data_51654 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51654 _Entry.Title ; Backbone N and HN Chemical Shift Assignments for RBPMS-A (1-122) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-10-06 _Entry.Accession_date 2022-10-06 _Entry.Last_release_date 2022-10-06 _Entry.Original_release_date 2022-10-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 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 Michael Barnhart . D. . . 51654 2 Yi Yang . . . . 51654 3 Erick Nakagaki-Silva . E. . . 51654 4 Thomas Hammond . H. . . 51654 5 Mariavittoria Pizzinga . . . . 51654 6 Clare Gooding . . . . 51654 7 Katherine Stott . . . 0000-0002-4014-1188 51654 8 Christopher Smith . . . . 51654 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Cambridge' . 51654 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51654 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 94 51654 '1H chemical shifts' 94 51654 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2023-02-03 2022-10-06 update BMRB 'update entry citation' 51654 1 . . 2022-10-10 2022-10-06 original author 'original release' 51654 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51654 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36408906 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Phosphorylation of the smooth muscle master splicing regulator RBPMS regulates its splicing activity ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 50 _Citation.Journal_issue 20 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1362-4962 _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 11895 _Citation.Page_last 11915 _Citation.Year 2022 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Michael Barnhart . D. . . 51654 1 2 Yi Yang . . . . 51654 1 3 Erick Nakagaki-Silva . E. . . 51654 1 4 Thomas Hammond . H. . . 51654 1 5 Mariavittoria Pizzinga . . . . 51654 1 6 Clare Gooding . . . . 51654 1 7 Katherine Stott . . . . 51654 1 8 Christopher Smith . . . . 51654 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID RBPMS 51654 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51654 _Assembly.ID 1 _Assembly.Name RBPMS-A _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 RBPMS-A 1 $entity_1 . . yes native no no . . . 51654 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51654 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MNGGGKAEKENTPSEANLQE EEVRTLFVSGLPLDIKPREL YLLFRPFKGYEGSLIKLTSK QPVGFVSFDSRSEAEAAKNA LNGIRFDPEIPQTLRLEFAK ANTKMAKNKLVGTPNPSTPL PN ; _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 122 _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 . MET . 51654 1 2 . ASN . 51654 1 3 . GLY . 51654 1 4 . GLY . 51654 1 5 . GLY . 51654 1 6 . LYS . 51654 1 7 . ALA . 51654 1 8 . GLU . 51654 1 9 . LYS . 51654 1 10 . GLU . 51654 1 11 . ASN . 51654 1 12 . THR . 51654 1 13 . PRO . 51654 1 14 . SER . 