data_27894 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27894 _Entry.Title ; Backbone assignment of human FOXO1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-05-08 _Entry.Accession_date 2019-05-08 _Entry.Last_release_date 2019-05-08 _Entry.Original_release_date 2019-05-08 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Janosch Hennig . . . . 27894 2 'Nele Merret' Hollmann . . . . 27894 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'EMBL Heidelberg' . 27894 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27894 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 198 27894 '15N chemical shifts' 106 27894 '1H chemical shifts' 106 27894 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 . . 2020-02-26 . original BMRB . 27894 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 27894 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31913281 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Mechanistic insights into transcription factor cooperativity and its impact on protein-phenotype interactions ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 11 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 124 _Citation.Page_last 124 _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 Ignacio Ibarra . L. . . 27894 1 2 'Nele Merret' Hollmann . . . . 27894 1 3 Bernd Klaus . . . . 27894 1 4 Sandra Augsten . A. . . 27894 1 5 Britta Velten . . . . 27894 1 6 Janosch Hennig . . . . 27894 1 7 Judith Zaugg . B. . . 27894 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27894 _Assembly.ID 1 _Assembly.Name FOXO1 _Assembly.BMRB_code . _Assembly.Number_of_components . _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 FOXO1 1 $FOXO1 A . yes native no no . . . 27894 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FOXO1 _Entity.Sf_category entity _Entity.Sf_framecode FOXO1 _Entity.Entry_ID 27894 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FOXO1 _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 ; GPGPLAGQPRKSSSSRRNAW GNLSYADLITKAIESSAEKR LTLSQIYEWMVKSVPYFKDK GDSNSSAGWKNSIRHNLSLH SKFIRVQNEGTGKSSWWMLN PEGGKSGKSPRRRAASMDNN SKFAKSRSRA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _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 130 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'DNA binding regions' _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 . 27894 1 2 . PRO . 27894 1 3 . GLY . 27894 1 4 . PRO . 27894 1 5 . LEU . 27894 1 6 . ALA . 27894 1 7 . GLY . 27894 1 8 . GLN . 27894 1 9 . PRO . 27894 1 10 . ARG . 27894 1 11 . LYS . 27894 1 12 . SER . 27894 1 13 . SER . 27894 1 14 . SER . 27894 1 15 . SER . 27894 1 16 . ARG . 27894 1 17 . ARG . 27894 1 18 . ASN . 27894 1 19 . ALA . 27894 1 20 . TRP . 27894 1 21 . GLY . 27894 1 22 . ASN . 27894 1 23 . LEU . 27894 1 24 . SER . 27894 1 25 . TYR . 27894 1 26 . ALA . 27894 1 27 . ASP . 27894 1 28 . LEU . 27894 1 29 . ILE . 27894 1 30 . THR . 27894 1 31 . LYS . 27894 1 32 . ALA . 27894 1 33 . ILE . 27894 1 34 . GLU . 27894 1 35 . SER . 27894 1 36 . SER . 27894 1 37 . ALA . 27894 1 38 . GLU . 27894 1 39 . LYS . 27894 1 40 . ARG . 27894 1 41 . LEU . 27894 1 42 . THR . 27894 1 43 . LEU . 27894 1 44 . SER . 27894 1 45 . GLN . 27894 1 46 . ILE . 27894 1 47 . TYR . 27894 1 48 . GLU . 27894 1 49 . TRP . 27894 1 50 . MET . 27894 1 51 . VAL . 27894 1 52 . LYS . 27894 1 53 . SER . 27894 1 54 . VAL . 27894 1 55 . PRO . 27894 1 56 . TYR . 27894 1 57 . PHE . 27894 1 58 . LYS . 27894 1 59 . ASP . 27894 1 60 . LYS . 27894 1 61 . GLY . 27894 1 62 . ASP . 27894 1 63 . SER . 27894 1 64 . ASN . 27894 1 65 . SER . 27894 1 66 . SER . 27894 1 67 . ALA . 27894 1 68 . GLY . 27894 1 69 . TRP . 27894 1 70 . LYS . 27894 1 71 . ASN . 27894 1 72 . SER . 27894 1 73 . ILE . 27894 1 74 . ARG . 27894 1 75 . HIS . 27894 1 76 . ASN . 27894 1 77 . LEU . 27894 1 78 . SER . 27894 1 79 . LEU . 27894 1 80 . HIS . 27894 1 81 . SER . 27894 1 82 . LYS . 27894 1 83 . PHE . 27894 1 84 . ILE . 27894 1 85 . ARG . 27894 1 86 . VAL . 27894 1 87 . GLN . 27894 1 88 . ASN . 27894 1 89 . GLU . 27894 1 90 . GLY . 27894 1 91 . THR . 27894 1 92 . GLY . 27894 1 93 . LYS . 27894 1 94 . SER . 27894 1 95 . SER . 27894 1 96 . TRP . 27894 1 97 . TRP . 27894 1 98 . MET . 27894 1 99 . LEU . 27894 1 100 . ASN . 27894 1 101 . PRO . 27894 1 102 . GLU . 27894 1 103 . GLY . 27894 1 104 . GLY . 27894 1 105 . LYS . 27894 1 106 . SER . 27894 1 107 . GLY . 27894 1 108 . LYS . 27894 1 109 . SER . 27894 1 110 . PRO . 27894 1 111 . ARG . 27894 1 112 . ARG . 27894 1 113 . ARG . 27894 1 114 . ALA . 27894 1 115 . ALA . 27894 1 116 . SER . 27894 1 117 . MET . 27894 1 118 . ASP . 27894 1 119 . ASN . 27894 1 120 . ASN . 27894 1 121 . SER . 27894 1 122 . LYS . 27894 1 123 . PHE . 27894 1 124 . ALA . 27894 1 125 . LYS . 27894 1 126 . SER . 27894 1 127 . ARG . 27894 1 128 . SER . 27894 1 129 . ARG . 27894 1 130 . ALA . 