . . 53 GLY H . 50017 1 230 . 1 . 1 53 53 GLY C C 13 174.218 0.3 . 1 . . . . . 53 GLY C . 50017 1 231 . 1 . 1 53 53 GLY CA C 13 45.349 0.3 . 1 . . . . . 53 GLY CA . 50017 1 232 . 1 . 1 53 53 GLY N N 15 109.307 0.3 . 1 . . . . . 53 GLY N . 50017 1 233 . 1 . 1 54 54 TYR H H 1 8.050 0.020 . 1 . . . . . 54 TYR H . 50017 1 234 . 1 . 1 54 54 TYR C C 13 176.720 0.3 . 1 . . . . . 54 TYR C . 50017 1 235 . 1 . 1 54 54 TYR CA C 13 58.313 0.3 . 1 . . . . . 54 TYR CA . 50017 1 236 . 1 . 1 54 54 TYR CB C 13 38.896 0.3 . 1 . . . . . 54 TYR CB . 50017 1 237 . 1 . 1 54 54 TYR N N 15 120.990 0.3 . 1 . . . . . 54 TYR N . 50017 1 238 . 1 . 1 55 55 GLY H H 1 8.346 0.020 . 1 . . . . . 55 GLY H . 50017 1 239 . 1 . 1 55 55 GLY C C 13 174.811 0.3 . 1 . . . . . 55 GLY C . 50017 1 240 . 1 . 1 55 55 GLY CA C 13 45.520 0.3 . 1 . . . . . 55 GLY CA . 50017 1 241 . 1 . 1 55 55 GLY N N 15 111.973 0.3 . 1 . . . . . 55 GLY N . 50017 1 242 . 1 . 1 56 56 GLY H H 1 7.835 0.020 . 1 . . . . . 56 GLY H . 50017 1 243 . 1 . 1 56 56 GLY C C 13 174.448 0.3 . 1 . . . . . 56 GLY C . 50017 1 244 . 1 . 1 56 56 GLY CA C 13 45.372 0.3 . 1 . . . . . 56 GLY CA . 50017 1 245 . 1 . 1 56 56 GLY N N 15 109.263 0.3 . 1 . . . . . 56 GLY N . 50017 1 246 . 1 . 1 57 57 SER H H 1 8.218 0.020 . 1 . . . . . 57 SER H . 50017 1 247 . 1 . 1 57 57 SER C C 13 175.349 0.3 . 1 . . . . . 57 SER C . 50017 1 248 . 1 . 1 57 57 SER CA C 13 58.855 0.3 . 1 . . . . . 57 SER CA . 50017 1 249 . 1 . 1 57 57 SER CB C 13 64.217 0.3 . 1 . . . . . 57 SER CB . 50017 1 250 . 1 . 1 57 57 SER N N 15 116.249 0.3 . 1 . . . . . 57 SER N . 50017 1 251 . 1 . 1 58 58 GLY H H 1 8.386 0.020 . 1 . . . . . 58 GLY H . 50017 1 252 . 1 . 1 58 58 GLY C C 13 174.154 0.3 . 1 . . . . . 58 GLY C . 50017 1 253 . 1 . 1 58 58 GLY CA C 13 45.630 0.3 . 1 . . . . . 58 GLY CA . 50017 1 254 . 1 . 1 58 58 GLY N N 15 111.732 0.3 . 1 . . . . . 58 GLY N . 50017 1 255 . 1 . 1 59 59 ASP H H 1 8.103 0.020 . 1 . . . . . 59 ASP H . 50017 1 256 . 1 . 1 59 59 ASP C C 13 176.666 0.3 . 1 . . . . . 59 ASP C . 50017 1 257 . 1 . 1 59 59 ASP CA C 13 54.628 0.3 . 1 . . . . . 59 ASP CA . 50017 1 258 . 1 . 1 59 59 ASP CB C 13 41.369 0.3 . 1 . . . . . 59 ASP CB . 50017 1 259 . 1 . 1 59 59 ASP N N 15 120.896 0.3 . 1 . . . . . 59 ASP N . 50017 1 260 . 1 . 1 60 60 GLY H H 1 8.176 0.020 . 1 . . . . . 60 GLY H . 50017 1 261 . 1 . 1 60 60 GLY C C 13 174.836 0.3 . 1 . . . . . 60 GLY C . 50017 1 262 . 1 . 1 60 60 GLY CA C 13 45.432 0.3 . 1 . . . . . 60 GLY CA . 50017 1 263 . 1 . 1 60 60 GLY N N 15 109.403 0.3 . 1 . . . . . 60 GLY N . 50017 1 264 . 1 . 1 62 62 ASN H H 1 8.279 0.020 . 1 . . . . . 62 ASN H . 50017 1 265 . 1 . 1 62 62 ASN C C 13 175.432 0.3 . 1 . . . . . 62 ASN C . 50017 1 266 . 1 . 1 62 62 ASN CA C 13 53.264 0.3 . 1 . . . . . 62 ASN CA . 50017 1 267 . 1 . 1 62 62 ASN CB C 13 39.037 0.3 . 1 . . . . . 62 ASN CB . 50017 1 268 . 1 . 1 62 62 ASN N N 15 121.987 0.3 . 1 . . . . . 62 ASN N . 50017 1 269 . 1 . 1 63 63 GLY H H 1 7.589 0.020 . 1 . . . . . 63 GLY H . 50017 1 270 . 1 . 1 63 63 GLY C C 13 174.024 0.3 . 1 . . . . . 63 GLY C . 50017 1 271 . 1 . 1 63 63 GLY CA C 13 45.493 0.3 . 1 . . . . . 63 GLY CA . 50017 1 272 . 1 . 1 63 63 GLY N N 15 108.973 0.3 . 1 . . . . . 63 GLY N . 50017 1 273 . 1 . 1 64 64 PHE H H 1 7.980 0.020 . 1 . . . . . 