51654 1 15 . GLU . 51654 1 16 . ALA . 51654 1 17 . ASN . 51654 1 18 . LEU . 51654 1 19 . GLN . 51654 1 20 . GLU . 51654 1 21 . GLU . 51654 1 22 . GLU . 51654 1 23 . VAL . 51654 1 24 . ARG . 51654 1 25 . THR . 51654 1 26 . LEU . 51654 1 27 . PHE . 51654 1 28 . VAL . 51654 1 29 . SER . 51654 1 30 . GLY . 51654 1 31 . LEU . 51654 1 32 . PRO . 51654 1 33 . LEU . 51654 1 34 . ASP . 51654 1 35 . ILE . 51654 1 36 . LYS . 51654 1 37 . PRO . 51654 1 38 . ARG . 51654 1 39 . GLU . 51654 1 40 . LEU . 51654 1 41 . TYR . 51654 1 42 . LEU . 51654 1 43 . LEU . 51654 1 44 . PHE . 51654 1 45 . ARG . 51654 1 46 . PRO . 51654 1 47 . PHE . 51654 1 48 . LYS . 51654 1 49 . GLY . 51654 1 50 . TYR . 51654 1 51 . GLU . 51654 1 52 . GLY . 51654 1 53 . SER . 51654 1 54 . LEU . 51654 1 55 . ILE . 51654 1 56 . LYS . 51654 1 57 . LEU . 51654 1 58 . THR . 51654 1 59 . SER . 51654 1 60 . LYS . 51654 1 61 . GLN . 51654 1 62 . PRO . 51654 1 63 . VAL . 51654 1 64 . GLY . 51654 1 65 . PHE . 51654 1 66 . VAL . 51654 1 67 . SER . 51654 1 68 . PHE . 51654 1 69 . ASP . 51654 1 70 . SER . 51654 1 71 . ARG . 51654 1 72 . SER . 51654 1 73 . GLU . 51654 1 74 . ALA . 51654 1 75 . GLU . 51654 1 76 . ALA . 51654 1 77 . ALA . 51654 1 78 . LYS . 51654 1 79 . ASN . 51654 1 80 . ALA . 51654 1 81 . LEU . 51654 1 82 . ASN . 51654 1 83 . GLY . 51654 1 84 . ILE . 51654 1 85 . ARG . 51654 1 86 . PHE . 51654 1 87 . ASP . 51654 1 88 . PRO . 51654 1 89 . GLU . 51654 1 90 . ILE . 51654 1 91 . PRO . 51654 1 92 . GLN . 51654 1 93 . THR . 51654 1 94 . LEU . 51654 1 95 . ARG . 51654 1 96 . LEU . 51654 1 97 . GLU . 51654 1 98 . PHE . 51654 1 99 . ALA . 51654 1 100 . LYS . 51654 1 101 . ALA . 51654 1 102 . ASN . 51654 1 103 . THR . 51654 1 104 . LYS . 51654 1 105 . MET . 51654 1 106 . ALA . 51654 1 107 . LYS . 51654 1 108 . ASN . 51654 1 109 . LYS . 51654 1 110 . LEU . 51654 1 111 . VAL . 51654 1 112 . GLY . 51654 1 113 . THR . 51654 1 114 . PRO . 51654 1 115 . ASN . 51654 1 116 . PRO . 51654 1 117 . SER . 51654 1 118 . THR . 51654 1 119 . PRO . 51654 1 120 . LEU . 51654 1 121 . PRO . 51654 1 122 . ASN . 51654 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 51654 1 . ASN 2 2 51654 1 . GLY 3 3 51654 1 . GLY 4 4 51654 1 . GLY 5 5 51654 1 . LYS 6 6 51654 1 . ALA 7 7 51654 1 . GLU 8 8 51654 1 . LYS 9 9 51654 1 . GLU 10 10 51654 1 . ASN 11 11 51654 1 . THR 12 12 51654 1 . PRO 13 13 51654 1 . SER 14 14 51654 1 . GLU 15 15 51654 1 . ALA 16 16 51654 1 . ASN 17 17 51654 1 . LEU 18 18 51654 1 . GLN 19 19 51654 1 . GLU 20 20 51654 1 . GLU 21 21 51654 1 . GLU 22 22 51654 1 . VAL 23 23 51654 1 . ARG 24 24 51654 1 . THR 25 25 51654 1 . LEU 26 26 51654 1 . PHE 27 27 51654 1 . VAL 28 28 51654 1 . SER 29 29 51654 1 . GLY 30 30 51654 1 . LEU 31 31 51654 1 . PRO 32 32 51654 1 . LEU 33 33 51654 1 . ASP 34 34 51654 1 . ILE 35 35 51654 1 . LYS 36 36 51654 1 . PRO 37 37 51654 1 . ARG 38 38 