27894 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 27894 1 . PRO 2 2 27894 1 . GLY 3 3 27894 1 . PRO 4 4 27894 1 . LEU 5 5 27894 1 . ALA 6 6 27894 1 . GLY 7 7 27894 1 . GLN 8 8 27894 1 . PRO 9 9 27894 1 . ARG 10 10 27894 1 . LYS 11 11 27894 1 . SER 12 12 27894 1 . SER 13 13 27894 1 . SER 14 14 27894 1 . SER 15 15 27894 1 . ARG 16 16 27894 1 . ARG 17 17 27894 1 . ASN 18 18 27894 1 . ALA 19 19 27894 1 . TRP 20 20 27894 1 . GLY 21 21 27894 1 . ASN 22 22 27894 1 . LEU 23 23 27894 1 . SER 24 24 27894 1 . TYR 25 25 27894 1 . ALA 26 26 27894 1 . ASP 27 27 27894 1 . LEU 28 28 27894 1 . ILE 29 29 27894 1 . THR 30 30 27894 1 . LYS 31 31 27894 1 . ALA 32 32 27894 1 . ILE 33 33 27894 1 . GLU 34 34 27894 1 . SER 35 35 27894 1 . SER 36 36 27894 1 . ALA 37 37 27894 1 . GLU 38 38 27894 1 . LYS 39 39 27894 1 . ARG 40 40 27894 1 . LEU 41 41 27894 1 . THR 42 42 27894 1 . LEU 43 43 27894 1 . SER 44 44 27894 1 . GLN 45 45 27894 1 . ILE 46 46 27894 1 . TYR 47 47 27894 1 . GLU 48 48 27894 1 . TRP 49 49 27894 1 . MET 50 50 27894 1 . VAL 51 51 27894 1 . LYS 52 52 27894 1 . SER 53 53 27894 1 . VAL 54 54 27894 1 . PRO 55 55 27894 1 . TYR 56 56 27894 1 . PHE 57 57 27894 1 . LYS 58 58 27894 1 . ASP 59 59 27894 1 . LYS 60 60 27894 1 . GLY 61 61 27894 1 . ASP 62 62 27894 1 . SER 63 63 27894 1 . ASN 64 64 27894 1 . SER 65 65 27894 1 . SER 66 66 27894 1 . ALA 67 67 27894 1 . GLY 68 68 27894 1 . TRP 69 69 27894 1 . LYS 70 70 27894 1 . ASN 71 71 27894 1 . SER 72 72 27894 1 . ILE 73 73 27894 1 . ARG 74 74 27894 1 . HIS 75 75 27894 1 . ASN 76 76 27894 1 . LEU 77 77 27894 1 . SER 78 78 27894 1 . LEU 79 79 27894 1 . HIS 80 80 27894 1 . SER 81 81 27894 1 . LYS 82 82 27894 1 . PHE 83 83 27894 1 . ILE 84 84 27894 1 . ARG 85 85 27894 1 . VAL 86 86 27894 1 . GLN 87 87 27894 1 . ASN 88 88 27894 1 . GLU 89 89 27894 1 . GLY 90 90 27894 1 . THR 91 91 27894 1 . GLY 92 92 27894 1 . LYS 93 93 27894 1 . SER 94 94 27894 1 . SER 95 95 27894 1 . TRP 96 96 27894 1 . TRP 97 97 27894 1 . MET 98 98 27894 1 . LEU 99 99 27894 1 . ASN 100 100 27894 1 . PRO 101 101 27894 1 . GLU 102 102 27894 1 . GLY 103 103 27894 1 . GLY 104 104 27894 1 . LYS 105 105 27894 1 . SER 106 106 27894 1 . GLY 107 107 27894 1 . LYS 108 108 27894 1 . SER 109 109 27894 1 . PRO 110 110 27894 1 . ARG 111 111 27894 1 . ARG 112 112 27894 1 . ARG 113 113 27894 1 . ALA 114 114 27894 1 . ALA 115 115 27894 1 . SER 116 116 27894 1 . MET 117 117 27894 1 . ASP 118 118 27894 1 . ASN 119 119 27894 1 . ASN 120 120 27894 1 . SER 121 121 27894 1 . LYS 122 122 27894 1 . PHE 123 123 27894 1 . ALA 124 124 27894 1 . LYS 125 125 27894 1 . SER 126 126 27894 1 . ARG 127 127 27894 1 . SER 128 128 27894 1 . ARG 129 129 27894 1 . ALA 130 130 27894 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27894 _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 $FOXO1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27894 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27894 _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 $FOXO1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Bl21 . . . . . pETM-22 . . . 27894 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27894 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 FOXO1 '[U-99% 13C; U-99% 15N]' . . 1 $FOXO1 . . 0.25 . . mM . . . . 27894 1 2 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 27894 1 3 bis-TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 27894 1 4 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 27894 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 27894 _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 'ionic strength' 0.15 . M 27894 1 pH 6.5 . pH 27894 1 pressure 1 . atm 27894 1 temperature 298 . K 27894 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 27894 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Fred Damberger' . . 27894 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27894 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27894 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27894 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 27894 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27894 _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 $spectrometer_1 . . . . . . . . . . . . . . . . 27894 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27894 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27894 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27894 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27894 _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 water protons . . . . ppm 4.773 internal direct . . . . . . 27894 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . 27894 1 N 15 water protons . . . . ppm 4.773 internal direct . . . . . . 27894 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27894 _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 $chemical_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' . . . 27894 1 2 '3D HNCA' . . . 27894 1 3 '3D CBCA(CO)NH' . . . 27894 1 4 '3D HNCACB' . . . 27894 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 1 1 GLY H H 1 8.370 0.020 . 1 . . . . . 1 GLY H . 27894 1 2 . 1 . 1 1 1 GLY CA C 13 44.406 0.3 . 1 . . . . . 1 GLY CA . 27894 1 3 . 1 . 1 1 1 GLY N N 15 109.727 0.3 . 1 . . . . . 1 GLY N . 27894 1 4 . 1 . 1 3 3 GLY H H 1 8.324 0.020 . 