data_11585 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11585 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for c-Myb R2R3 V103L/C130I ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-11-28 _Entry.Accession_date 2014-11-28 _Entry.Last_release_date 2015-12-09 _Entry.Original_release_date 2015-12-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1.1.61 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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.Entry_ID 1 Satomi Inaba . . . 11585 2 Takahisa Ikegami . . . 11585 3 Masayuki Oda . . . 11585 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11585 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 70 11585 '15N chemical shifts' 84 11585 '1H chemical shifts' 84 11585 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 . . 2015-12-09 . original BMRB . 11585 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 11584 'Backbone 1H, 13C, and 15N Chemical Shift Assignments for c-Myb R2R3 C130I' 11585 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11585 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Molecular strategy of c-Myb DNA-binding domain for function: Low-populated unfolding species revealed from temperature-dependent (NMR) studies ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 . _Citation.Page_last . _Citation.Year . _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.Entry_ID _Citation_author.Citation_ID 1 Satomi Inaba . . . 11585 1 2 Akihiro Maeno . . . 11585 1 3 Kazumasa Sakurai . . . 11585 1 4 Sunilkumar Puthenpurackal . Narayanan . 11585 1 5 Takahisa Ikegami . . . 11585 1 6 Kazuyuki Akasaka . . . 11585 1 7 Masayuki Oda . . . 11585 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11585 _Assembly.ID 1 _Assembly.Name 'c-Myb R2R3 V103L/C130I' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _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 'c-Myb R2R3 V103L/C130I' 1 $c-Myb_R2R3_V103L-C130I A . yes native no no . . . 11585 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_c-Myb_R2R3_V103L-C130I _Entity.Sf_category entity _Entity.Sf_framecode c-Myb_R2R3_V103L-C130I _Entity.Entry_ID 11585 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'c-Myb R2R3 V103L/C130I' _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 ; LIKGPWTKEEDQRLIKLVQK YGPKRWSVIAKHLKGRIGKQ IRERWHNHLNPEVKKTSWTE EEDRIIYQAHKRLGNRWAEI AKLLPGRTDNAIKNHWNSTM RRKV ; _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 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _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 90 LEU . 11585 1 2 91 ILE . 11585 1 3 92 LYS . 11585 1 4 93 GLY . 11585 1 5 94 PRO . 11585 1 6 95 TRP . 11585 1 7 96 THR . 11585 1 8 97 LYS . 11585 1 9 98 GLU . 11585 1 10 99 GLU . 