51654 1 . GLU 39 39 51654 1 . LEU 40 40 51654 1 . TYR 41 41 51654 1 . LEU 42 42 51654 1 . LEU 43 43 51654 1 . PHE 44 44 51654 1 . ARG 45 45 51654 1 . PRO 46 46 51654 1 . PHE 47 47 51654 1 . LYS 48 48 51654 1 . GLY 49 49 51654 1 . TYR 50 50 51654 1 . GLU 51 51 51654 1 . GLY 52 52 51654 1 . SER 53 53 51654 1 . LEU 54 54 51654 1 . ILE 55 55 51654 1 . LYS 56 56 51654 1 . LEU 57 57 51654 1 . THR 58 58 51654 1 . SER 59 59 51654 1 . LYS 60 60 51654 1 . GLN 61 61 51654 1 . PRO 62 62 51654 1 . VAL 63 63 51654 1 . GLY 64 64 51654 1 . PHE 65 65 51654 1 . VAL 66 66 51654 1 . SER 67 67 51654 1 . PHE 68 68 51654 1 . ASP 69 69 51654 1 . SER 70 70 51654 1 . ARG 71 71 51654 1 . SER 72 72 51654 1 . GLU 73 73 51654 1 . ALA 74 74 51654 1 . GLU 75 75 51654 1 . ALA 76 76 51654 1 . ALA 77 77 51654 1 . LYS 78 78 51654 1 . ASN 79 79 51654 1 . ALA 80 80 51654 1 . LEU 81 81 51654 1 . ASN 82 82 51654 1 . GLY 83 83 51654 1 . ILE 84 84 51654 1 . ARG 85 85 51654 1 . PHE 86 86 51654 1 . ASP 87 87 51654 1 . PRO 88 88 51654 1 . GLU 89 89 51654 1 . ILE 90 90 51654 1 . PRO 91 91 51654 1 . GLN 92 92 51654 1 . THR 93 93 51654 1 . LEU 94 94 51654 1 . ARG 95 95 51654 1 . LEU 96 96 51654 1 . GLU 97 97 51654 1 . PHE 98 98 51654 1 . ALA 99 99 51654 1 . LYS 100 100 51654 1 . ALA 101 101 51654 1 . ASN 102 102 51654 1 . THR 103 103 51654 1 . LYS 104 104 51654 1 . MET 105 105 51654 1 . ALA 106 106 51654 1 . LYS 107 107 51654 1 . ASN 108 108 51654 1 . LYS 109 109 51654 1 . LEU 110 110 51654 1 . VAL 111 111 51654 1 . GLY 112 112 51654 1 . THR 113 113 51654 1 . PRO 114 114 51654 1 . ASN 115 115 51654 1 . PRO 116 116 51654 1 . SER 117 117 51654 1 . THR 118 118 51654 1 . PRO 119 119 51654 1 . LEU 120 120 51654 1 . PRO 121 121 51654 1 . ASN 122 122 51654 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 51654 _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 . . . . . . . . . . . . . 51654 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 51654 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET-15b . . . 51654 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51654 _Sample.ID 1 _Sample.Name RBPMS-A _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RBPMS-A '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 51654 1 2 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 51654 1 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 51654 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 51654 _Sample_condition_list.ID 1 _Sample_condition_list.Name 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 60 . mM 51654 1 pH 6.8 . pH 51654 1 pressure 1 . atm 51654 1 temperature 310 . K 51654 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51654 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51654 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 51654 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 600 