1 . . . . . 3 GLY H . 27894 1 5 . 1 . 1 3 3 GLY CA C 13 44.016 0.3 . 1 . . . . . 3 GLY CA . 27894 1 6 . 1 . 1 3 3 GLY N N 15 109.119 0.3 . 1 . . . . . 3 GLY N . 27894 1 7 . 1 . 1 5 5 LEU H H 1 8.333 0.020 . 1 . . . . . 5 LEU H . 27894 1 8 . 1 . 1 5 5 LEU CA C 13 54.979 0.3 . 1 . . . . . 5 LEU CA . 27894 1 9 . 1 . 1 5 5 LEU CB C 13 41.867 0.3 . 1 . . . . . 5 LEU CB . 27894 1 10 . 1 . 1 5 5 LEU N N 15 122.058 0.3 . 1 . . . . . 5 LEU N . 27894 1 11 . 1 . 1 6 6 ALA H H 1 8.168 0.020 . 1 . . . . . 6 ALA H . 27894 1 12 . 1 . 1 6 6 ALA CA C 13 52.594 0.3 . 1 . . . . . 6 ALA CA . 27894 1 13 . 1 . 1 6 6 ALA CB C 13 19.011 0.3 . 1 . . . . . 6 ALA CB . 27894 1 14 . 1 . 1 6 6 ALA N N 15 124.645 0.3 . 1 . . . . . 6 ALA N . 27894 1 15 . 1 . 1 7 7 GLY H H 1 8.290 0.020 . 1 . . . . . 7 GLY H . 27894 1 16 . 1 . 1 7 7 GLY CA C 13 44.980 0.3 . 1 . . . . . 7 GLY CA . 27894 1 17 . 1 . 1 7 7 GLY N N 15 107.925 0.3 . 1 . . . . . 7 GLY N . 27894 1 18 . 1 . 1 8 8 GLN H H 1 8.084 0.020 . 1 . . . . . 8 GLN H . 27894 1 19 . 1 . 1 8 8 GLN CA C 13 53.534 0.3 . 1 . . . . . 8 GLN CA . 27894 1 20 . 1 . 1 8 8 GLN CB C 13 28.654 0.3 . 1 . . . . . 8 GLN CB . 27894 1 21 . 1 . 1 8 8 GLN N N 15 120.464 0.3 . 1 . . . . . 8 GLN N . 27894 1 22 . 1 . 1 10 10 ARG H H 1 8.445 0.020 . 1 . . . . . 10 ARG H . 27894 1 23 . 1 . 1 10 10 ARG CA C 13 55.920 0.3 . 1 . . . . . 10 ARG CA . 27894 1 24 . 1 . 1 10 10 ARG CB C 13 30.909 0.3 . 1 . . . . . 10 ARG CB . 27894 1 25 . 1 . 1 10 10 ARG N N 15 121.704 0.3 . 1 . . . . . 10 ARG N . 27894 1 26 . 1 . 1 11 11 LYS H H 1 8.418 0.020 . 1 . . . . . 11 LYS H . 27894 1 27 . 1 . 1 11 11 LYS CA C 13 56.011 0.3 . 1 . . . . . 11 LYS CA . 27894 1 28 . 1 . 1 11 11 LYS N N 15 123.233 0.3 . 1 . . . . . 11 LYS N . 27894 1 29 . 1 . 1 12 12 SER H H 1 8.197 0.020 . 1 . . . . . 12 SER H . 27894 1 30 . 1 . 1 12 12 SER CA C 13 58.351 0.3 . 1 . . . . . 12 SER CA . 27894 1 31 . 1 . 1 12 12 SER CB C 13 63.407 0.3 . 1 . . . . . 12 SER CB . 27894 1 32 . 1 . 1 12 12 SER N N 15 116.335 0.3 . 1 . . . . . 12 SER N . 27894 1 33 . 1 . 1 19 19 ALA H H 1 8.370 0.020 . 1 . . . . . 19 ALA H . 27894 1 34 . 1 . 1 19 19 ALA CA C 13 52.456 0.3 . 1 . . . . . 19 ALA CA . 27894 1 35 . 1 . 1 19 19 ALA CB C 13 19.011 0.3 . 1 . . . . . 19 ALA CB . 27894 1 36 . 1 . 1 19 19 ALA N N 15 125.083 0.3 . 1 . . . . . 19 ALA N . 27894 1 37 . 1 . 1 20 20 TRP H H 1 7.095 0.020 . 1 . . . . . 20 TRP H . 27894 1 38 . 1 . 1 20 20 TRP CA C 13 56.791 0.3 . 1 . . . . . 20 TRP CA . 27894 1 39 . 1 . 1 20 20 TRP CB C 13 28.592 0.3 . 1 . . . . . 20 TRP CB . 27894 1 40 . 1 . 1 20 20 TRP N N 15 114.352 0.3 . 1 . . . . . 20 TRP N . 27894 1 41 . 1 . 1 21 21 GLY H H 1 7.568 0.020 . 1 . . . . . 21 GLY H . 27894 1 42 . 1 . 1 21 21 GLY CA C 13 45.140 0.3 . 1 . . . . . 21 GLY CA . 27894 1 43 . 1 . 1 21 21 GLY N N 15 109.890 0.3 . 1 . . . . . 21 GLY N . 27894 1 44 . 1 . 1 23 23 LEU H H 1 7.640 0.020 . 1 . . . . . 23 LEU H . 27894 1 45 . 1 . 1 23 23 LEU CA C 13 54.750 0.3 . 1 . . . . . 23 LEU CA . 27894 1 46 . 1 . 1 23 23 LEU CB C 13 42.681 0.3 . 1 . . . . . 23 LEU CB . 27894 1 47 . 1 . 1 23 23 LEU N N 15 120.754 0.3 . 1 . . . . . 23 LEU N . 27894 1 48 . 1 . 1 24 24 SER H H 1 9.041 0.020 . 1 . . . . . 24 SER H . 27894 1 49 . 1 . 1 24 24 SER CA C 13 56.539 0.3 . 1 . . . . . 24 SER CA . 27894 1 50 . 1 . 1 24 24 SER CB C 13 64.785 0.3 . 1 . . . . . 24 SER CB . 27894 1 51 . 1 . 1 24 24 SER N N 15 118.435 0.3 . 1 . . . . . 24 SER N . 27894 1 52 . 1 . 1 25 25 TYR H H 1 8.838 0.020 . 1 . . . . . 25 TYR H . 27894 1 53 . 1 . 1 25 25 TYR CA C 13 63.305 0.3 . 1 . . . . . 25 TYR CA . 27894 1 54 . 1 . 1 25 25 TYR CB C 13 38.297 0.3 . 1 . . . . . 25 TYR CB . 27894 1 55 . 1 . 1 25 25 TYR N N 15 120.372 0.3 . 1 . . . . . 25 TYR N . 27894 1 56 . 1 . 1 26 26 ALA H H 1 8.677 0.020 . 1 . . . . . 26 ALA H . 27894 1 57 . 1 . 1 26 26 ALA CA C 13 55.851 0.3 . 1 . . . . . 26 ALA CA . 27894 1 58 . 1 . 1 26 26 ALA CB C 13 17.195 0.3 . 1 . . . . . 26 ALA CB . 27894 1 59 . 1 . 1 26 26 ALA N N 15 119.633 0.3 . 1 . . . . . 26 ALA N . 27894 1 60 . 1 . 1 27 27 ASP H H 1 8.100 0.020 . 1 . . . . . 27 ASP H . 27894 1 61 . 1 . 1 27 27 ASP CA C 13 57.411 0.3 . 1 . . . . . 27 ASP CA . 27894 1 62 . 1 . 1 27 27 ASP CB C 13 40.802 0.3 . 1 . . . . . 27 ASP CB . 27894 1 63 . 1 . 1 27 27 ASP N N 15 121.301 0.3 . 1 . . . . . 27 ASP N . 27894 1 64 . 1 . 1 28 28 LEU H H 1 8.122 0.020 . 1 . . . . . 28 LEU H . 27894 1 65 . 1 . 1 28 28 LEU CA C 13 58.122 0.3 . 1 . . . . . 28 LEU CA . 27894 1 66 . 1 . 1 28 28 LEU CB C 13 42.305 0.3 . 1 . . . . . 28 LEU CB . 27894 1 67 . 1 . 1 28 28 LEU N N 15 121.857 0.3 . 1 . . . . . 28 LEU N . 27894 1 68 . 1 . 1 29 29 ILE H H 1 8.470 0.020 . 1 . . . . . 29 ILE H . 27894 1 69 . 1 . 1 29 29 ILE CA C 13 65.599 0.3 . 1 . . . . . 29 ILE CA . 27894 1 70 . 1 . 1 29 29 ILE CB C 13 37.859 0.3 . 1 . . . . . 29 ILE CB . 27894 1 71 . 1 . 1 29 29 ILE N N 15 118.682 0.3 . 1 . . . . . 29 ILE N . 27894 1 72 . 1 . 1 30 30 THR H H 1 7.844 0.020 . 1 . . . . . 30 THR H . 27894 1 73 . 1 . 1 30 30 THR CA C 13 67.392 0.3 . 1 . . . . . 30 THR CA . 27894 1 74 . 1 . 1 30 30 THR CB C 13 68.855 0.3 . 