11585 1 11 100 ASP . 11585 1 12 101 GLN . 11585 1 13 102 ARG . 11585 1 14 103 LEU . 11585 1 15 104 ILE . 11585 1 16 105 LYS . 11585 1 17 106 LEU . 11585 1 18 107 VAL . 11585 1 19 108 GLN . 11585 1 20 109 LYS . 11585 1 21 110 TYR . 11585 1 22 111 GLY . 11585 1 23 112 PRO . 11585 1 24 113 LYS . 11585 1 25 114 ARG . 11585 1 26 115 TRP . 11585 1 27 116 SER . 11585 1 28 117 VAL . 11585 1 29 118 ILE . 11585 1 30 119 ALA . 11585 1 31 120 LYS . 11585 1 32 121 HIS . 11585 1 33 122 LEU . 11585 1 34 123 LYS . 11585 1 35 124 GLY . 11585 1 36 125 ARG . 11585 1 37 126 ILE . 11585 1 38 127 GLY . 11585 1 39 128 LYS . 11585 1 40 129 GLN . 11585 1 41 130 ILE . 11585 1 42 131 ARG . 11585 1 43 132 GLU . 11585 1 44 133 ARG . 11585 1 45 134 TRP . 11585 1 46 135 HIS . 11585 1 47 136 ASN . 11585 1 48 137 HIS . 11585 1 49 138 LEU . 11585 1 50 139 ASN . 11585 1 51 140 PRO . 11585 1 52 141 GLU . 11585 1 53 142 VAL . 11585 1 54 143 LYS . 11585 1 55 144 LYS . 11585 1 56 145 THR . 11585 1 57 146 SER . 11585 1 58 147 TRP . 11585 1 59 148 THR . 11585 1 60 149 GLU . 11585 1 61 150 GLU . 11585 1 62 151 GLU . 11585 1 63 152 ASP . 11585 1 64 153 ARG . 11585 1 65 154 ILE . 11585 1 66 155 ILE . 11585 1 67 156 TYR . 11585 1 68 157 GLN . 11585 1 69 158 ALA . 11585 1 70 159 HIS . 11585 1 71 160 LYS . 11585 1 72 161 ARG . 11585 1 73 162 LEU . 11585 1 74 163 GLY . 11585 1 75 164 ASN . 11585 1 76 165 ARG . 11585 1 77 166 TRP . 11585 1 78 167 ALA . 11585 1 79 168 GLU . 11585 1 80 169 ILE . 11585 1 81 170 ALA . 11585 1 82 171 LYS . 11585 1 83 172 LEU . 11585 1 84 173 LEU . 11585 1 85 174 PRO . 11585 1 86 175 GLY . 11585 1 87 176 ARG . 11585 1 88 177 THR . 11585 1 89 178 ASP . 11585 1 90 179 ASN . 11585 1 91 180 ALA . 11585 1 92 181 ILE . 11585 1 93 182 LYS . 11585 1 94 183 ASN . 11585 1 95 184 HIS . 11585 1 96 185 TRP . 11585 1 97 186 ASN . 11585 1 98 187 SER . 11585 1 99 188 THR . 11585 1 100 189 MET . 11585 1 101 190 ARG . 11585 1 102 191 ARG . 11585 1 103 192 LYS . 11585 1 104 193 VAL . 11585 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 . LEU 1 1 11585 1 . ILE 2 2 11585 1 . LYS 3 3 11585 1 . GLY 4 4 11585 1 . PRO 5 5 11585 1 . TRP 6 6 11585 1 . THR 7 7 11585 1 . LYS 8 8 11585 1 . GLU 9 9 11585 1 . GLU 10 10 11585 1 . ASP 11 11 11585 1 . GLN 12 12 11585 1 . ARG 13 13 11585 1 . LEU 14 14 11585 1 . ILE 15 15 11585 1 . LYS 16 16 11585 1 . LEU 17 17 11585 1 . VAL 18 18 11585 1 . GLN 19 19 11585 1 . LYS 20 20 11585 1 . TYR 21 21 11585 1 . GLY 22 22 11585 1 . PRO 23 23 11585 1 . LYS 24 24 11585 1 . ARG 25 25 11585 1 . TRP 26 26 11585 1 . SER 27 27 11585 1 . VAL 28 28 11585 1 . ILE 29 29 11585 1 . ALA 30 30 11585 1 . LYS 31 31 11585 1 . HIS 32 32 11585 1 . LEU 33 33 11585 1 . LYS 34 34 11585 1 . GLY 35 35 11585 1 . ARG 36 36 11585 1 . ILE 