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength '600 MHz' 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 51654 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51654 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 51654 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51654 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51654 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 51654 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51654 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51654 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 6 6 LYS H H 1 8.258 0.000 . 1 . . . . . 6 K HN . 51654 1 2 . 1 . 1 6 6 LYS N N 15 120.554 0.000 . 1 . . . . . 6 K N . 51654 1 3 . 1 . 1 7 7 ALA H H 1 8.477 0.000 . 1 . . . . . 7 A HN . 51654 1 4 . 1 . 1 7 7 ALA N N 15 125.061 0.000 . 1 . . . . . 7 A N . 51654 1 5 . 1 . 1 8 8 GLU H H 1 8.467 0.000 . 1 . . . . . 8 E HN . 51654 1 6 . 1 . 1 8 8 GLU N N 15 120.065 0.000 . 1 . . . . . 8 E N . 51654 1 7 . 1 . 1 9 9 LYS H H 1 8.375 0.000 . 1 . . . . . 9 K HN . 51654 1 8 . 1 . 1 9 9 LYS N N 15 121.149 0.000 . 1 . . . . . 9 K N . 51654 1 9 . 1 . 1 10 10 GLU H H 1 8.540 0.000 . 1 . . . . . 10 E HN . 51654 1 10 . 1 . 1 10 10 GLU N N 15 121.471 0.000 . 1 . . . . . 10 E N . 51654 1 11 . 1 . 1 11 11 ASN H H 1 8.606 0.000 . 1 . . . . . 11 N HN . 51654 1 12 . 1 . 1 11 11 ASN N N 15 119.682 0.000 . 1 . . . . . 11 N N . 51654 1 13 . 1 . 1 12 12 THR H H 1 8.246 0.000 . 1 . . . . . 12 T HN . 51654 1 14 . 1 . 1 12 12 THR N N 15 116.666 0.000 . 1 . . . . . 12 T N . 51654 1 15 . 1 . 1 14 14 SER H H 1 8.521 0.000 . 1 . . . . . 14 S HN . 51654 1 16 . 1 . 1 14 14 SER N N 15 115.998 0.000 . 1 . . . . . 14 S N . 51654 1 17 . 1 . 1 15 15 GLU H H 1 8.555 0.000 . 1 . . . . . 15 E HN . 51654 1 18 . 1 . 1 15 15 GLU N N 15 122.387 0.000 . 1 . . . . . 15 E N . 51654 1 19 . 1 . 1 16 16 ALA H H 1 8.326 0.000 . 1 . . . . . 16 A HN . 51654 1 20 . 1 . 1 16 16 ALA N N 15 123.975 0.000 . 1 . . . . . 16 A N . 51654 1 21 . 1 . 1 17 17 ASN H H 1 8.438 0.000 . 1 . . . . . 17 N HN . 51654 1 22 . 1 . 1 17 17 ASN N N 15 117.344 0.000 . 1 . . . . . 17 N N . 51654 1 23 . 1 . 1 18 18 LEU H H 1 8.258 0.000 . 1 . . . . . 18 L HN . 51654 1 24 . 1 . 1 18 18 LEU N N 15 122.241 0.000 . 1 . . . . . 18 L N . 51654 1 25 . 1 . 1 19 19 GLN H H 1 8.440 0.000 . 1 . . . . . 19 Q HN . 51654 1 26 . 1 . 1 19 19 GLN N N 15 120.375 0.000 . 1 . . . . . 19 Q N . 51654 1 27 . 1 . 1 20 20 GLU H H 1 8.459 0.000 . 1 . . . . . 20 E HN . 51654 1 28 . 1 . 1 20 20 GLU N N 15 121.822 0.000 . 1 . . . . . 20 E N . 51654 1 29 . 1 . 1 21 21 GLU H H 1 8.430 0.000 . 1 . . . . . 21 E HN . 51654 1 30 . 1 . 1 21 21 GLU N N 15 121.082 0.000 . 1 . . . . . 21 E N . 51654 1 31 . 1 . 1 22 22 GLU H H 1 8.516 0.000 . 1 . . . . . 22 E HN . 51654 1 32 . 1 . 1 22 22 GLU N N 15 122.170 0.000 . 1 . . . . . 22 E N . 51654 1 33 . 