64 PHE H . 50017 1 274 . 1 . 1 64 64 PHE C C 13 176.534 0.3 . 1 . . . . . 64 PHE C . 50017 1 275 . 1 . 1 64 64 PHE CA C 13 57.904 0.3 . 1 . . . . . 64 PHE CA . 50017 1 276 . 1 . 1 64 64 PHE CB C 13 39.181 0.3 . 1 . . . . . 64 PHE CB . 50017 1 277 . 1 . 1 64 64 PHE N N 15 120.314 0.3 . 1 . . . . . 64 PHE N . 50017 1 278 . 1 . 1 65 65 GLY H H 1 8.313 0.020 . 1 . . . . . 65 GLY H . 50017 1 279 . 1 . 1 65 65 GLY C C 13 174.185 0.3 . 1 . . . . . 65 GLY C . 50017 1 280 . 1 . 1 65 65 GLY CA C 13 45.341 0.3 . 1 . . . . . 65 GLY CA . 50017 1 281 . 1 . 1 65 65 GLY N N 15 110.910 0.3 . 1 . . . . . 65 GLY N . 50017 1 282 . 1 . 1 66 66 ASN H H 1 8.203 0.020 . 1 . . . . . 66 ASN H . 50017 1 283 . 1 . 1 66 66 ASN C C 13 175.277 0.3 . 1 . . . . . 66 ASN C . 50017 1 284 . 1 . 1 66 66 ASN CA C 13 53.519 0.3 . 1 . . . . . 66 ASN CA . 50017 1 285 . 1 . 1 66 66 ASN CB C 13 39.043 0.3 . 1 . . . . . 66 ASN CB . 50017 1 286 . 1 . 1 66 66 ASN N N 15 119.515 0.3 . 1 . . . . . 66 ASN N . 50017 1 287 . 1 . 1 67 67 ASP H H 1 8.299 0.020 . 1 . . . . . 67 ASP H . 50017 1 288 . 1 . 1 67 67 ASP C C 13 177.095 0.3 . 1 . . . . . 67 ASP C . 50017 1 289 . 1 . 1 67 67 ASP CA C 13 54.664 0.3 . 1 . . . . . 67 ASP CA . 50017 1 290 . 1 . 1 67 67 ASP CB C 13 41.155 0.3 . 1 . . . . . 67 ASP CB . 50017 1 291 . 1 . 1 67 67 ASP N N 15 121.384 0.3 . 1 . . . . . 67 ASP N . 50017 1 292 . 1 . 1 68 68 GLY H H 1 8.299 0.020 . 1 . . . . . 68 GLY H . 50017 1 293 . 1 . 1 68 68 GLY C C 13 174.906 0.3 . 1 . . . . . 68 GLY C . 50017 1 294 . 1 . 1 68 68 GLY CA C 13 45.723 0.3 . 1 . . . . . 68 GLY CA . 50017 1 295 . 1 . 1 68 68 GLY N N 15 110.061 0.3 . 1 . . . . . 68 GLY N . 50017 1 296 . 1 . 1 69 69 SER H H 1 8.120 0.020 . 1 . . . . . 69 SER H . 50017 1 297 . 1 . 1 69 69 SER C C 13 174.609 0.3 . 1 . . . . . 69 SER C . 50017 1 298 . 1 . 1 69 69 SER CA C 13 59.096 0.3 . 1 . . . . . 69 SER CA . 50017 1 299 . 1 . 1 69 69 SER CB C 13 64.047 0.3 . 1 . . . . . 69 SER CB . 50017 1 300 . 1 . 1 69 69 SER N N 15 116.601 0.3 . 1 . . . . . 69 SER N . 50017 1 301 . 1 . 1 70 70 ASN H H 1 8.280 0.020 . 1 . . . . . 70 ASN H . 50017 1 302 . 1 . 1 70 70 ASN C C 13 175.216 0.3 . 1 . . . . . 70 ASN C . 50017 1 303 . 1 . 1 70 70 ASN CA C 13 53.516 0.3 . 1 . . . . . 70 ASN CA . 50017 1 304 . 1 . 1 70 70 ASN CB C 13 38.876 0.3 . 1 . . . . . 70 ASN CB . 50017 1 305 . 1 . 1 70 70 ASN N N 15 120.804 0.3 . 1 . . . . . 70 ASN N . 50017 1 306 . 1 . 1 71 71 PHE H H 1 8.099 0.020 . 1 . . . . . 71 PHE H . 50017 1 307 . 1 . 1 71 71 PHE C C 13 176.594 0.3 . 1 . . . . . 71 PHE C . 50017 1 308 . 1 . 1 71 71 PHE CA C 13 58.188 0.3 . 1 . . . . . 71 PHE CA . 50017 1 309 . 1 . 1 71 71 PHE CB C 13 39.391 0.3 . 1 . . . . . 71 PHE CB . 50017 1 310 . 1 . 1 71 71 PHE N N 15 121.435 0.3 . 1 . . . . . 71 PHE N . 50017 1 311 . 1 . 1 72 72 GLY H H 1 8.222 0.020 . 1 . . . . . 72 GLY H . 50017 1 312 . 1 . 1 72 72 GLY C C 13 174.917 0.3 . 1 . . . . . 72 GLY C . 50017 1 313 . 1 . 1 72 72 GLY CA C 13 45.598 0.3 . 1 . . . . . 72 GLY CA . 50017 1 314 . 1 . 1 72 72 GLY N N 15 111.329 0.3 . 1 . . . . . 72 GLY N . 50017 1 315 . 1 . 1 73 73 GLY H H 1 7.899 0.020 . 1 . . . . . 73 GLY H . 50017 1 316 . 1 . 1 73 73 GLY C C 13 174.968 0.3 . 1 . . . . . 73 GLY C . 50017 1 317 . 1 . 1 73 73 GLY CA C 13 45.482 0.3 . 1 . . . . . 