37 37 11585 1 . GLY 38 38 11585 1 . LYS 39 39 11585 1 . GLN 40 40 11585 1 . ILE 41 41 11585 1 . ARG 42 42 11585 1 . GLU 43 43 11585 1 . ARG 44 44 11585 1 . TRP 45 45 11585 1 . HIS 46 46 11585 1 . ASN 47 47 11585 1 . HIS 48 48 11585 1 . LEU 49 49 11585 1 . ASN 50 50 11585 1 . PRO 51 51 11585 1 . GLU 52 52 11585 1 . VAL 53 53 11585 1 . LYS 54 54 11585 1 . LYS 55 55 11585 1 . THR 56 56 11585 1 . SER 57 57 11585 1 . TRP 58 58 11585 1 . THR 59 59 11585 1 . GLU 60 60 11585 1 . GLU 61 61 11585 1 . GLU 62 62 11585 1 . ASP 63 63 11585 1 . ARG 64 64 11585 1 . ILE 65 65 11585 1 . ILE 66 66 11585 1 . TYR 67 67 11585 1 . GLN 68 68 11585 1 . ALA 69 69 11585 1 . HIS 70 70 11585 1 . LYS 71 71 11585 1 . ARG 72 72 11585 1 . LEU 73 73 11585 1 . GLY 74 74 11585 1 . ASN 75 75 11585 1 . ARG 76 76 11585 1 . TRP 77 77 11585 1 . ALA 78 78 11585 1 . GLU 79 79 11585 1 . ILE 80 80 11585 1 . ALA 81 81 11585 1 . LYS 82 82 11585 1 . LEU 83 83 11585 1 . LEU 84 84 11585 1 . PRO 85 85 11585 1 . GLY 86 86 11585 1 . ARG 87 87 11585 1 . THR 88 88 11585 1 . ASP 89 89 11585 1 . ASN 90 90 11585 1 . ALA 91 91 11585 1 . ILE 92 92 11585 1 . LYS 93 93 11585 1 . ASN 94 94 11585 1 . HIS 95 95 11585 1 . TRP 96 96 11585 1 . ASN 97 97 11585 1 . SER 98 98 11585 1 . THR 99 99 11585 1 . MET 100 100 11585 1 . ARG 101 101 11585 1 . ARG 102 102 11585 1 . LYS 103 103 11585 1 . VAL 104 104 11585 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 11585 _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 $c-Myb_R2R3_V103L-C130I . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . 'V103L mutant' . . . . . . . . . . . 11585 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 11585 _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 $c-Myb_R2R3_V103L-C130I . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . pAR . . . 11585 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11585 _Sample.ID 1 _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 'c-Myb R2R3 V103L/C130I' '[U-99% 15N]' . . 1 $c-Myb_R2R3_V103L-C130I . protein 1.0 . . mM . . . . 11585 1 2 TRIS 'natural abundance' . . . . . buffer 25 . . mM . . . . 11585 1 3 'potassium chloride' 'natural abundance' . . . . . salt 20 . . mM . . . . 11585 1 4 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 11585 1 5 D2O U-2H . . . . . solvent 10 . . % . . . . 11585 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 11585 _Sample_condition_list.ID 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' 45 . mM 11585 1 pH 7.5 . pH 11585 1 pressure 1 . atm 11585 1 temperature 293 . K 11585 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 11585 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 11585 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11585 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 11585 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 11585 _NMR_spectrometer_list.ID 1 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 . 