1 . 1 23 23 VAL H H 1 8.677 0.000 . 1 . . . . . 23 V HN . 51654 1 34 . 1 . 1 23 23 VAL N N 15 125.230 0.000 . 1 . . . . . 23 V N . 51654 1 35 . 1 . 1 24 24 ARG H H 1 9.453 0.000 . 1 . . . . . 24 R HN . 51654 1 36 . 1 . 1 24 24 ARG N N 15 124.340 0.000 . 1 . . . . . 24 R N . 51654 1 37 . 1 . 1 25 25 THR H H 1 7.324 0.000 . 1 . . . . . 25 T HN . 51654 1 38 . 1 . 1 25 25 THR N N 15 114.799 0.000 . 1 . . . . . 25 T N . 51654 1 39 . 1 . 1 26 26 LEU H H 1 9.799 0.000 . 1 . . . . . 26 L HN . 51654 1 40 . 1 . 1 26 26 LEU N N 15 124.220 0.000 . 1 . . . . . 26 L N . 51654 1 41 . 1 . 1 27 27 PHE H H 1 9.592 0.000 . 1 . . . . . 27 F HN . 51654 1 42 . 1 . 1 27 27 PHE N N 15 122.600 0.000 . 1 . . . . . 27 F N . 51654 1 43 . 1 . 1 28 28 VAL H H 1 9.007 0.000 . 1 . . . . . 28 V HN . 51654 1 44 . 1 . 1 28 28 VAL N N 15 126.891 0.000 . 1 . . . . . 28 V N . 51654 1 45 . 1 . 1 29 29 SER H H 1 9.085 0.000 . 1 . . . . . 29 S HN . 51654 1 46 . 1 . 1 29 29 SER N N 15 119.861 0.000 . 1 . . . . . 29 S N . 51654 1 47 . 1 . 1 30 30 GLY H H 1 8.775 0.000 . 1 . . . . . 30 G HN . 51654 1 48 . 1 . 1 30 30 GLY N N 15 108.479 0.000 . 1 . . . . . 30 G N . 51654 1 49 . 1 . 1 31 31 LEU H H 1 7.582 0.000 . 1 . . . . . 31 L HN . 51654 1 50 . 1 . 1 31 31 LEU N N 15 118.823 0.000 . 1 . . . . . 31 L N . 51654 1 51 . 1 . 1 33 33 LEU H H 1 8.490 0.000 . 1 . . . . . 33 L HN . 51654 1 52 . 1 . 1 33 33 LEU N N 15 117.560 0.000 . 1 . . . . . 33 L N . 51654 1 53 . 1 . 1 34 34 ASP H H 1 8.007 0.000 . 1 . . . . . 34 D HN . 51654 1 54 . 1 . 1 34 34 ASP N N 15 114.271 0.000 . 1 . . . . . 34 D N . 51654 1 55 . 1 . 1 35 35 ILE H H 1 7.167 0.000 . 1 . . . . . 35 I HN . 51654 1 56 . 1 . 1 35 35 ILE N N 15 118.745 0.000 . 1 . . . . . 35 I N . 51654 1 57 . 1 . 1 36 36 LYS H H 1 9.086 0.000 . 1 . . . . . 36 K HN . 51654 1 58 . 1 . 1 36 36 LYS N N 15 126.318 0.000 . 1 . . . . . 36 K N . 51654 1 59 . 1 . 1 38 38 ARG H H 1 9.072 0.000 . 1 . . . . . 38 R HN . 51654 1 60 . 1 . 1 38 38 ARG N N 15 115.059 0.000 . 1 . . . . . 38 R N . 51654 1 61 . 1 . 1 39 39 GLU H H 1 8.484 0.000 . 1 . . . . . 39 E HN . 51654 1 62 . 1 . 1 39 39 GLU N N 15 119.414 0.000 . 1 . . . . . 39 E N . 51654 1 63 . 1 . 1 40 40 LEU H H 1 7.343 0.000 . 1 . . . . . 40 L HN . 51654 1 64 . 1 . 1 40 40 LEU N N 15 115.485 0.000 . 1 . . . . . 40 L N . 51654 1 65 . 1 . 1 41 41 TYR H H 1 6.980 0.000 . 1 . . . . . 41 Y HN . 51654 1 66 . 1 . 1 41 41 TYR N N 15 119.549 0.000 . 1 . . . . . 41 Y N . 51654 1 67 . 1 . 1 42 42 LEU H H 1 8.342 0.000 . 1 . . . . . 42 L HN . 51654 1 68 . 1 . 1 42 42 LEU N N 15 118.133 0.000 . 1 . . . . . 42 L N . 51654 1 69 . 1 . 1 43 43 LEU H H 1 7.688 0.000 . 1 . . . . . 43 L HN . 51654 1 70 . 1 . 1 43 43 LEU N N 15 116.972 0.000 . 1 . . . . . 43 L N . 51654 1 71 . 1 . 1 44 44 PHE H H 1 7.565 0.000 . 1 . . . . . 44 F HN . 51654 1 72 . 1 . 1 44 44 PHE N N 15 110.184 0.000 . 