1 . . . . . 30 THR CB . 27894 1 75 . 1 . 1 30 30 THR N N 15 114.919 0.3 . 1 . . . . . 30 THR N . 27894 1 76 . 1 . 1 31 31 LYS H H 1 7.539 0.020 . 1 . . . . . 31 LYS H . 27894 1 77 . 1 . 1 31 31 LYS CA C 13 58.950 0.3 . 1 . . . . . 31 LYS CA . 27894 1 78 . 1 . 1 31 31 LYS CB C 13 32.098 0.3 . 1 . . . . . 31 LYS CB . 27894 1 79 . 1 . 1 31 31 LYS N N 15 120.324 0.3 . 1 . . . . . 31 LYS N . 27894 1 80 . 1 . 1 32 32 ALA H H 1 7.463 0.020 . 1 . . . . . 32 ALA H . 27894 1 81 . 1 . 1 32 32 ALA CA C 13 54.406 0.3 . 1 . . . . . 32 ALA CA . 27894 1 82 . 1 . 1 32 32 ALA CB C 13 16.945 0.3 . 1 . . . . . 32 ALA CB . 27894 1 83 . 1 . 1 32 32 ALA N N 15 123.161 0.3 . 1 . . . . . 32 ALA N . 27894 1 84 . 1 . 1 33 33 ILE H H 1 7.972 0.020 . 1 . . . . . 33 ILE H . 27894 1 85 . 1 . 1 33 33 ILE CA C 13 66.218 0.3 . 1 . . . . . 33 ILE CA . 27894 1 86 . 1 . 1 33 33 ILE CB C 13 38.172 0.3 . 1 . . . . . 33 ILE CB . 27894 1 87 . 1 . 1 33 33 ILE N N 15 118.001 0.3 . 1 . . . . . 33 ILE N . 27894 1 88 . 1 . 1 34 34 GLU H H 1 8.766 0.020 . 1 . . . . . 34 GLU H . 27894 1 89 . 1 . 1 34 34 GLU CA C 13 59.062 0.3 . 1 . . . . . 34 GLU CA . 27894 1 90 . 1 . 1 34 34 GLU CB C 13 29.531 0.3 . 1 . . . . . 34 GLU CB . 27894 1 91 . 1 . 1 34 34 GLU N N 15 118.895 0.3 . 1 . . . . . 34 GLU N . 27894 1 92 . 1 . 1 35 35 SER H H 1 7.452 0.020 . 1 . . . . . 35 SER H . 27894 1 93 . 1 . 1 35 35 SER CA C 13 59.612 0.3 . 1 . . . . . 35 SER CA . 27894 1 94 . 1 . 1 35 35 SER CB C 13 63.407 0.3 . 1 . . . . . 35 SER CB . 27894 1 95 . 1 . 1 35 35 SER N N 15 112.475 0.3 . 1 . . . . . 35 SER N . 27894 1 96 . 1 . 1 36 36 SER H H 1 7.443 0.020 . 1 . . . . . 36 SER H . 27894 1 97 . 1 . 1 36 36 SER CA C 13 57.663 0.3 . 1 . . . . . 36 SER CA . 27894 1 98 . 1 . 1 36 36 SER CB C 13 65.223 0.3 . 1 . . . . . 36 SER CB . 27894 1 99 . 1 . 1 36 36 SER N N 15 118.561 0.3 . 1 . . . . . 36 SER N . 27894 1 100 . 1 . 1 37 37 ALA H H 1 9.020 0.020 . 1 . . . . . 37 ALA H . 27894 1 101 . 1 . 1 37 37 ALA CA C 13 55.209 0.3 . 1 . . . . . 37 ALA CA . 27894 1 102 . 1 . 1 37 37 ALA CB C 13 18.448 0.3 . 1 . . . . . 37 ALA CB . 27894 1 103 . 1 . 1 37 37 ALA N N 15 128.148 0.3 . 1 . . . . . 37 ALA N . 27894 1 104 . 1 . 1 38 38 GLU H H 1 8.466 0.020 . 1 . . . . . 38 GLU H . 27894 1 105 . 1 . 1 38 38 GLU CA C 13 55.553 0.3 . 1 . . . . . 38 GLU CA . 27894 1 106 . 1 . 1 38 38 GLU CB C 13 29.781 0.3 . 1 . . . . . 38 GLU CB . 27894 1 107 . 1 . 1 38 38 GLU N N 15 113.065 0.3 . 1 . . . . . 38 GLU N . 27894 1 108 . 1 . 1 39 39 LYS H H 1 7.755 0.020 . 1 . . . . . 39 LYS H . 27894 1 109 . 1 . 1 39 39 LYS CA C 13 55.415 0.3 . 1 . . . . . 39 LYS CA . 27894 1 110 . 1 . 1 39 39 LYS CB C 13 28.153 0.3 . 1 . . . . . 39 LYS CB . 27894 1 111 . 1 . 1 39 39 LYS N N 15 115.109 0.3 . 1 . . . . . 39 LYS N . 27894 1 112 . 1 . 1 40 40 ARG H H 1 7.299 0.020 . 1 . . . . . 40 ARG H . 27894 1 113 . 1 . 1 40 40 ARG CA C 13 54.452 0.3 . 1 . . . . . 40 ARG CA . 27894 1 114 . 1 . 1 40 40 ARG CB C 13 31.973 0.3 . 1 . . . . . 40 ARG CB . 27894 1 115 . 1 . 1 40 40 ARG N N 15 111.771 0.3 . 1 . . . . . 40 ARG N . 27894 1 116 . 1 . 1 41 41 LEU H H 1 8.686 0.020 . 1 . . . . . 41 LEU H . 27894 1 117 . 1 . 1 41 41 LEU CA C 13 53.993 0.3 . 1 . . . . . 41 LEU CA . 27894 1 118 . 1 . 1 41 41 LEU CB C 13 49.506 0.3 . 1 . . . . . 41 LEU CB . 27894 1 119 . 1 . 1 41 41 LEU N N 15 120.116 0.3 . 1 . . . . . 41 LEU N . 27894 1 120 . 1 . 1 42 42 THR H H 1 8.900 0.020 . 1 . . . . . 42 THR H . 27894 1 121 . 1 . 1 42 42 THR CA C 13 60.438 0.3 . 1 . . . . . 42 THR CA . 27894 1 122 . 1 . 1 42 42 THR CB C 13 70.546 0.3 . 1 . . . . . 42 THR CB . 27894 1 123 . 1 . 1 42 42 THR N N 15 112.457 0.3 . 1 . . . . . 42 THR N . 27894 1 124 . 1 . 1 43 43 LEU H H 1 9.336 0.020 . 1 . . . . . 43 LEU H . 27894 1 125 . 1 . 1 43 43 LEU CA C 13 58.580 0.3 . 1 . . . . . 43 LEU CA . 27894 1 126 . 1 . 1 43 43 LEU CB C 13 41.366 0.3 . 1 . . . . . 43 LEU CB . 27894 1 127 . 1 . 1 43 43 LEU N N 15 122.070 0.3 . 1 . . . . . 43 LEU N . 27894 1 128 . 1 . 1 44 44 SER H H 1 8.376 0.020 . 1 . . . . . 44 SER H . 27894 1 129 . 1 . 1 44 44 SER CA C 13 62.181 0.3 . 1 . . . . . 44 SER CA . 27894 1 130 . 1 . 1 44 44 SER N N 15 111.308 0.3 . 1 . . . . . 44 SER N . 27894 1 131 . 1 . 1 45 45 GLN H H 1 7.611 0.020 . 1 . . . . . 45 GLN H . 27894 1 132 . 1 . 1 45 45 GLN CA C 13 58.557 0.3 . 1 . . . . . 45 GLN CA . 27894 1 133 . 1 . 1 45 45 GLN CB C 13 30.032 0.3 . 1 . . . . . 45 GLN CB . 27894 1 134 . 1 . 1 45 45 GLN N N 15 120.431 0.3 . 1 . . . . . 45 GLN N . 27894 1 135 . 1 . 1 46 46 ILE H H 1 8.357 0.020 . 1 . . . . . 46 ILE H . 27894 1 136 . 1 . 1 46 46 ILE CA C 13 66.585 0.3 . 1 . . . . . 46 ILE CA . 27894 1 137 . 1 . 1 46 46 ILE CB C 13 37.421 0.3 . 1 . . . . . 46 ILE CB . 27894 1 138 . 1 . 1 46 46 ILE N N 15 124.312 0.3 . 1 . . . . . 46 ILE N . 27894 1 139 . 1 . 1 47 47 TYR H H 1 8.186 0.020 . 1 . . . . . 47 TYR H . 27894 1 140 . 1 . 1 47 47 TYR CA C 13 59.106 0.3 . 1 . . . . . 47 TYR CA . 27894 1 141 . 1 . 1 47 47 TYR CB C 13 36.857 0.3 . 1 . . . . . 47 TYR CB . 27894 1 142 . 1 . 1 47 47 TYR N N 15 118.481 0.3 . 1 . . . . . 47 TYR N . 