950 . . . 11585 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 11585 _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 . . . . . . . . . . . . . . . . 11585 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11585 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 11585 _Chem_shift_reference.ID 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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 11585 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 11585 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 11585 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 11585 _Assigned_chem_shift_list.ID 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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.25 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 11585 1 2 '3D HNCA' 1 $sample_1 isotropic 11585 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 LEU H H 1 8.322 0.01 . 1 . . . . 90 LEU H . 11585 1 2 . 1 1 1 1 LEU CA C 13 54.842 0.25 . 1 . . . . 90 LEU CA . 11585 1 3 . 1 1 1 1 LEU N N 15 124.194 0.1 . 1 . . . . 90 LEU N . 11585 1 4 . 1 1 2 2 ILE H H 1 8.582 0.01 . 1 . . . . 91 ILE H . 11585 1 5 . 1 1 2 2 ILE CA C 13 61.235 0.25 . 1 . . . . 91 ILE CA . 11585 1 6 . 1 1 2 2 ILE N N 15 124.185 0.1 . 1 . . . . 91 ILE N . 11585 1 7 . 1 1 3 3 LYS H H 1 8.578 0.01 . 1 . . . . 92 LYS H . 11585 1 8 . 1 1 3 3 LYS CA C 13 56.063 0.25 . 1 . . . . 92 LYS CA . 11585 1 9 . 1 1 3 3 LYS N N 15 126.14 0.1 . 1 . . . . 92 LYS N . 11585 1 10 . 1 1 4 4 GLY H H 1 7.964 0.01 . 1 . . . . 93 GLY H . 11585 1 11 . 1 1 4 4 GLY CA C 13 44.499 0.25 . 1 . . . . 93 GLY CA . 11585 1 12 . 1 1 4 4 GLY N N 15 109.12 0.1 . 1 . . . . 93 GLY N . 11585 1 13 . 1 1 5 5 PRO CA C 13 62.841 0.25 . 1 . . . . 94 PRO CA . 11585 1 14 . 1 1 6 6 TRP H H 1 8.587 0.01 . 1 . . . . 95 TRP H . 11585 1 15 . 1 1 6 6 TRP CA C 13 58.417 0.25 . 1 . . . . 95 TRP CA . 11585 1 16 . 1 1 6 6 TRP N N 15 123.291 0.1 . 1 . . . . 95 TRP N . 11585 1 17 . 1 1 7 7 THR H H 1 8.38 0.01 . 1 . . . . 96 THR H . 11585 1 18 . 1 1 7 7 THR N N 15 115.989 0.1 . 1 . . . . 96 THR N . 11585 1 19 . 1 1 8 8 LYS H H 1 8.867 0.01 . 1 . . . . 97 LYS H . 11585 1 20 . 1 1 8 8 LYS N N 15 121.611 0.1 . 1 . . . . 97 LYS N . 11585 1 21 . 1 1 9 9 GLU H H 1 8.671 0.01 . 1 . . . . 98 GLU H . 11585 1 22 . 1 1 9 9 GLU CA C 13 60.149 0.25 . 1 . . . . 98 GLU CA . 11585 1 23 . 1 1 9 9 GLU N N 15 118.512 0.1 . 1 . . . . 98 GLU N . 11585 1 24 . 1 1 10 10 GLU H H 1 7.855 0.01 . 1 . . . . 99 GLU H . 11585 1 25 . 1 1 10 10 GLU CA C 13 60.263 0.25 . 1 . . . . 99 GLU CA . 11585 1 26 . 