73 GLY CA . 50017 1 318 . 1 . 1 73 73 GLY N N 15 109.263 0.3 . 1 . . . . . 73 GLY N . 50017 1 319 . 1 . 1 74 74 GLY H H 1 8.220 0.020 . 1 . . . . . 74 GLY H . 50017 1 320 . 1 . 1 74 74 GLY C C 13 175.004 0.3 . 1 . . . . . 74 GLY C . 50017 1 321 . 1 . 1 74 74 GLY CA C 13 45.562 0.3 . 1 . . . . . 74 GLY CA . 50017 1 322 . 1 . 1 74 74 GLY N N 15 109.572 0.3 . 1 . . . . . 74 GLY N . 50017 1 323 . 1 . 1 75 75 GLY H H 1 8.150 0.020 . 1 . . . . . 75 GLY H . 50017 1 324 . 1 . 1 75 75 GLY C C 13 173.933 0.3 . 1 . . . . . 75 GLY C . 50017 1 325 . 1 . 1 75 75 GLY CA C 13 45.374 0.3 . 1 . . . . . 75 GLY CA . 50017 1 326 . 1 . 1 75 75 GLY N N 15 109.226 0.3 . 1 . . . . . 75 GLY N . 50017 1 327 . 1 . 1 76 76 ASN H H 1 8.145 0.020 . 1 . . . . . 76 ASN H . 50017 1 328 . 1 . 1 76 76 ASN C C 13 175.218 0.3 . 1 . . . . . 76 ASN C . 50017 1 329 . 1 . 1 76 76 ASN CA C 13 53.266 0.3 . 1 . . . . . 76 ASN CA . 50017 1 330 . 1 . 1 76 76 ASN CB C 13 38.914 0.3 . 1 . . . . . 76 ASN CB . 50017 1 331 . 1 . 1 76 76 ASN N N 15 119.240 0.3 . 1 . . . . . 76 ASN N . 50017 1 332 . 1 . 1 77 77 TYR H H 1 8.059 0.020 . 1 . . . . . 77 TYR H . 50017 1 333 . 1 . 1 77 77 TYR C C 13 175.789 0.3 . 1 . . . . . 77 TYR C . 50017 1 334 . 1 . 1 77 77 TYR CA C 13 58.247 0.3 . 1 . . . . . 77 TYR CA . 50017 1 335 . 1 . 1 77 77 TYR CB C 13 38.823 0.3 . 1 . . . . . 77 TYR CB . 50017 1 336 . 1 . 1 77 77 TYR N N 15 121.427 0.3 . 1 . . . . . 77 TYR N . 50017 1 337 . 1 . 1 78 78 ASN H H 1 8.208 0.020 . 1 . . . . . 78 ASN H . 50017 1 338 . 1 . 1 78 78 ASN C C 13 175.094 0.3 . 1 . . . . . 78 ASN C . 50017 1 339 . 1 . 1 78 78 ASN CA C 13 53.517 0.3 . 1 . . . . . 78 ASN CA . 50017 1 340 . 1 . 1 78 78 ASN CB C 13 38.893 0.3 . 1 . . . . . 78 ASN CB . 50017 1 341 . 1 . 1 78 78 ASN N N 15 120.770 0.3 . 1 . . . . . 78 ASN N . 50017 1 342 . 1 . 1 79 79 ASN H H 1 8.179 0.020 . 1 . . . . . 79 ASN H . 50017 1 343 . 1 . 1 79 79 ASN C C 13 175.533 0.3 . 1 . . . . . 79 ASN C . 50017 1 344 . 1 . 1 79 79 ASN CA C 13 53.543 0.3 . 1 . . . . . 79 ASN CA . 50017 1 345 . 1 . 1 79 79 ASN CB C 13 38.686 0.3 . 1 . . . . . 79 ASN CB . 50017 1 346 . 1 . 1 79 79 ASN N N 15 119.837 0.3 . 1 . . . . . 79 ASN N . 50017 1 347 . 1 . 1 80 80 GLN H H 1 8.213 0.020 . 1 . . . . . 80 GLN H . 50017 1 348 . 1 . 1 80 80 GLN C C 13 176.415 0.3 . 1 . . . . . 80 GLN C . 50017 1 349 . 1 . 1 80 80 GLN CA C 13 56.358 0.3 . 1 . . . . . 80 GLN CA . 50017 1 350 . 1 . 1 80 80 GLN CB C 13 29.335 0.3 . 1 . . . . . 80 GLN CB . 50017 1 351 . 1 . 1 80 80 GLN N N 15 120.822 0.3 . 1 . . . . . 80 GLN N . 50017 1 352 . 1 . 1 81 81 SER H H 1 8.199 0.020 . 1 . . . . . 81 SER H . 50017 1 353 . 1 . 1 81 81 SER C C 13 174.943 0.3 . 1 . . . . . 81 SER C . 50017 1 354 . 1 . 1 81 81 SER CA C 13 58.896 0.3 . 1 . . . . . 81 SER CA . 50017 1 355 . 1 . 1 81 81 SER CB C 13 63.940 0.3 . 1 . . . . . 81 SER CB . 50017 1 356 . 1 . 1 81 81 SER N N 15 117.065 0.3 . 1 . . . . . 81 SER N . 50017 1 357 . 1 . 1 82 82 SER H H 1 8.158 0.020 . 1 . . . . . 82 SER H . 50017 1 358 . 1 . 1 82 82 SER C C 13 174.338 0.3 . 1 . . . . . 82 SER C . 50017 1 359 . 1 . 1 82 82 SER CA C 13 58.907 0.3 . 1 . . . . . 82 SER CA . 50017 1 360 . 1 . 1 82 82 SER CB C 13 63.957 0.3 . 1 . . . . . 82 SER CB . 50017 1 361 . 1 . 1 82 82 SER N N 15 118.052 0.3 . 1 . . . . . 