1 . . . . . 44 F N . 51654 1 73 . 1 . 1 45 45 ARG H H 1 8.013 0.000 . 1 . . . . . 45 R HN . 51654 1 74 . 1 . 1 45 45 ARG N N 15 120.565 0.000 . 1 . . . . . 45 R N . 51654 1 75 . 1 . 1 47 47 PHE H H 1 8.114 0.000 . 1 . . . . . 47 F HN . 51654 1 76 . 1 . 1 47 47 PHE N N 15 117.164 0.000 . 1 . . . . . 47 F N . 51654 1 77 . 1 . 1 48 48 LYS H H 1 8.788 0.000 . 1 . . . . . 48 K HN . 51654 1 78 . 1 . 1 48 48 LYS N N 15 126.724 0.000 . 1 . . . . . 48 K N . 51654 1 79 . 1 . 1 49 49 GLY H H 1 9.101 0.000 . 1 . . . . . 49 G HN . 51654 1 80 . 1 . 1 49 49 GLY N N 15 109.634 0.000 . 1 . . . . . 49 G N . 51654 1 81 . 1 . 1 50 50 TYR H H 1 7.742 0.000 . 1 . . . . . 50 Y HN . 51654 1 82 . 1 . 1 50 50 TYR N N 15 120.706 0.000 . 1 . . . . . 50 Y N . 51654 1 83 . 1 . 1 51 51 GLU H H 1 8.453 0.000 . 1 . . . . . 51 E HN . 51654 1 84 . 1 . 1 51 51 GLU N N 15 108.455 0.000 . 1 . . . . . 51 E N . 51654 1 85 . 1 . 1 52 52 GLY H H 1 6.450 0.000 . 1 . . . . . 52 G HN . 51654 1 86 . 1 . 1 52 52 GLY N N 15 103.907 0.000 . 1 . . . . . 52 G N . 51654 1 87 . 1 . 1 53 53 SER H H 1 8.433 0.000 . 1 . . . . . 53 S HN . 51654 1 88 . 1 . 1 53 53 SER N N 15 110.212 0.000 . 1 . . . . . 53 S N . 51654 1 89 . 1 . 1 54 54 LEU H H 1 9.026 0.000 . 1 . . . . . 54 L HN . 51654 1 90 . 1 . 1 54 54 LEU N N 15 119.063 0.000 . 1 . . . . . 54 L N . 51654 1 91 . 1 . 1 55 55 ILE H H 1 8.795 0.000 . 1 . . . . . 55 I HN . 51654 1 92 . 1 . 1 55 55 ILE N N 15 121.141 0.000 . 1 . . . . . 55 I N . 51654 1 93 . 1 . 1 56 56 LYS H H 1 9.286 0.000 . 1 . . . . . 56 K HN . 51654 1 94 . 1 . 1 56 56 LYS N N 15 126.839 0.000 . 1 . . . . . 56 K N . 51654 1 95 . 1 . 1 57 57 LEU H H 1 8.797 0.000 . 1 . . . . . 57 L HN . 51654 1 96 . 1 . 1 57 57 LEU N N 15 124.530 0.000 . 1 . . . . . 57 L N . 51654 1 97 . 1 . 1 63 63 VAL H H 1 8.832 0.000 . 1 . . . . . 63 V HN . 51654 1 98 . 1 . 1 63 63 VAL N N 15 117.112 0.000 . 1 . . . . . 63 V N . 51654 1 99 . 1 . 1 64 64 GLY H H 1 8.846 0.000 . 1 . . . . . 64 G HN . 51654 1 100 . 1 . 1 64 64 GLY N N 15 107.514 0.000 . 1 . . . . . 64 G N . 51654 1 101 . 1 . 1 65 65 PHE H H 1 9.087 0.000 . 1 . . . . . 65 F HN . 51654 1 102 . 1 . 1 65 65 PHE N N 15 119.103 0.000 . 1 . . . . . 65 F N . 51654 1 103 . 1 . 1 66 66 VAL H H 1 9.143 0.000 . 1 . . . . . 66 V HN . 51654 1 104 . 1 . 1 66 66 VAL N N 15 122.134 0.000 . 1 . . . . . 66 V N . 51654 1 105 . 1 . 1 67 67 SER H H 1 8.778 0.000 . 1 . . . . . 67 S HN . 51654 1 106 . 1 . 1 67 67 SER N N 15 121.948 0.000 . 1 . . . . . 67 S N . 51654 1 107 . 1 . 1 69 69 ASP H H 1 9.544 0.000 . 1 . . . . . 69 D HN . 51654 1 108 . 1 . 1 69 69 ASP N N 15 119.154 0.000 . 1 . . . . . 69 D N . 51654 1 109 . 1 . 1 70 70 SER H H 1 7.787 0.000 . 1 . . . . . 70 S HN . 51654 1 110 . 1 . 1 70 70 SER N N 15 108.389 0.000 . 1 . . . . . 70 S N . 51654 1 111 . 1 . 1 71 71 ARG H H 1 9.544 0.000 . 1 . . . . . 71 R HN . 51654 1 112 . 1 . 