1 1 10 10 GLU N N 15 122.394 0.1 . 1 . . . . 99 GLU N . 11585 1 27 . 1 1 11 11 ASP H H 1 8.531 0.01 . 1 . . . . 100 ASP H . 11585 1 28 . 1 1 11 11 ASP CA C 13 57.659 0.25 . 1 . . . . 100 ASP CA . 11585 1 29 . 1 1 11 11 ASP N N 15 120.49 0.1 . 1 . . . . 100 ASP N . 11585 1 30 . 1 1 12 12 GLN H H 1 8.257 0.01 . 1 . . . . 101 GLN H . 11585 1 31 . 1 1 12 12 GLN CA C 13 58.905 0.25 . 1 . . . . 101 GLN CA . 11585 1 32 . 1 1 12 12 GLN N N 15 116.81 0.1 . 1 . . . . 101 GLN N . 11585 1 33 . 1 1 13 13 ARG H H 1 8.092 0.01 . 1 . . . . 102 ARG H . 11585 1 34 . 1 1 13 13 ARG CA C 13 59.726 0.25 . 1 . . . . 102 ARG CA . 11585 1 35 . 1 1 13 13 ARG N N 15 120.581 0.1 . 1 . . . . 102 ARG N . 11585 1 36 . 1 1 14 14 LEU H H 1 8.881 0.01 . 1 . . . . 103 LEU H . 11585 1 37 . 1 1 14 14 LEU CA C 13 59.095 0.25 . 1 . . . . 103 LEU CA . 11585 1 38 . 1 1 14 14 LEU N N 15 121.47 0.1 . 1 . . . . 103 LEU N . 11585 1 39 . 1 1 15 15 ILE H H 1 8.55 0.01 . 1 . . . . 104 ILE H . 11585 1 40 . 1 1 15 15 ILE CA C 13 66.601 0.25 . 1 . . . . 104 ILE CA . 11585 1 41 . 1 1 15 15 ILE N N 15 119.394 0.1 . 1 . . . . 104 ILE N . 11585 1 42 . 1 1 17 17 LEU H H 1 8.507 0.01 . 1 . . . . 106 LEU H . 11585 1 43 . 1 1 17 17 LEU CA C 13 58.069 0.25 . 1 . . . . 106 LEU CA . 11585 1 44 . 1 1 17 17 LEU N N 15 122.064 0.1 . 1 . . . . 106 LEU N . 11585 1 45 . 1 1 18 18 VAL H H 1 8.642 0.01 . 1 . . . . 107 VAL H . 11585 1 46 . 1 1 18 18 VAL N N 15 121.675 0.1 . 1 . . . . 107 VAL N . 11585 1 47 . 1 1 19 19 GLN H H 1 7.895 0.01 . 1 . . . . 108 GLN H . 11585 1 48 . 1 1 19 19 GLN CA C 13 59.108 0.25 . 1 . . . . 108 GLN CA . 11585 1 49 . 1 1 19 19 GLN N N 15 120.494 0.1 . 1 . . . . 108 GLN N . 11585 1 50 . 1 1 20 20 LYS H H 1 7.383 0.01 . 1 . . . . 109 LYS H . 11585 1 51 . 1 1 20 20 LYS CA C 13 58.915 0.25 . 1 . . . . 109 LYS CA . 11585 1 52 . 1 1 20 20 LYS N N 15 117.94 0.1 . 1 . . . . 109 LYS N . 11585 1 53 . 1 1 21 21 TYR H H 1 8.503 0.01 . 1 . . . . 110 TYR H . 11585 1 54 . 1 1 21 21 TYR CA C 13 59.734 0.25 . 1 . . . . 110 TYR CA . 11585 1 55 . 1 1 21 21 TYR N N 15 115.087 0.1 . 1 . . . . 110 TYR N . 11585 1 56 . 1 1 22 22 GLY H H 1 8.112 0.01 . 1 . . . . 111 GLY H . 11585 1 57 . 1 1 22 22 GLY CA C 13 44.374 0.25 . 1 . . . . 111 GLY CA . 11585 1 58 . 1 1 22 22 GLY N N 15 110.568 0.1 . 1 . . . . 111 GLY N . 11585 1 59 . 1 1 26 26 TRP H H 1 7.166 0.01 . 1 . . . . 115 TRP H . 11585 1 60 . 1 1 26 26 TRP CA C 13 59.778 0.25 . 1 . . . . 115 TRP CA . 11585 1 61 . 1 1 26 26 TRP N N 15 120.748 0.1 . 1 . . . . 115 TRP N . 11585 1 62 . 1 1 28 28 VAL H H 1 7.236 0.01 . 1 . . . . 117 VAL H . 11585 1 63 . 1 1 28 28 VAL CA C 13 65.553 0.25 . 1 . . . . 117 VAL CA . 11585 1 64 . 1 1 28 28 VAL N N 15 123.748 0.1 . 1 . . . . 117 VAL N . 11585 1 65 . 1 1 29 29 ILE H H 1 7.44 0.01 . 