82 SER N . 50017 1 362 . 1 . 1 83 83 ASN H H 1 8.172 0.020 . 1 . . . . . 83 ASN H . 50017 1 363 . 1 . 1 83 83 ASN C C 13 174.841 0.3 . 1 . . . . . 83 ASN C . 50017 1 364 . 1 . 1 83 83 ASN CA C 13 53.518 0.3 . 1 . . . . . 83 ASN CA . 50017 1 365 . 1 . 1 83 83 ASN CB C 13 38.783 0.3 . 1 . . . . . 83 ASN CB . 50017 1 366 . 1 . 1 83 83 ASN N N 15 120.934 0.3 . 1 . . . . . 83 ASN N . 50017 1 367 . 1 . 1 84 84 PHE H H 1 8.006 0.020 . 1 . . . . . 84 PHE H . 50017 1 368 . 1 . 1 84 84 PHE C C 13 175.981 0.3 . 1 . . . . . 84 PHE C . 50017 1 369 . 1 . 1 84 84 PHE CA C 13 57.797 0.3 . 1 . . . . . 84 PHE CA . 50017 1 370 . 1 . 1 84 84 PHE CB C 13 40.013 0.3 . 1 . . . . . 84 PHE CB . 50017 1 371 . 1 . 1 84 84 PHE N N 15 120.761 0.3 . 1 . . . . . 84 PHE N . 50017 1 372 . 1 . 1 85 85 GLY H H 1 8.008 0.020 . 1 . . . . . 85 GLY H . 50017 1 373 . 1 . 1 85 85 GLY C C 13 171.967 0.3 . 1 . . . . . 85 GLY C . 50017 1 374 . 1 . 1 85 85 GLY CA C 13 45.021 0.3 . 1 . . . . . 85 GLY CA . 50017 1 375 . 1 . 1 85 85 GLY N N 15 110.791 0.3 . 1 . . . . . 85 GLY N . 50017 1 376 . 1 . 1 87 87 MET H H 1 8.315 0.020 . 1 . . . . . 87 MET H . 50017 1 377 . 1 . 1 87 87 MET C C 13 176.497 0.3 . 1 . . . . . 87 MET C . 50017 1 378 . 1 . 1 87 87 MET CA C 13 55.794 0.3 . 1 . . . . . 87 MET CA . 50017 1 379 . 1 . 1 87 87 MET CB C 13 32.817 0.3 . 1 . . . . . 87 MET CB . 50017 1 380 . 1 . 1 87 87 MET N N 15 120.792 0.3 . 1 . . . . . 87 MET N . 50017 1 381 . 1 . 1 88 88 LYS H H 1 8.184 0.020 . 1 . . . . . 88 LYS H . 50017 1 382 . 1 . 1 88 88 LYS C C 13 177.106 0.3 . 1 . . . . . 88 LYS C . 50017 1 383 . 1 . 1 88 88 LYS CA C 13 56.500 0.3 . 1 . . . . . 88 LYS CA . 50017 1 384 . 1 . 1 88 88 LYS CB C 13 32.997 0.3 . 1 . . . . . 88 LYS CB . 50017 1 385 . 1 . 1 88 88 LYS N N 15 123.253 0.3 . 1 . . . . . 88 LYS N . 50017 1 386 . 1 . 1 89 89 GLY H H 1 8.300 0.020 . 1 . . . . . 89 GLY H . 50017 1 387 . 1 . 1 89 89 GLY C C 13 174.717 0.3 . 1 . . . . . 89 GLY C . 50017 1 388 . 1 . 1 89 89 GLY CA C 13 45.434 0.3 . 1 . . . . . 89 GLY CA . 50017 1 389 . 1 . 1 89 89 GLY N N 15 110.789 0.3 . 1 . . . . . 89 GLY N . 50017 1 390 . 1 . 1 90 90 GLY H H 1 8.081 0.020 . 1 . . . . . 90 GLY H . 50017 1 391 . 1 . 1 90 90 GLY C C 13 173.914 0.3 . 1 . . . . . 90 GLY C . 50017 1 392 . 1 . 1 90 90 GLY CA C 13 45.368 0.3 . 1 . . . . . 90 GLY CA . 50017 1 393 . 1 . 1 90 90 GLY N N 15 109.085 0.3 . 1 . . . . . 90 GLY N . 50017 1 394 . 1 . 1 91 91 ASN H H 1 8.177 0.020 . 1 . . . . . 91 ASN H . 50017 1 395 . 1 . 1 91 91 ASN C C 13 175.251 0.3 . 1 . . . . . 91 ASN C . 50017 1 396 . 1 . 1 91 91 ASN CA C 13 53.364 0.3 . 1 . . . . . 91 ASN CA . 50017 1 397 . 1 . 1 91 91 ASN CB C 13 38.884 0.3 . 1 . . . . . 91 ASN CB . 50017 1 398 . 1 . 1 91 91 ASN N N 15 119.294 0.3 . 1 . . . . . 91 ASN N . 50017 1 399 . 1 . 1 92 92 PHE H H 1 8.195 0.020 . 1 . . . . . 92 PHE H . 50017 1 400 . 1 . 1 92 92 PHE C C 13 176.616 0.3 . 1 . . . . . 92 PHE C . 50017 1 401 . 1 . 1 92 92 PHE CA C 13 58.007 0.3 . 1 . . . . . 92 PHE CA . 50017 1 402 . 1 . 1 92 92 PHE CB C 13 39.460 0.3 . 1 . . . . . 92 PHE CB . 50017 1 403 . 1 . 1 92 92 PHE N N 15 121.617 0.3 . 1 . . . . . 92 PHE N . 50017 1 404 . 1 . 1 93 93 GLY H H 1 8.275 0.020 . 1 . . . . . 93 GLY H . 50017 1 405 . 1 . 1 93 93 GLY C C 13 174.874 0.3 . 1 . . . . . 93 GLY C . 