1 71 71 ARG N N 15 124.631 0.000 . 1 . . . . . 71 R N . 51654 1 113 . 1 . 1 72 72 SER H H 1 8.910 0.000 . 1 . . . . . 72 S HN . 51654 1 114 . 1 . 1 72 72 SER N N 15 113.816 0.000 . 1 . . . . . 72 S N . 51654 1 115 . 1 . 1 73 73 GLU H H 1 7.792 0.000 . 1 . . . . . 73 E HN . 51654 1 116 . 1 . 1 73 73 GLU N N 15 122.534 0.000 . 1 . . . . . 73 E N . 51654 1 117 . 1 . 1 74 74 ALA H H 1 7.568 0.000 . 1 . . . . . 74 A HN . 51654 1 118 . 1 . 1 74 74 ALA N N 15 122.622 0.000 . 1 . . . . . 74 A N . 51654 1 119 . 1 . 1 75 75 GLU H H 1 8.955 0.000 . 1 . . . . . 75 E HN . 51654 1 120 . 1 . 1 75 75 GLU N N 15 118.176 0.000 . 1 . . . . . 75 E N . 51654 1 121 . 1 . 1 76 76 ALA H H 1 7.675 0.000 . 1 . . . . . 76 A HN . 51654 1 122 . 1 . 1 76 76 ALA N N 15 119.833 0.000 . 1 . . . . . 76 A N . 51654 1 123 . 1 . 1 77 77 ALA H H 1 7.197 0.000 . 1 . . . . . 77 A HN . 51654 1 124 . 1 . 1 77 77 ALA N N 15 120.457 0.000 . 1 . . . . . 77 A N . 51654 1 125 . 1 . 1 78 78 LYS H H 1 8.119 0.000 . 1 . . . . . 78 K HN . 51654 1 126 . 1 . 1 78 78 LYS N N 15 117.777 0.000 . 1 . . . . . 78 K N . 51654 1 127 . 1 . 1 79 79 ASN H H 1 8.282 0.000 . 1 . . . . . 79 N HN . 51654 1 128 . 1 . 1 79 79 ASN N N 15 114.450 0.000 . 1 . . . . . 79 N N . 51654 1 129 . 1 . 1 80 80 ALA H H 1 7.791 0.000 . 1 . . . . . 80 A HN . 51654 1 130 . 1 . 1 80 80 ALA N N 15 120.270 0.000 . 1 . . . . . 80 A N . 51654 1 131 . 1 . 1 81 81 LEU H H 1 7.658 0.000 . 1 . . . . . 81 L HN . 51654 1 132 . 1 . 1 81 81 LEU N N 15 114.109 0.000 . 1 . . . . . 81 L N . 51654 1 133 . 1 . 1 82 82 ASN H H 1 7.682 0.000 . 1 . . . . . 82 N HN . 51654 1 134 . 1 . 1 82 82 ASN N N 15 117.718 0.000 . 1 . . . . . 82 N N . 51654 1 135 . 1 . 1 83 83 GLY H H 1 8.867 0.000 . 1 . . . . . 83 G HN . 51654 1 136 . 1 . 1 83 83 GLY N N 15 111.773 0.000 . 1 . . . . . 83 G N . 51654 1 137 . 1 . 1 84 84 ILE H H 1 7.630 0.000 . 1 . . . . . 84 I HN . 51654 1 138 . 1 . 1 84 84 ILE N N 15 115.294 0.000 . 1 . . . . . 84 I N . 51654 1 139 . 1 . 1 85 85 ARG H H 1 8.641 0.000 . 1 . . . . . 85 R HN . 51654 1 140 . 1 . 1 85 85 ARG N N 15 119.675 0.000 . 1 . . . . . 85 R N . 51654 1 141 . 1 . 1 86 86 PHE H H 1 8.643 0.000 . 1 . . . . . 86 F HN . 51654 1 142 . 1 . 1 86 86 PHE N N 15 126.401 0.000 . 1 . . . . . 86 F N . 51654 1 143 . 1 . 1 87 87 ASP H H 1 8.008 0.000 . 1 . . . . . 87 D HN . 51654 1 144 . 1 . 1 87 87 ASP N N 15 110.765 0.000 . 1 . . . . . 87 D N . 51654 1 145 . 1 . 1 89 89 GLU H H 1 8.427 0.000 . 1 . . . . . 89 E HN . 51654 1 146 . 1 . 1 89 89 GLU N N 15 115.263 0.000 . 1 . . . . . 89 E N . 51654 1 147 . 1 . 1 90 90 ILE H H 1 8.228 0.000 . 1 . . . . . 90 I HN . 51654 1 148 . 1 . 1 90 90 ILE N N 15 121.204 0.000 . 1 . . . . . 90 I N . 51654 1 149 . 1 . 1 94 94 LEU H H 1 9.028 0.000 . 1 . . . . . 94 L HN . 51654 1 150 . 1 . 1 94 94 LEU N N 15 121.126 0.000 . 1 . . . . . 94 L N . 51654 1 151 . 1 . 