1 . . . . 118 ILE H . 11585 1 66 . 1 1 29 29 ILE CA C 13 66.335 0.25 . 1 . . . . 118 ILE CA . 11585 1 67 . 1 1 29 29 ILE N N 15 120.016 0.1 . 1 . . . . 118 ILE N . 11585 1 68 . 1 1 30 30 ALA H H 1 8.352 0.01 . 1 . . . . 119 ALA H . 11585 1 69 . 1 1 30 30 ALA CA C 13 55.077 0.25 . 1 . . . . 119 ALA CA . 11585 1 70 . 1 1 30 30 ALA N N 15 119.072 0.1 . 1 . . . . 119 ALA N . 11585 1 71 . 1 1 31 31 LYS H H 1 7.224 0.01 . 1 . . . . 120 LYS H . 11585 1 72 . 1 1 31 31 LYS CA C 13 58.362 0.25 . 1 . . . . 120 LYS CA . 11585 1 73 . 1 1 31 31 LYS N N 15 116.024 0.1 . 1 . . . . 120 LYS N . 11585 1 74 . 1 1 32 32 HIS H H 1 7.578 0.01 . 1 . . . . 121 HIS H . 11585 1 75 . 1 1 32 32 HIS CA C 13 57.182 0.25 . 1 . . . . 121 HIS CA . 11585 1 76 . 1 1 32 32 HIS N N 15 115.531 0.1 . 1 . . . . 121 HIS N . 11585 1 77 . 1 1 33 33 LEU H H 1 7.711 0.01 . 1 . . . . 122 LEU H . 11585 1 78 . 1 1 33 33 LEU CA C 13 53.879 0.25 . 1 . . . . 122 LEU CA . 11585 1 79 . 1 1 33 33 LEU N N 15 125.443 0.1 . 1 . . . . 122 LEU N . 11585 1 80 . 1 1 34 34 LYS H H 1 7.681 0.01 . 1 . . . . 123 LYS H . 11585 1 81 . 1 1 34 34 LYS CA C 13 58.001 0.25 . 1 . . . . 123 LYS CA . 11585 1 82 . 1 1 34 34 LYS N N 15 118.414 0.1 . 1 . . . . 123 LYS N . 11585 1 83 . 1 1 35 35 GLY H H 1 8.683 0.01 . 1 . . . . 124 GLY H . 11585 1 84 . 1 1 35 35 GLY CA C 13 45.498 0.25 . 1 . . . . 124 GLY CA . 11585 1 85 . 1 1 35 35 GLY N N 15 110.713 0.1 . 1 . . . . 124 GLY N . 11585 1 86 . 1 1 36 36 ARG H H 1 7.64 0.01 . 1 . . . . 125 ARG H . 11585 1 87 . 1 1 36 36 ARG CA C 13 52.454 0.25 . 1 . . . . 125 ARG CA . 11585 1 88 . 1 1 36 36 ARG N N 15 117.084 0.1 . 1 . . . . 125 ARG N . 11585 1 89 . 1 1 37 37 ILE H H 1 8.376 0.01 . 1 . . . . 126 ILE H . 11585 1 90 . 1 1 37 37 ILE CA C 13 60.08 0.25 . 1 . . . . 126 ILE CA . 11585 1 91 . 1 1 37 37 ILE N N 15 116.411 0.1 . 1 . . . . 126 ILE N . 11585 1 92 . 1 1 38 38 GLY H H 1 9.204 0.01 . 1 . . . . 127 GLY H . 11585 1 93 . 1 1 38 38 GLY N N 15 112.275 0.1 . 1 . . . . 127 GLY N . 11585 1 94 . 1 1 40 40 GLN H H 1 7.133 0.01 . 1 . . . . 129 GLN H . 11585 1 95 . 1 1 40 40 GLN CA C 13 58.167 0.25 . 1 . . . . 129 GLN CA . 11585 1 96 . 1 1 40 40 GLN N N 15 115.964 0.1 . 1 . . . . 129 GLN N . 11585 1 97 . 1 1 41 41 ILE H H 1 8.04 0.01 . 1 . . . . 130 ILE H . 11585 1 98 . 1 1 41 41 ILE N N 15 122.229 0.1 . 1 . . . . 130 ILE N . 11585 1 99 . 1 1 42 42 ARG H H 1 7.879 0.01 . 1 . . . . 131 ARG H . 11585 1 100 . 1 1 42 42 ARG CA C 13 58.934 0.25 . 1 . . . . 131 ARG CA . 11585 1 101 . 1 1 42 42 ARG N N 15 119.58 0.1 . 1 . . . . 131 ARG N . 11585 1 102 . 1 1 43 43 GLU H H 1 7.416 0.01 . 1 . . . . 132 GLU H . 11585 1 103 . 1 1 43 43 GLU CA C 13 59.309 0.25 . 1 . . . . 132 GLU CA . 11585 1 104 . 1 1 43 43 GLU N N 15 116.658 0.1 . 1 . . . . 