50017 1 406 . 1 . 1 93 93 GLY CA C 13 45.629 0.3 . 1 . . . . . 93 GLY CA . 50017 1 407 . 1 . 1 93 93 GLY N N 15 111.264 0.3 . 1 . . . . . 93 GLY N . 50017 1 408 . 1 . 1 94 94 GLY H H 1 7.927 0.020 . 1 . . . . . 94 GLY H . 50017 1 409 . 1 . 1 94 94 GLY C C 13 174.400 0.3 . 1 . . . . . 94 GLY C . 50017 1 410 . 1 . 1 94 94 GLY CA C 13 45.495 0.3 . 1 . . . . . 94 GLY CA . 50017 1 411 . 1 . 1 94 94 GLY N N 15 109.202 0.3 . 1 . . . . . 94 GLY N . 50017 1 412 . 1 . 1 95 95 ARG H H 1 8.075 0.020 . 1 . . . . . 95 ARG H . 50017 1 413 . 1 . 1 95 95 ARG C C 13 176.739 0.3 . 1 . . . . . 95 ARG C . 50017 1 414 . 1 . 1 95 95 ARG CA C 13 56.355 0.3 . 1 . . . . . 95 ARG CA . 50017 1 415 . 1 . 1 95 95 ARG CB C 13 31.013 0.3 . 1 . . . . . 95 ARG CB . 50017 1 416 . 1 . 1 95 95 ARG N N 15 121.131 0.3 . 1 . . . . . 95 ARG N . 50017 1 417 . 1 . 1 96 96 SER H H 1 8.327 0.020 . 1 . . . . . 96 SER H . 50017 1 418 . 1 . 1 96 96 SER C C 13 174.712 0.3 . 1 . . . . . 96 SER C . 50017 1 419 . 1 . 1 96 96 SER CA C 13 58.692 0.3 . 1 . . . . . 96 SER CA . 50017 1 420 . 1 . 1 96 96 SER CB C 13 64.078 0.3 . 1 . . . . . 96 SER CB . 50017 1 421 . 1 . 1 96 96 SER N N 15 117.731 0.3 . 1 . . . . . 96 SER N . 50017 1 422 . 1 . 1 97 97 SER H H 1 8.218 0.020 . 1 . . . . . 97 SER H . 50017 1 423 . 1 . 1 97 97 SER C C 13 174.721 0.3 . 1 . . . . . 97 SER C . 50017 1 424 . 1 . 1 97 97 SER CA C 13 58.891 0.3 . 1 . . . . . 97 SER CA . 50017 1 425 . 1 . 1 97 97 SER CB C 13 64.217 0.3 . 1 . . . . . 97 SER CB . 50017 1 426 . 1 . 1 97 97 SER N N 15 118.183 0.3 . 1 . . . . . 97 SER N . 50017 1 427 . 1 . 1 98 98 GLY H H 1 8.089 0.020 . 1 . . . . . 98 GLY H . 50017 1 428 . 1 . 1 98 98 GLY C C 13 172.299 0.3 . 1 . . . . . 98 GLY C . 50017 1 429 . 1 . 1 98 98 GLY CA C 13 44.954 0.3 . 1 . . . . . 98 GLY CA . 50017 1 430 . 1 . 1 98 98 GLY N N 15 111.049 0.3 . 1 . . . . . 98 GLY N . 50017 1 431 . 1 . 1 100 100 TYR H H 1 8.184 0.020 . 1 . . . . . 100 TYR H . 50017 1 432 . 1 . 1 100 100 TYR C C 13 176.763 0.3 . 1 . . . . . 100 TYR C . 50017 1 433 . 1 . 1 100 100 TYR CA C 13 58.019 0.3 . 1 . . . . . 100 TYR CA . 50017 1 434 . 1 . 1 100 100 TYR CB C 13 38.621 0.3 . 1 . . . . . 100 TYR CB . 50017 1 435 . 1 . 1 100 100 TYR N N 15 120.868 0.3 . 1 . . . . . 100 TYR N . 50017 1 436 . 1 . 1 101 101 GLY H H 1 8.084 0.020 . 1 . . . . . 101 GLY H . 50017 1 437 . 1 . 1 101 101 GLY C C 13 174.908 0.3 . 1 . . . . . 101 GLY C . 50017 1 438 . 1 . 1 101 101 GLY CA C 13 45.583 0.3 . 1 . . . . . 101 GLY CA . 50017 1 439 . 1 . 1 101 101 GLY N N 15 111.565 0.3 . 1 . . . . . 101 GLY N . 50017 1 440 . 1 . 1 102 102 GLY H H 1 7.836 0.020 . 1 . . . . . 102 GLY H . 50017 1 441 . 1 . 1 102 102 GLY C C 13 174.964 0.3 . 1 . . . . . 102 GLY C . 50017 1 442 . 1 . 1 102 102 GLY CA C 13 45.368 0.3 . 1 . . . . . 102 GLY CA . 50017 1 443 . 1 . 1 102 102 GLY N N 15 109.073 0.3 . 1 . . . . . 102 GLY N . 50017 1 444 . 1 . 1 103 103 GLY H H 1 8.217 0.020 . 1 . . . . . 103 GLY H . 50017 1 445 . 1 . 1 103 103 GLY C C 13 175.038 0.3 . 1 . . . . . 103 GLY C . 50017 1 446 . 1 . 1 103 103 GLY CA C 13 45.488 0.3 . 1 . . . . . 103 GLY CA . 50017 1 447 . 1 . 1 103 103 GLY N N 15 109.484 0.3 . 1 . . . . . 103 GLY N . 50017 1 448 . 1 . 1 104 104 GLY H H 1 8.193 0.020 . 1 . . . . . 104 GLY H . 50017 1 449 . 1 . 