27894 1 143 . 1 . 1 48 48 GLU H H 1 8.215 0.020 . 1 . . . . . 48 GLU H . 27894 1 144 . 1 . 1 48 48 GLU CA C 13 59.337 0.3 . 1 . . . . . 48 GLU CA . 27894 1 145 . 1 . 1 48 48 GLU CB C 13 29.531 0.3 . 1 . . . . . 48 GLU CB . 27894 1 146 . 1 . 1 48 48 GLU N N 15 117.615 0.3 . 1 . . . . . 48 GLU N . 27894 1 147 . 1 . 1 49 49 TRP H H 1 8.185 0.020 . 1 . . . . . 49 TRP H . 27894 1 148 . 1 . 1 49 49 TRP CA C 13 62.709 0.3 . 1 . . . . . 49 TRP CA . 27894 1 149 . 1 . 1 49 49 TRP CB C 13 28.717 0.3 . 1 . . . . . 49 TRP CB . 27894 1 150 . 1 . 1 49 49 TRP N N 15 120.368 0.3 . 1 . . . . . 49 TRP N . 27894 1 151 . 1 . 1 50 50 MET H H 1 8.339 0.020 . 1 . . . . . 50 MET H . 27894 1 152 . 1 . 1 50 50 MET CA C 13 58.523 0.3 . 1 . . . . . 50 MET CA . 27894 1 153 . 1 . 1 50 50 MET CB C 13 31.347 0.3 . 1 . . . . . 50 MET CB . 27894 1 154 . 1 . 1 50 50 MET N N 15 118.916 0.3 . 1 . . . . . 50 MET N . 27894 1 155 . 1 . 1 51 51 VAL H H 1 7.535 0.020 . 1 . . . . . 51 VAL H . 27894 1 156 . 1 . 1 51 51 VAL CA C 13 64.979 0.3 . 1 . . . . . 51 VAL CA . 27894 1 157 . 1 . 1 51 51 VAL CB C 13 31.723 0.3 . 1 . . . . . 51 VAL CB . 27894 1 158 . 1 . 1 51 51 VAL N N 15 115.214 0.3 . 1 . . . . . 51 VAL N . 27894 1 159 . 1 . 1 52 52 LYS H H 1 7.474 0.020 . 1 . . . . . 52 LYS H . 27894 1 160 . 1 . 1 52 52 LYS CA C 13 57.846 0.3 . 1 . . . . . 52 LYS CA . 27894 1 161 . 1 . 1 52 52 LYS CB C 13 33.038 0.3 . 1 . . . . . 52 LYS CB . 27894 1 162 . 1 . 1 52 52 LYS N N 15 116.756 0.3 . 1 . . . . . 52 LYS N . 27894 1 163 . 1 . 1 53 53 SER H H 1 7.527 0.020 . 1 . . . . . 53 SER H . 27894 1 164 . 1 . 1 53 53 SER CA C 13 59.681 0.3 . 1 . . . . . 53 SER CA . 27894 1 165 . 1 . 1 53 53 SER CB C 13 63.345 0.3 . 1 . . . . . 53 SER CB . 27894 1 166 . 1 . 1 53 53 SER N N 15 111.371 0.3 . 1 . . . . . 53 SER N . 27894 1 167 . 1 . 1 54 54 VAL H H 1 7.765 0.020 . 1 . . . . . 54 VAL H . 27894 1 168 . 1 . 1 54 54 VAL CA C 13 59.222 0.3 . 1 . . . . . 54 VAL CA . 27894 1 169 . 1 . 1 54 54 VAL CB C 13 32.161 0.3 . 1 . . . . . 54 VAL CB . 27894 1 170 . 1 . 1 54 54 VAL N N 15 122.315 0.3 . 1 . . . . . 54 VAL N . 27894 1 171 . 1 . 1 56 56 TYR H H 1 7.736 0.020 . 1 . . . . . 56 TYR H . 27894 1 172 . 1 . 1 56 56 TYR CA C 13 60.140 0.3 . 1 . . . . . 56 TYR CA . 27894 1 173 . 1 . 1 56 56 TYR CB C 13 38.611 0.3 . 1 . . . . . 56 TYR CB . 27894 1 174 . 1 . 1 56 56 TYR N N 15 115.442 0.3 . 1 . . . . . 56 TYR N . 27894 1 175 . 1 . 1 57 57 PHE H H 1 7.391 0.020 . 1 . . . . . 57 PHE H . 27894 1 176 . 1 . 1 57 57 PHE CA C 13 58.030 0.3 . 1 . . . . . 57 PHE CA . 27894 1 177 . 1 . 1 57 57 PHE CB C 13 37.922 0.3 . 1 . . . . . 57 PHE CB . 27894 1 178 . 1 . 1 57 57 PHE N N 15 114.044 0.3 . 1 . . . . . 57 PHE N . 27894 1 179 . 1 . 1 58 58 LYS H H 1 7.482 0.020 . 1 . . . . . 58 LYS H . 27894 1 180 . 1 . 1 58 58 LYS CA C 13 58.557 0.3 . 1 . . . . . 58 LYS CA . 27894 1 181 . 1 . 1 58 58 LYS CB C 13 32.537 0.3 . 1 . . . . . 58 LYS CB . 27894 1 182 . 1 . 1 58 58 LYS N N 15 120.159 0.3 . 1 . . . . . 58 LYS N . 27894 1 183 . 1 . 1 59 59 ASP H H 1 8.122 0.020 . 1 . . . . . 59 ASP H . 27894 1 184 . 1 . 1 59 59 ASP CA C 13 53.970 0.3 . 1 . . . . . 59 ASP CA . 27894 1 185 . 1 . 1 59 59 ASP CB C 13 40.301 0.3 . 1 . . . . . 59 ASP CB . 27894 1 186 . 1 . 1 59 59 ASP N N 15 117.277 0.3 . 1 . . . . . 59 ASP N . 27894 1 187 . 1 . 1 60 60 LYS H H 1 7.791 0.020 . 1 . . . . . 60 LYS H . 27894 1 188 . 1 . 1 60 60 LYS CA C 13 55.438 0.3 . 1 . . . . . 60 LYS CA . 27894 1 189 . 1 . 1 60 60 LYS CB C 13 32.349 0.3 . 1 . . . . . 60 LYS CB . 27894 1 190 . 1 . 1 60 60 LYS N N 15 119.748 0.3 . 1 . . . . . 60 LYS N . 27894 1 191 . 1 . 1 61 61 GLY H H 1 8.489 0.020 . 1 . . . . . 61 GLY H . 27894 1 192 . 1 . 1 61 61 GLY CA C 13 46.126 0.3 . 1 . . . . . 61 GLY CA . 27894 1 193 . 1 . 1 61 61 GLY N N 15 108.204 0.3 . 1 . . . . . 61 GLY N . 27894 1 194 . 1 . 1 62 62 ASP H H 1 8.159 0.020 . 1 . . . . . 62 ASP H . 27894 1 195 . 1 . 1 62 62 ASP CA C 13 53.594 0.3 . 1 . . . . . 62 ASP CA . 27894 1 196 . 1 . 1 62 62 ASP CB C 13 41.115 0.3 . 1 . . . . . 62 ASP CB . 27894 1 197 . 1 . 1 62 62 ASP N N 15 119.435 0.3 . 1 . . . . . 62 ASP N . 27894 1 198 . 1 . 1 65 65 SER H H 1 7.866 0.020 . 1 . . . . . 65 SER H . 27894 1 199 . 1 . 1 65 65 SER CA C 13 60.048 0.3 . 1 . . . . . 65 SER CA . 27894 1 200 . 1 . 1 65 65 SER CB C 13 64.597 0.3 . 1 . . . . . 65 SER CB . 27894 1 201 . 1 . 1 65 65 SER N N 15 121.253 0.3 . 1 . . . . . 65 SER N . 27894 1 202 . 1 . 1 67 67 ALA H H 1 7.576 0.020 . 1 . . . . . 67 ALA H . 27894 1 203 . 1 . 1 67 67 ALA CA C 13 54.062 0.3 . 1 . . . . . 67 ALA CA . 27894 1 204 . 1 . 1 67 67 ALA CB C 13 18.510 0.3 . 1 . . . . . 67 ALA CB . 27894 1 205 . 1 . 1 67 67 ALA N N 15 123.885 0.3 . 1 . . . . . 67 ALA N . 27894 1 206 . 1 . 1 68 68 GLY H H 1 8.211 0.020 . 1 . . . . . 68 GLY H . 27894 1 207 . 1 . 1 68 68 GLY CA C 13 46.860 0.3 . 1 . . . . . 68 GLY CA . 27894 1 208 . 1 . 1 68 68 GLY N N 15 106.637 0.3 . 1 . . . . . 68 GLY N . 27894 1 209 . 1 . 1 69 69 TRP H H 1 8.115 0.020 . 1 . . . . . 69 TRP H . 27894 1 210 . 1 . 1 69 69 TRP CA C 13 59.475 0.3 . 1 . . . . . 69 TRP CA . 27894 1 211 . 