1 95 95 ARG H H 1 8.491 0.000 . 1 . . . . . 95 R HN . 51654 1 152 . 1 . 1 95 95 ARG N N 15 124.178 0.000 . 1 . . . . . 95 R N . 51654 1 153 . 1 . 1 96 96 LEU H H 1 8.956 0.000 . 1 . . . . . 96 L HN . 51654 1 154 . 1 . 1 96 96 LEU N N 15 125.445 0.000 . 1 . . . . . 96 L N . 51654 1 155 . 1 . 1 97 97 GLU H H 1 8.499 0.000 . 1 . . . . . 97 E HN . 51654 1 156 . 1 . 1 97 97 GLU N N 15 118.942 0.000 . 1 . . . . . 97 E N . 51654 1 157 . 1 . 1 98 98 PHE H H 1 9.371 0.000 . 1 . . . . . 98 F HN . 51654 1 158 . 1 . 1 98 98 PHE N N 15 120.909 0.000 . 1 . . . . . 98 F N . 51654 1 159 . 1 . 1 99 99 ALA H H 1 8.772 0.000 . 1 . . . . . 99 A HN . 51654 1 160 . 1 . 1 99 99 ALA N N 15 124.595 0.000 . 1 . . . . . 99 A N . 51654 1 161 . 1 . 1 100 100 LYS H H 1 8.683 0.000 . 1 . . . . . 100 K HN . 51654 1 162 . 1 . 1 100 100 LYS N N 15 117.244 0.000 . 1 . . . . . 100 K N . 51654 1 163 . 1 . 1 101 101 ALA H H 1 7.917 0.000 . 1 . . . . . 101 A HN . 51654 1 164 . 1 . 1 101 101 ALA N N 15 118.920 0.000 . 1 . . . . . 101 A N . 51654 1 165 . 1 . 1 106 106 ALA H H 1 8.287 0.000 . 1 . . . . . 106 A HN . 51654 1 166 . 1 . 1 106 106 ALA N N 15 124.546 0.000 . 1 . . . . . 106 A N . 51654 1 167 . 1 . 1 107 107 LYS H H 1 8.437 0.000 . 1 . . . . . 107 K HN . 51654 1 168 . 1 . 1 107 107 LYS N N 15 120.557 0.000 . 1 . . . . . 107 K N . 51654 1 169 . 1 . 1 108 108 ASN H H 1 8.490 0.000 . 1 . . . . . 108 N HN . 51654 1 170 . 1 . 1 108 108 ASN N N 15 118.953 0.000 . 1 . . . . . 108 N N . 51654 1 171 . 1 . 1 109 109 LYS H H 1 8.434 0.000 . 1 . . . . . 109 K HN . 51654 1 172 . 1 . 1 109 109 LYS N N 15 120.866 0.000 . 1 . . . . . 109 K N . 51654 1 173 . 1 . 1 110 110 LEU H H 1 8.286 0.000 . 1 . . . . . 110 L HN . 51654 1 174 . 1 . 1 110 110 LEU N N 15 122.508 0.000 . 1 . . . . . 110 L N . 51654 1 175 . 1 . 1 111 111 VAL H H 1 8.242 0.000 . 1 . . . . . 111 V HN . 51654 1 176 . 1 . 1 111 111 VAL N N 15 119.900 0.000 . 1 . . . . . 111 V N . 51654 1 177 . 1 . 1 112 112 GLY H H 1 8.560 0.000 . 1 . . . . . 112 G HN . 51654 1 178 . 1 . 1 112 112 GLY N N 15 111.746 0.000 . 1 . . . . . 112 G N . 51654 1 179 . 1 . 1 113 113 THR H H 1 8.129 0.000 . 1 . . . . . 113 T HN . 51654 1 180 . 1 . 1 113 113 THR N N 15 115.534 0.000 . 1 . . . . . 113 T N . 51654 1 181 . 1 . 1 117 117 SER H H 1 8.518 0.000 . 1 . . . . . 117 S HN . 51654 1 182 . 1 . 1 117 117 SER N N 15 115.346 0.000 . 1 . . . . . 117 S N . 51654 1 183 . 1 . 1 118 118 THR H H 1 8.138 0.000 . 1 . . . . . 118 T HN . 51654 1 184 . 1 . 1 118 118 THR N N 15 117.768 0.000 . 1 . . . . . 118 T N . 51654 1 185 . 1 . 1 120 120 LEU H H 1 8.405 0.000 . 1 . . . . . 120 L HN . 51654 1 186 . 1 . 1 120 120 LEU N N 15 123.538 0.000 . 1 . . . . . 120 L N . 51654 1 187 . 1 . 1 122 122 ASN H H 1 8.016 0.000 . 1 . . . . . 122 N HN . 51654 1 188 . 1 . 1 122 122 ASN N N 15 123.740 0.000 . 1 . . . . . 122 N N . 51654 1 stop_ save_