1 104 104 GLY C C 13 174.325 0.3 . 1 . . . . . 104 GLY C . 50017 1 450 . 1 . 1 104 104 GLY CA C 13 45.524 0.3 . 1 . . . . . 104 GLY CA . 50017 1 451 . 1 . 1 104 104 GLY N N 15 109.375 0.3 . 1 . . . . . 104 GLY N . 50017 1 452 . 1 . 1 105 105 GLN H H 1 8.100 0.020 . 1 . . . . . 105 GLN H . 50017 1 453 . 1 . 1 105 105 GLN C C 13 175.706 0.3 . 1 . . . . . 105 GLN C . 50017 1 454 . 1 . 1 105 105 GLN CA C 13 56.316 0.3 . 1 . . . . . 105 GLN CA . 50017 1 455 . 1 . 1 105 105 GLN CB C 13 29.600 0.3 . 1 . . . . . 105 GLN CB . 50017 1 456 . 1 . 1 105 105 GLN N N 15 120.417 0.3 . 1 . . . . . 105 GLN N . 50017 1 457 . 1 . 1 106 106 TYR H H 1 8.022 0.020 . 1 . . . . . 106 TYR H . 50017 1 458 . 1 . 1 106 106 TYR C C 13 175.364 0.3 . 1 . . . . . 106 TYR C . 50017 1 459 . 1 . 1 106 106 TYR CA C 13 58.030 0.3 . 1 . . . . . 106 TYR CA . 50017 1 460 . 1 . 1 106 106 TYR CB C 13 38.967 0.3 . 1 . . . . . 106 TYR CB . 50017 1 461 . 1 . 1 106 106 TYR N N 15 121.857 0.3 . 1 . . . . . 106 TYR N . 50017 1 462 . 1 . 1 107 107 PHE H H 1 7.846 0.020 . 1 . . . . . 107 PHE H . 50017 1 463 . 1 . 1 107 107 PHE C C 13 174.970 0.3 . 1 . . . . . 107 PHE C . 50017 1 464 . 1 . 1 107 107 PHE CA C 13 57.646 0.3 . 1 . . . . . 107 PHE CA . 50017 1 465 . 1 . 1 107 107 PHE CB C 13 40.007 0.3 . 1 . . . . . 107 PHE CB . 50017 1 466 . 1 . 1 107 107 PHE N N 15 122.630 0.3 . 1 . . . . . 107 PHE N . 50017 1 467 . 1 . 1 108 108 ALA H H 1 7.960 0.020 . 1 . . . . . 108 ALA H . 50017 1 468 . 1 . 1 108 108 ALA C C 13 177.092 0.3 . 1 . . . . . 108 ALA C . 50017 1 469 . 1 . 1 108 108 ALA CA C 13 52.233 0.3 . 1 . . . . . 108 ALA CA . 50017 1 470 . 1 . 1 108 108 ALA CB C 13 19.542 0.3 . 1 . . . . . 108 ALA CB . 50017 1 471 . 1 . 1 108 108 ALA N N 15 126.197 0.3 . 1 . . . . . 108 ALA N . 50017 1 472 . 1 . 1 109 109 LYS H H 1 8.008 0.020 . 1 . . . . . 109 LYS H . 50017 1 473 . 1 . 1 109 109 LYS C C 13 174.651 0.3 . 1 . . . . . 109 LYS C . 50017 1 474 . 1 . 1 109 109 LYS CA C 13 54.367 0.3 . 1 . . . . . 109 LYS CA . 50017 1 475 . 1 . 1 109 109 LYS CB C 13 32.750 0.3 . 1 . . . . . 109 LYS CB . 50017 1 476 . 1 . 1 109 109 LYS N N 15 122.501 0.3 . 1 . . . . . 109 LYS N . 50017 1 477 . 1 . 1 111 111 ARG H H 1 8.322 0.020 . 1 . . . . . 111 ARG H . 50017 1 478 . 1 . 1 111 111 ARG C C 13 176.468 0.3 . 1 . . . . . 111 ARG C . 50017 1 479 . 1 . 1 111 111 ARG CA C 13 56.331 0.3 . 1 . . . . . 111 ARG CA . 50017 1 480 . 1 . 1 111 111 ARG CB C 13 31.006 0.3 . 1 . . . . . 111 ARG CB . 50017 1 481 . 1 . 1 111 111 ARG N N 15 121.943 0.3 . 1 . . . . . 111 ARG N . 50017 1 482 . 1 . 1 112 112 ASN H H 1 8.365 0.020 . 1 . . . . . 112 ASN H . 50017 1 483 . 1 . 1 112 112 ASN C C 13 175.407 0.3 . 1 . . . . . 112 ASN C . 50017 1 484 . 1 . 1 112 112 ASN CA C 13 53.530 0.3 . 1 . . . . . 112 ASN CA . 50017 1 485 . 1 . 1 112 112 ASN CB C 13 38.890 0.3 . 1 . . . . . 112 ASN CB . 50017 1 486 . 1 . 1 112 112 ASN N N 15 120.030 0.3 . 1 . . . . . 112 ASN N . 50017 1 487 . 1 . 1 113 113 GLN H H 1 8.313 0.020 . 1 . . . . . 113 GLN H . 50017 1 488 . 1 . 1 113 113 GLN C C 13 176.543 0.3 . 1 . . . . . 113 GLN C . 50017 1 489 . 1 . 1 113 113 GLN CA C 13 56.303 0.3 . 1 . . . . . 113 GLN CA . 50017 1 490 . 1 . 1 113 113 GLN CB C 13 29.647 0.3 . 1 . . . . . 113 GLN CB . 50017 1 491 . 1 . 1 113 113 GLN N N 15 121.577 0.3 . 