1 . 1 69 69 TRP CB C 13 28.466 0.3 . 1 . . . . . 69 TRP CB . 27894 1 212 . 1 . 1 69 69 TRP N N 15 122.734 0.3 . 1 . . . . . 69 TRP N . 27894 1 213 . 1 . 1 71 71 ASN H H 1 7.952 0.020 . 1 . . . . . 71 ASN H . 27894 1 214 . 1 . 1 71 71 ASN CA C 13 52.250 0.3 . 1 . . . . . 71 ASN CA . 27894 1 215 . 1 . 1 71 71 ASN CB C 13 38.485 0.3 . 1 . . . . . 71 ASN CB . 27894 1 216 . 1 . 1 71 71 ASN N N 15 118.452 0.3 . 1 . . . . . 71 ASN N . 27894 1 217 . 1 . 1 73 73 ILE H H 1 8.192 0.020 . 1 . . . . . 73 ILE H . 27894 1 218 . 1 . 1 73 73 ILE CA C 13 64.475 0.3 . 1 . . . . . 73 ILE CA . 27894 1 219 . 1 . 1 73 73 ILE CB C 13 36.168 0.3 . 1 . . . . . 73 ILE CB . 27894 1 220 . 1 . 1 73 73 ILE N N 15 124.733 0.3 . 1 . . . . . 73 ILE N . 27894 1 221 . 1 . 1 74 74 ARG H H 1 7.783 0.020 . 1 . . . . . 74 ARG H . 27894 1 222 . 1 . 1 74 74 ARG CA C 13 60.117 0.3 . 1 . . . . . 74 ARG CA . 27894 1 223 . 1 . 1 74 74 ARG CB C 13 29.594 0.3 . 1 . . . . . 74 ARG CB . 27894 1 224 . 1 . 1 74 74 ARG N N 15 118.750 0.3 . 1 . . . . . 74 ARG N . 27894 1 225 . 1 . 1 75 75 HIS H H 1 8.363 0.020 . 1 . . . . . 75 HIS H . 27894 1 226 . 1 . 1 75 75 HIS CA C 13 58.970 0.3 . 1 . . . . . 75 HIS CA . 27894 1 227 . 1 . 1 75 75 HIS CB C 13 30.157 0.3 . 1 . . . . . 75 HIS CB . 27894 1 228 . 1 . 1 75 75 HIS N N 15 117.534 0.3 . 1 . . . . . 75 HIS N . 27894 1 229 . 1 . 1 76 76 ASN H H 1 7.905 0.020 . 1 . . . . . 76 ASN H . 27894 1 230 . 1 . 1 76 76 ASN CA C 13 57.502 0.3 . 1 . . . . . 76 ASN CA . 27894 1 231 . 1 . 1 76 76 ASN CB C 13 40.489 0.3 . 1 . . . . . 76 ASN CB . 27894 1 232 . 1 . 1 76 76 ASN N N 15 117.309 0.3 . 1 . . . . . 76 ASN N . 27894 1 233 . 1 . 1 79 79 LEU H H 1 7.426 0.020 . 1 . . . . . 79 LEU H . 27894 1 234 . 1 . 1 79 79 LEU CA C 13 55.645 0.3 . 1 . . . . . 79 LEU CA . 27894 1 235 . 1 . 1 79 79 LEU CB C 13 42.994 0.3 . 1 . . . . . 79 LEU CB . 27894 1 236 . 1 . 1 79 79 LEU N N 15 120.840 0.3 . 1 . . . . . 79 LEU N . 27894 1 237 . 1 . 1 83 83 PHE H H 1 7.903 0.020 . 1 . . . . . 83 PHE H . 27894 1 238 . 1 . 1 83 83 PHE CA C 13 55.828 0.3 . 1 . . . . . 83 PHE CA . 27894 1 239 . 1 . 1 83 83 PHE CB C 13 41.929 0.3 . 1 . . . . . 83 PHE CB . 27894 1 240 . 1 . 1 83 83 PHE N N 15 126.492 0.3 . 1 . . . . . 83 PHE N . 27894 1 241 . 1 . 1 84 84 ILE H H 1 9.250 0.020 . 1 . . . . . 84 ILE H . 27894 1 242 . 1 . 1 84 84 ILE CA C 13 59.406 0.3 . 1 . . . . . 84 ILE CA . 27894 1 243 . 1 . 1 84 84 ILE CB C 13 41.616 0.3 . 1 . . . . . 84 ILE CB . 27894 1 244 . 1 . 1 84 84 ILE N N 15 119.400 0.3 . 1 . . . . . 84 ILE N . 27894 1 245 . 1 . 1 85 85 ARG H H 1 8.109 0.020 . 1 . . . . . 85 ARG H . 27894 1 246 . 1 . 1 85 85 ARG CA C 13 54.291 0.3 . 1 . . . . . 85 ARG CA . 27894 1 247 . 1 . 1 85 85 ARG CB C 13 30.595 0.3 . 1 . . . . . 85 ARG CB . 27894 1 248 . 1 . 1 85 85 ARG N N 15 125.771 0.3 . 1 . . . . . 85 ARG N . 27894 1 249 . 1 . 1 86 86 VAL H H 1 8.958 0.020 . 1 . . . . . 86 VAL H . 27894 1 250 . 1 . 1 86 86 VAL CA C 13 61.264 0.3 . 1 . . . . . 86 VAL CA . 27894 1 251 . 1 . 1 86 86 VAL CB C 13 33.977 0.3 . 1 . . . . . 86 VAL CB . 27894 1 252 . 1 . 1 86 86 VAL N N 15 127.082 0.3 . 1 . . . . . 86 VAL N . 27894 1 253 . 1 . 1 87 87 GLN H H 1 8.467 0.020 . 1 . . . . . 87 GLN H . 27894 1 254 . 1 . 1 87 87 GLN CA C 13 55.759 0.3 . 1 . . . . . 87 GLN CA . 27894 1 255 . 1 . 1 87 87 GLN CB C 13 29.719 0.3 . 1 . . . . . 87 GLN CB . 27894 1 256 . 1 . 1 87 87 GLN N N 15 125.020 0.3 . 1 . . . . . 87 GLN N . 27894 1 257 . 1 . 1 88 88 ASN H H 1 8.465 0.020 . 1 . . . . . 88 ASN H . 27894 1 258 . 1 . 1 88 88 ASN CA C 13 52.709 0.3 . 1 . . . . . 88 ASN CA . 27894 1 259 . 1 . 1 88 88 ASN CB C 13 38.861 0.3 . 1 . . . . . 88 ASN CB . 27894 1 260 . 1 . 1 88 88 ASN N N 15 122.090 0.3 . 1 . . . . . 88 ASN N . 27894 1 261 . 1 . 1 89 89 GLU H H 1 8.645 0.020 . 1 . . . . . 89 GLU H . 27894 1 262 . 1 . 1 89 89 GLU CA C 13 57.181 0.3 . 1 . . . . . 89 GLU CA . 27894 1 263 . 1 . 1 89 89 GLU CB C 13 29.656 0.3 . 1 . . . . . 89 GLU CB . 27894 1 264 . 1 . 1 89 89 GLU N N 15 122.297 0.3 . 1 . . . . . 89 GLU N . 27894 1 265 . 1 . 1 90 90 GLY H H 1 8.504 0.020 . 1 . . . . . 90 GLY H . 27894 1 266 . 1 . 1 90 90 GLY CA C 13 45.163 0.3 . 1 . . . . . 90 GLY CA . 27894 1 267 . 1 . 1 90 90 GLY N N 15 109.463 0.3 . 1 . . . . . 90 GLY N . 27894 1 268 . 1 . 1 91 91 THR H H 1 8.111 0.020 . 1 . . . . . 91 THR H . 27894 1 269 . 1 . 1 91 91 THR CA C 13 62.456 0.3 . 1 . . . . . 91 THR CA . 27894 1 270 . 1 . 1 91 91 THR CB C 13 69.356 0.3 . 1 . . . . . 91 THR CB . 27894 1 271 . 1 . 1 91 91 THR N N 15 114.029 0.3 . 1 . . . . . 91 THR N . 27894 1 272 . 1 . 1 92 92 GLY H H 1 8.558 0.020 . 1 . . . . . 92 GLY H . 27894 1 273 . 1 . 1 92 92 GLY CA C 13 45.668 0.3 . 1 . . . . . 92 GLY CA . 27894 1 274 . 1 . 1 92 92 GLY N N 15 112.267 0.3 . 1 . . . . . 92 GLY N . 27894 1 275 . 1 . 1 93 93 LYS H H 1 7.947 0.020 . 1 . . . . . 93 LYS H . 27894 1 276 . 1 . 1 93 93 LYS CA C 13 55.713 0.3 . 1 . . . . . 93 LYS CA . 27894 1 277 . 1 . 1 93 93 LYS CB C 13 32.787 0.3 . 1 . . . . . 93 LYS CB . 27894 1 278 . 1 . 1 93 93 LYS N N 15 119.563 0.3 . 1 . . . . . 93 LYS N . 27894 1 279 . 1 . 