1 . . . . . 113 GLN N . 50017 1 492 . 1 . 1 114 114 GLY H H 1 8.322 0.020 . 1 . . . . . 114 GLY H . 50017 1 493 . 1 . 1 114 114 GLY C C 13 174.699 0.3 . 1 . . . . . 114 GLY C . 50017 1 494 . 1 . 1 114 114 GLY CA C 13 45.562 0.3 . 1 . . . . . 114 GLY CA . 50017 1 495 . 1 . 1 114 114 GLY N N 15 110.534 0.3 . 1 . . . . . 114 GLY N . 50017 1 496 . 1 . 1 115 115 GLY H H 1 8.070 0.020 . 1 . . . . . 115 GLY H . 50017 1 497 . 1 . 1 115 115 GLY C C 13 174.168 0.3 . 1 . . . . . 115 GLY C . 50017 1 498 . 1 . 1 115 115 GLY CA C 13 45.368 0.3 . 1 . . . . . 115 GLY CA . 50017 1 499 . 1 . 1 115 115 GLY N N 15 109.266 0.3 . 1 . . . . . 115 GLY N . 50017 1 500 . 1 . 1 116 116 TYR H H 1 8.075 0.020 . 1 . . . . . 116 TYR H . 50017 1 501 . 1 . 1 116 116 TYR C C 13 176.762 0.3 . 1 . . . . . 116 TYR C . 50017 1 502 . 1 . 1 116 116 TYR CA C 13 58.297 0.3 . 1 . . . . . 116 TYR CA . 50017 1 503 . 1 . 1 116 116 TYR CB C 13 38.900 0.3 . 1 . . . . . 116 TYR CB . 50017 1 504 . 1 . 1 116 116 TYR N N 15 120.997 0.3 . 1 . . . . . 116 TYR N . 50017 1 505 . 1 . 1 117 117 GLY H H 1 8.348 0.020 . 1 . . . . . 117 GLY H . 50017 1 506 . 1 . 1 117 117 GLY C C 13 174.844 0.3 . 1 . . . . . 117 GLY C . 50017 1 507 . 1 . 1 117 117 GLY CA C 13 45.444 0.3 . 1 . . . . . 117 GLY CA . 50017 1 508 . 1 . 1 117 117 GLY N N 15 112.116 0.3 . 1 . . . . . 117 GLY N . 50017 1 509 . 1 . 1 118 118 GLY H H 1 7.825 0.020 . 1 . . . . . 118 GLY H . 50017 1 510 . 1 . 1 118 118 GLY C C 13 174.444 0.3 . 1 . . . . . 118 GLY C . 50017 1 511 . 1 . 1 118 118 GLY CA C 13 45.474 0.3 . 1 . . . . . 118 GLY CA . 50017 1 512 . 1 . 1 118 118 GLY N N 15 109.285 0.3 . 1 . . . . . 118 GLY N . 50017 1 513 . 1 . 1 119 119 SER H H 1 8.192 0.020 . 1 . . . . . 119 SER H . 50017 1 514 . 1 . 1 119 119 SER C C 13 175.170 0.3 . 1 . . . . . 119 SER C . 50017 1 515 . 1 . 1 119 119 SER CA C 13 58.632 0.3 . 1 . . . . . 119 SER CA . 50017 1 516 . 1 . 1 119 119 SER CB C 13 64.075 0.3 . 1 . . . . . 119 SER CB . 50017 1 517 . 1 . 1 119 119 SER N N 15 116.391 0.3 . 1 . . . . . 119 SER N . 50017 1 518 . 1 . 1 120 120 SER H H 1 8.365 0.020 . 1 . . . . . 120 SER H . 50017 1 519 . 1 . 1 120 120 SER C C 13 174.977 0.3 . 1 . . . . . 120 SER C . 50017 1 520 . 1 . 1 120 120 SER CA C 13 58.853 0.3 . 1 . . . . . 120 SER CA . 50017 1 521 . 1 . 1 120 120 SER CB C 13 63.960 0.3 . 1 . . . . . 120 SER CB . 50017 1 522 . 1 . 1 120 120 SER N N 15 118.634 0.3 . 1 . . . . . 120 SER N . 50017 1 523 . 1 . 1 121 121 SER H H 1 8.270 0.020 . 1 . . . . . 121 SER H . 50017 1 524 . 1 . 1 121 121 SER C C 13 175.013 0.3 . 1 . . . . . 121 SER C . 50017 1 525 . 1 . 1 121 121 SER CA C 13 58.874 0.3 . 1 . . . . . 121 SER CA . 50017 1 526 . 1 . 1 121 121 SER CB C 13 63.963 0.3 . 1 . . . . . 121 SER CB . 50017 1 527 . 1 . 1 121 121 SER N N 15 118.397 0.3 . 1 . . . . . 121 SER N . 50017 1 528 . 1 . 1 122 122 SER H H 1 8.225 0.020 . 1 . . . . . 122 SER H . 50017 1 529 . 1 . 1 122 122 SER C C 13 175.177 0.3 . 1 . . . . . 122 SER C . 50017 1 530 . 1 . 1 122 122 SER CA C 13 58.869 0.3 . 1 . . . . . 122 SER CA . 50017 1 531 . 1 . 1 122 122 SER CB C 13 63.965 0.3 . 1 . . . . . 122 SER CB . 50017 1 532 . 1 . 1 122 122 SER N N 15 118.421 0.3 . 1 . . . . . 122 SER N . 50017 1 533 . 1 . 1 123 123 SER H H 1 8.200 0.020 . 1 . . . . . 123 SER H . 50017 1 534 . 1 . 1 123 123 SER C C 13 174.880 0.3 . 1 . . . . . 123 SER C . 50017 1 535 . 1 . 1 123 123 SER CA C 13 58.983 0.3 . 1 . . . . . 123 SER CA . 50017 1 536 . 1 . 1 123 123 SER CB C 13 63.981 0.3 . 1 . . . . . 123 SER CB . 50017 1 537 . 1 . 1 123 123 SER N N 15 118.427 0.3 . 1 . . . . . 123 SER N . 50017 1 538 . 1 . 1 124 124 SER H H 1 8.146 0.020 . 1 . . . . . 124 SER H . 50017 1 539 . 1 . 1 124 124 SER C C 13 174.522 0.3 . 1 . . . . . 124 SER C . 50017 1 540 . 1 . 1 124 124 SER CA C 13 58.866 0.3 . 1 . . . . . 124 SER CA . 50017 1 541 . 1 . 1 124 124 SER CB C 13 63.935 0.3 . 1 . . . . . 124 SER CB . 50017 1 542 . 1 . 1 124 124 SER N N 15 118.354 0.3 . 1 . . . . . 124 SER N . 50017 1 543 . 1 . 1 125 125 TYR H H 1 8.056 0.020 . 1 . . . . . 125 TYR H . 50017 1 544 . 1 . 1 125 125 TYR C C 13 176.690 0.3 . 1 . . . . . 125 TYR C . 50017 1 545 . 1 . 1 125 125 TYR CA C 13 58.583 0.3 . 1 . . . . . 125 TYR CA . 50017 1 546 . 1 . 1 125 125 TYR CB C 13 38.886 0.3 . 1 . . . . . 125 TYR CB . 50017 1 547 . 1 . 1 125 125 TYR N N 15 122.867 0.3 . 1 . . . . . 125 TYR N . 50017 1 548 . 1 . 1 126 126 GLY H H 1 8.179 0.020 . 1 . . . . . 126 GLY H . 50017 1 549 . 1 . 1 126 126 GLY C C 13 174.531 0.3 . 1 . . . . . 126 GLY C . 50017 1 550 . 1 . 1 126 126 GLY CA C 13 45.517 0.3 . 1 . . . . . 126 GLY CA . 50017 1 551 . 1 . 1 126 126 GLY N N 15 111.393 0.3 . 1 . . . . . 126 GLY N . 50017 1 552 . 1 . 1 127 127 SER H H 1 8.137 0.020 . 1 . . . . . 127 SER H . 50017 1 553 . 1 . 1 127 127 SER C C 13 175.351 0.3 . 1 . . . . . 127 SER C . 50017 1 554 . 1 . 1 127 127 SER CA C 13 58.892 0.3 . 1 . . . . . 127 SER CA . 50017 1 555 . 1 . 1 127 127 SER CB C 13 63.953 0.3 . 1 . . . . . 127 SER CB . 50017 1 556 . 1 . 1 127 127 SER N N 15 116.571 0.3 . 1 . . . . . 127 SER N . 50017 1 557 . 1 . 1 128 128 GLY H H 1 8.351 0.020 . 1 . . . . . 128 GLY H . 50017 1 558 . 1 . 1 128 128 GLY C C 13 174.036 0.3 . 1 . . . . . 128 GLY C . 50017 1 559 . 1 . 1 128 128 GLY CA C 13 45.424 0.3 . 1 . . . . . 128 GLY CA . 50017 1 560 . 1 . 1 128 128 GLY N N 15 111.522 0.3 . 1 . . . . . 128 GLY N . 50017 1 561 . 1 . 1 129 129 ARG H H 1 7.941 0.020 . 1 . . . . . 129 ARG H . 50017 1 562 . 1 . 1 129 129 ARG C C 13 176.119 0.3 . 1 . . . . . 129 ARG C . 50017 1 563 . 1 . 1 129 129 ARG CA C 13 56.243 0.3 . 1 . . . . . 129 ARG CA . 50017 1 564 . 1 . 1 129 129 ARG CB C 13 31.253 0.3 . 1 . . . . . 129 ARG CB . 50017 1 565 . 1 . 1 129 129 ARG N N 15 121.384 0.3 . 1 . . . . . 129 ARG N . 50017 1 566 . 1 . 1 130 130 ARG H H 1 8.246 0.020 . 1 . . . . . 130 ARG H . 50017 1 567 . 1 . 1 130 130 ARG C C 13 175.126 0.3 . 1 . . . . . 130 ARG C . 50017 1 568 . 1 . 1 130 130 ARG CA C 13 56.219 0.3 . 1 . . . . . 130 ARG CA . 50017 1 569 . 1 . 1 130 130 ARG CB C 13 31.134 0.3 . 1 . . . . . 130 ARG CB . 50017 1 570 . 1 . 1 130 130 ARG N N 15 123.898 0.3 . 1 . . . . . 130 ARG N . 50017 1 571 . 1 . 1 131 131 PHE H H 1 7.628 0.020 . 1 . . . . . 131 PHE H . 50017 1 572 . 1 . 1 131 131 PHE C C 13 180.317 0.3 . 1 . . . . . 131 PHE C . 50017 1 573 . 1 . 1 131 131 PHE CA C 13 59.137 0.3 . 1 . . . . . 131 PHE CA . 50017 1 574 . 1 . 1 131 131 PHE CB C 13 40.478 0.3 . 1 . . . . . 131 PHE CB . 50017 1 575 . 1 . 1 131 131 PHE N N 15 126.364 0.3 . 1 . . . . . 131 PHE N . 50017 1 stop_ save_