1 94 94 SER H H 1 8.123 0.020 . 1 . . . . . 94 SER H . 27894 1 280 . 1 . 1 94 94 SER CA C 13 58.236 0.3 . 1 . . . . . 94 SER CA . 27894 1 281 . 1 . 1 94 94 SER CB C 13 63.908 0.3 . 1 . . . . . 94 SER CB . 27894 1 282 . 1 . 1 94 94 SER N N 15 116.585 0.3 . 1 . . . . . 94 SER N . 27894 1 283 . 1 . 1 95 95 SER H H 1 8.209 0.020 . 1 . . . . . 95 SER H . 27894 1 284 . 1 . 1 95 95 SER CA C 13 58.488 0.3 . 1 . . . . . 95 SER CA . 27894 1 285 . 1 . 1 95 95 SER CB C 13 63.971 0.3 . 1 . . . . . 95 SER CB . 27894 1 286 . 1 . 1 95 95 SER N N 15 117.011 0.3 . 1 . . . . . 95 SER N . 27894 1 287 . 1 . 1 96 96 TRP H H 1 8.415 0.020 . 1 . . . . . 96 TRP H . 27894 1 288 . 1 . 1 96 96 TRP CA C 13 56.493 0.3 . 1 . . . . . 96 TRP CA . 27894 1 289 . 1 . 1 96 96 TRP CB C 13 32.161 0.3 . 1 . . . . . 96 TRP CB . 27894 1 290 . 1 . 1 96 96 TRP N N 15 120.722 0.3 . 1 . . . . . 96 TRP N . 27894 1 291 . 1 . 1 97 97 TRP H H 1 9.181 0.020 . 1 . . . . . 97 TRP H . 27894 1 292 . 1 . 1 97 97 TRP CA C 13 56.642 0.3 . 1 . . . . . 97 TRP CA . 27894 1 293 . 1 . 1 97 97 TRP CB C 13 30.783 0.3 . 1 . . . . . 97 TRP CB . 27894 1 294 . 1 . 1 97 97 TRP N N 15 121.815 0.3 . 1 . . . . . 97 TRP N . 27894 1 295 . 1 . 1 98 98 MET H H 1 9.205 0.020 . 1 . . . . . 98 MET H . 27894 1 296 . 1 . 1 98 98 MET CA C 13 53.993 0.3 . 1 . . . . . 98 MET CA . 27894 1 297 . 1 . 1 98 98 MET CB C 13 37.609 0.3 . 1 . . . . . 98 MET CB . 27894 1 298 . 1 . 1 98 98 MET N N 15 117.691 0.3 . 1 . . . . . 98 MET N . 27894 1 299 . 1 . 1 99 99 LEU H H 1 9.157 0.020 . 1 . . . . . 99 LEU H . 27894 1 300 . 1 . 1 99 99 LEU CA C 13 54.387 0.3 . 1 . . . . . 99 LEU CA . 27894 1 301 . 1 . 1 99 99 LEU CB C 13 41.366 0.3 . 1 . . . . . 99 LEU CB . 27894 1 302 . 1 . 1 99 99 LEU N N 15 120.184 0.3 . 1 . . . . . 99 LEU N . 27894 1 303 . 1 . 1 100 100 ASN H H 1 8.612 0.020 . 1 . . . . . 100 ASN H . 27894 1 304 . 1 . 1 100 100 ASN CA C 13 50.507 0.3 . 1 . . . . . 100 ASN CA . 27894 1 305 . 1 . 1 100 100 ASN CB C 13 39.111 0.3 . 1 . . . . . 100 ASN CB . 27894 1 306 . 1 . 1 100 100 ASN N N 15 121.485 0.3 . 1 . . . . . 100 ASN N . 27894 1 307 . 1 . 1 102 102 GLU H H 1 8.024 0.020 . 1 . . . . . 102 GLU H . 27894 1 308 . 1 . 1 102 102 GLU CA C 13 56.484 0.3 . 1 . . . . . 102 GLU CA . 27894 1 309 . 1 . 1 102 102 GLU CB C 13 29.594 0.3 . 1 . . . . . 102 GLU CB . 27894 1 310 . 1 . 1 102 102 GLU N N 15 118.950 0.3 . 1 . . . . . 102 GLU N . 27894 1 311 . 1 . 1 103 103 GLY H H 1 8.110 0.020 . 1 . . . . . 103 GLY H . 27894 1 312 . 1 . 1 103 103 GLY CA C 13 45.576 0.3 . 1 . . . . . 103 GLY CA . 27894 1 313 . 1 . 1 103 103 GLY N N 15 108.819 0.3 . 1 . . . . . 103 GLY N . 27894 1 314 . 1 . 1 104 104 GLY H H 1 8.192 0.020 . 1 . . . . . 104 GLY H . 27894 1 315 . 1 . 1 104 104 GLY CA C 13 45.423 0.3 . 1 . . . . . 104 GLY CA . 27894 1 316 . 1 . 1 104 104 GLY N N 15 108.489 0.3 . 1 . . . . . 104 GLY N . 27894 1 317 . 1 . 1 105 105 LYS H H 1 7.806 0.020 . 1 . . . . . 105 LYS H . 27894 1 318 . 1 . 1 105 105 LYS CA C 13 52.961 0.3 . 1 . . . . . 105 LYS CA . 27894 1 319 . 1 . 1 105 105 LYS CB C 13 29.531 0.3 . 1 . . . . . 105 LYS CB . 27894 1 320 . 1 . 1 105 105 LYS N N 15 118.114 0.3 . 1 . . . . . 105 LYS N . 27894 1 321 . 1 . 1 107 107 GLY H H 1 8.360 0.020 . 1 . . . . . 107 GLY H . 27894 1 322 . 1 . 1 107 107 GLY CA C 13 45.232 0.3 . 1 . . . . . 107 GLY CA . 27894 1 323 . 1 . 1 107 107 GLY N N 15 110.759 0.3 . 1 . . . . . 107 GLY N . 27894 1 324 . 1 . 1 108 108 LYS H H 1 8.128 0.020 . 1 . . . . . 108 LYS H . 27894 1 325 . 1 . 1 108 108 LYS CA C 13 55.966 0.3 . 1 . . . . . 108 LYS CA . 27894 1 326 . 1 . 1 108 108 LYS CB C 13 32.850 0.3 . 1 . . . . . 108 LYS CB . 27894 1 327 . 1 . 1 108 108 LYS N N 15 120.480 0.3 . 1 . . . . . 108 LYS N . 27894 1 328 . 1 . 1 109 109 SER H H 1 8.339 0.020 . 1 . . . . . 109 SER H . 27894 1 329 . 1 . 1 109 109 SER CA C 13 56.331 0.3 . 1 . . . . . 109 SER CA . 27894 1 330 . 1 . 1 109 109 SER CB C 13 63.031 0.3 . 1 . . . . . 109 SER CB . 27894 1 331 . 1 . 1 109 109 SER N N 15 118.386 0.3 . 1 . . . . . 109 SER N . 27894 1 332 . 1 . 1 111 111 ARG H H 1 8.353 0.020 . 1 . . . . . 111 ARG H . 27894 1 333 . 1 . 1 111 111 ARG CA C 13 56.080 0.3 . 1 . . . . . 111 ARG CA . 27894 1 334 . 1 . 1 111 111 ARG CB C 13 30.533 0.3 . 1 . . . . . 111 ARG CB . 27894 1 335 . 1 . 1 111 111 ARG N N 15 121.333 0.3 . 1 . . . . . 111 ARG N . 27894 1 336 . 1 . 1 112 112 ARG H H 1 8.215 0.020 . 1 . . . . . 112 ARG H . 27894 1 337 . 1 . 1 112 112 ARG CA C 13 56.310 0.3 . 1 . . . . . 112 ARG CA . 27894 1 338 . 1 . 1 112 112 ARG CB C 13 30.554 0.3 . 1 . . . . . 112 ARG CB . 27894 1 339 . 1 . 1 112 112 ARG N N 15 121.808 0.3 . 1 . . . . . 112 ARG N . 27894 1 340 . 1 . 1 113 113 ARG H H 1 8.349 0.020 . 1 . . . . . 113 ARG H . 27894 1 341 . 1 . 1 113 113 ARG CA C 13 55.966 0.3 . 1 . . . . . 113 ARG CA . 27894 1 342 . 1 . 1 113 113 ARG CB C 13 30.615 0.3 . 1 . . . . . 113 ARG CB . 27894 1 343 . 1 . 1 113 113 ARG N N 15 122.903 0.3 . 1 . . . . . 113 ARG N . 27894 1 344 . 1 . 1 114 114 ALA H H 1 8.363 0.020 . 1 . . . . . 114 ALA H . 27894 1 345 . 1 . 1 114 114 ALA CA C 13 52.319 0.3 . 1 . . . . . 114 ALA CA . 27894 1 346 . 1 . 1 114 114 ALA CB C 13 19.074 0.3 . 1 . . . . . 114 ALA CB . 27894 1 347 . 1 . 1 114 114 ALA N N 15 125.946 0.3 . 1 . . . . . 114 ALA N . 27894 1 348 . 1 . 1 115 115 ALA H H 1 8.322 0.020 . 1 . . . . . 115 ALA H . 27894 1 349 . 1 . 1 115 115 ALA CA C 13 52.456 0.3 . 1 . . . . . 115 ALA CA . 27894 1 350 . 1 . 1 115 115 ALA CB C 13 18.959 0.3 . 1 . . . . . 115 ALA CB . 27894 1 351 . 1 . 1 115 115 ALA N N 15 123.619 0.3 . 1 . . . . . 115 ALA N . 27894 1 352 . 1 . 1 116 116 SER H H 1 8.220 0.020 . 1 . . . . . 116 SER H . 27894 1 353 . 1 . 1 116 116 SER CA C 13 58.236 0.3 . 1 . . . . . 116 SER CA . 27894 1 354 . 1 . 1 116 116 SER CB C 13 63.407 0.3 . 1 . . . . . 116 SER CB . 27894 1 355 . 1 . 1 116 116 SER N N 15 114.670 0.3 . 1 . . . . . 116 SER N . 27894 1 356 . 1 . 1 117 117 MET H H 1 8.345 0.020 . 1 . . . . . 117 MET H . 27894 1 357 . 1 . 1 117 117 MET CA C 13 55.415 0.3 . 1 . . . . . 117 MET CA . 27894 1 358 . 1 . 1 117 117 MET CB C 13 32.850 0.3 . 1 . . . . . 117 MET CB . 27894 1 359 . 1 . 1 117 117 MET N N 15 122.034 0.3 . 1 . . . . . 117 MET N . 27894 1 360 . 1 . 1 118 118 ASP H H 1 8.225 0.020 . 1 . . . . . 118 ASP H . 27894 1 361 . 1 . 1 118 118 ASP CA C 13 54.223 0.3 . 1 . . . . . 118 ASP CA . 27894 1 362 . 1 . 1 118 118 ASP CB C 13 41.053 0.3 . 1 . . . . . 118 ASP CB . 27894 1 363 . 1 . 1 118 118 ASP N N 15 121.124 0.3 . 1 . . . . . 118 ASP N . 27894 1 364 . 1 . 1 119 119 ASN H H 1 8.396 0.020 . 1 . . . . . 119 ASN H . 27894 1 365 . 1 . 1 119 119 ASN CA C 13 53.567 0.3 . 1 . . . . . 119 ASN CA . 27894 1 366 . 1 . 1 119 119 ASN CB C 13 38.485 0.3 . 1 . . . . . 119 ASN CB . 27894 1 367 . 1 . 1 119 119 ASN N N 15 119.556 0.3 . 1 . . . . . 119 ASN N . 27894 1 368 . 1 . 1 120 120 ASN H H 1 8.422 0.020 . 1 . . . . . 120 ASN H . 27894 1 369 . 1 . 1 120 120 ASN CA C 13 53.639 0.3 . 1 . . . . . 120 ASN CA . 27894 1 370 . 1 . 1 120 120 ASN CB C 13 38.611 0.3 . 1 . . . . . 120 ASN CB . 27894 1 371 . 1 . 1 120 120 ASN N N 15 118.785 0.3 . 1 . . . . . 120 ASN N . 27894 1 372 . 1 . 1 121 121 SER H H 1 8.187 0.020 . 1 . . . . . 121 SER H . 27894 1 373 . 1 . 1 121 121 SER CA C 13 58.993 0.3 . 1 . . . . . 121 SER CA . 27894 1 374 . 1 . 1 121 121 SER CB C 13 63.407 0.3 . 1 . . . . . 121 SER CB . 27894 1 375 . 1 . 1 121 121 SER N N 15 116.190 0.3 . 1 . . . . . 121 SER N . 27894 1 376 . 1 . 1 122 122 LYS H H 1 8.189 0.020 . 1 . . . . . 122 LYS H . 27894 1 377 . 1 . 1 122 122 LYS CA C 13 57.044 0.3 . 1 . . . . . 122 LYS CA . 27894 1 378 . 1 . 1 122 122 LYS CB C 13 32.224 0.3 . 1 . . . . . 122 LYS CB . 27894 1 379 . 1 . 1 122 122 LYS N N 15 122.492 0.3 . 1 . . . . . 122 LYS N . 27894 1 380 . 1 . 1 123 123 PHE H H 1 7.944 0.020 . 1 . . . . . 123 PHE H . 27894 1 381 . 1 . 1 123 123 PHE CA C 13 57.342 0.3 . 1 . . . . . 123 PHE CA . 27894 1 382 . 1 . 1 123 123 PHE CB C 13 39.049 0.3 . 1 . . . . . 123 PHE CB . 27894 1 383 . 1 . 1 123 123 PHE N N 15 119.225 0.3 . 1 . . . . . 123 PHE N . 27894 1 384 . 1 . 1 124 124 ALA H H 1 7.972 0.020 . 1 . . . . . 124 ALA H . 27894 1 385 . 1 . 1 124 124 ALA CA C 13 52.663 0.3 . 1 . . . . . 124 ALA CA . 27894 1 386 . 1 . 1 124 124 ALA CB C 13 19.011 0.3 . 1 . . . . . 124 ALA CB . 27894 1 387 . 1 . 1 124 124 ALA N N 15 124.720 0.3 . 1 . . . . . 124 ALA N . 27894 1 388 . 1 . 1 125 125 LYS H H 1 8.197 0.020 . 1 . . . . . 125 LYS H . 27894 1 389 . 1 . 1 125 125 LYS CA C 13 56.470 0.3 . 1 . . . . . 125 LYS CA . 27894 1 390 . 1 . 1 125 125 LYS CB C 13 32.724 0.3 . 1 . . . . . 125 LYS CB . 27894 1 391 . 1 . 1 125 125 LYS N N 15 120.223 0.3 . 1 . . . . . 125 LYS N . 27894 1 392 . 1 . 1 126 126 SER H H 1 8.330 0.020 . 1 . . . . . 126 SER H . 27894 1 393 . 1 . 1 126 126 SER CA C 13 58.488 0.3 . 1 . . . . . 126 SER CA . 27894 1 394 . 1 . 1 126 126 SER CB C 13 63.595 0.3 . 1 . . . . . 126 SER CB . 27894 1 395 . 1 . 1 126 126 SER N N 15 116.359 0.3 . 1 . . . . . 126 SER N . 27894 1 396 . 1 . 1 127 127 ARG H H 1 8.283 0.020 . 1 . . . . . 127 ARG H . 27894 1 397 . 1 . 1 127 127 ARG CA C 13 55.897 0.3 . 1 . . . . . 127 ARG CA . 27894 1 398 . 1 . 1 127 127 ARG CB C 13 30.595 0.3 . 1 . . . . . 127 ARG CB . 27894 1 399 . 1 . 1 127 127 ARG N N 15 123.177 0.3 . 1 . . . . . 127 ARG N . 27894 1 400 . 1 . 1 128 128 SER H H 1 8.287 0.020 . 1 . . . . . 128 SER H . 27894 1 401 . 1 . 1 128 128 SER CA C 13 58.351 0.3 . 1 . . . . . 128 SER CA . 27894 1 402 . 1 . 1 128 128 SER CB C 13 63.595 0.3 . 1 . . . . . 128 SER CB . 27894 1 403 . 1 . 1 128 128 SER N N 15 116.931 0.3 . 1 . . . . . 128 SER N . 27894 1 404 . 1 . 1 129 129 ARG H H 1 8.320 0.020 . 1 . . . . . 129 ARG H . 27894 1 405 . 1 . 1 129 129 ARG CA C 13 56.034 0.3 . 1 . . . . . 129 ARG CA . 27894 1 406 . 1 . 1 129 129 ARG N N 15 122.822 0.3 . 1 . . . . . 129 ARG N . 27894 1 407 . 1 . 1 130 130 ALA H H 1 7.950 0.020 . 1 . . . . . 130 ALA H . 27894 1 408 . 1 . 1 130 130 ALA CA C 13 53.764 0.3 . 1 . . . . . 130 ALA CA . 27894 1 409 . 1 . 1 130 130 ALA CB C 13 19.763 0.3 . 1 . . . . . 130 ALA CB . 27894 1 410 . 1 . 1 130 130 ALA N N 15 130.835 0.3 . 1 . . . . . 130 ALA N . 27894 1 stop_ save_