132 GLU N . 11585 1 105 . 1 1 44 44 ARG H H 1 7.764 0.01 . 1 . . . . 133 ARG H . 11585 1 106 . 1 1 44 44 ARG CA C 13 57.907 0.25 . 1 . . . . 133 ARG CA . 11585 1 107 . 1 1 44 44 ARG N N 15 120.834 0.1 . 1 . . . . 133 ARG N . 11585 1 108 . 1 1 52 52 GLU H H 1 7.73 0.01 . 1 . . . . 141 GLU H . 11585 1 109 . 1 1 52 52 GLU CA C 13 57.078 0.25 . 1 . . . . 141 GLU CA . 11585 1 110 . 1 1 52 52 GLU N N 15 117.843 0.1 . 1 . . . . 141 GLU N . 11585 1 111 . 1 1 53 53 VAL H H 1 7.667 0.01 . 1 . . . . 142 VAL H . 11585 1 112 . 1 1 53 53 VAL N N 15 119.811 0.1 . 1 . . . . 142 VAL N . 11585 1 113 . 1 1 54 54 LYS H H 1 8.13 0.01 . 1 . . . . 143 LYS H . 11585 1 114 . 1 1 54 54 LYS CA C 13 56.359 0.25 . 1 . . . . 143 LYS CA . 11585 1 115 . 1 1 54 54 LYS N N 15 124.448 0.1 . 1 . . . . 143 LYS N . 11585 1 116 . 1 1 55 55 LYS H H 1 8.266 0.01 . 1 . . . . 144 LYS H . 11585 1 117 . 1 1 55 55 LYS CA C 13 56.37 0.25 . 1 . . . . 144 LYS CA . 11585 1 118 . 1 1 55 55 LYS N N 15 122.512 0.1 . 1 . . . . 144 LYS N . 11585 1 119 . 1 1 58 58 TRP H H 1 8.368 0.01 . 1 . . . . 147 TRP H . 11585 1 120 . 1 1 58 58 TRP CA C 13 56.6 0.25 . 1 . . . . 147 TRP CA . 11585 1 121 . 1 1 58 58 TRP N N 15 125.169 0.1 . 1 . . . . 147 TRP N . 11585 1 122 . 1 1 59 59 THR H H 1 9.42 0.01 . 1 . . . . 148 THR H . 11585 1 123 . 1 1 59 59 THR CA C 13 60.525 0.25 . 1 . . . . 148 THR CA . 11585 1 124 . 1 1 59 59 THR N N 15 117.337 0.1 . 1 . . . . 148 THR N . 11585 1 125 . 1 1 60 60 GLU H H 1 8.972 0.01 . 1 . . . . 149 GLU H . 11585 1 126 . 1 1 60 60 GLU CA C 13 59.743 0.25 . 1 . . . . 149 GLU CA . 11585 1 127 . 1 1 60 60 GLU N N 15 120.623 0.1 . 1 . . . . 149 GLU N . 11585 1 128 . 1 1 61 61 GLU H H 1 8.394 0.01 . 1 . . . . 150 GLU H . 11585 1 129 . 1 1 61 61 GLU CA C 13 59.651 0.25 . 1 . . . . 150 GLU CA . 11585 1 130 . 1 1 61 61 GLU N N 15 119.396 0.1 . 1 . . . . 150 GLU N . 11585 1 131 . 1 1 62 62 GLU H H 1 8.005 0.01 . 1 . . . . 151 GLU H . 11585 1 132 . 1 1 62 62 GLU CA C 13 60.454 0.25 . 1 . . . . 151 GLU CA . 11585 1 133 . 1 1 62 62 GLU N N 15 119.859 0.1 . 1 . . . . 151 GLU N . 11585 1 134 . 1 1 63 63 ASP H H 1 8.352 0.01 . 1 . . . . 152 ASP H . 11585 1 135 . 1 1 63 63 ASP CA C 13 57.876 0.25 . 1 . . . . 152 ASP CA . 11585 1 136 . 1 1 63 63 ASP N N 15 119.284 0.1 . 1 . . . . 152 ASP N . 11585 1 137 . 1 1 64 64 ARG H H 1 8.201 0.01 . 1 . . . . 153 ARG H . 11585 1 138 . 1 1 64 64 ARG CA C 13 60.224 0.25 . 1 . . . . 153 ARG CA . 11585 1 139 . 1 1 64 64 ARG N N 15 120.848 0.1 . 1 . . . . 153 ARG N . 11585 1 140 . 1 1 65 65 ILE H H 1 8.224 0.01 . 1 . . . . 154 ILE H . 11585 1 141 . 1 1 65 65 ILE CA C 13 65.566 0.25 . 1 . . . . 154 ILE CA . 11585 1 142 . 1 1 65 65 ILE N N 15 121.05 0.1 . 1 . . . . 154 ILE N . 11585 1 143 . 1 1 66 66 ILE H H 1 8.677 0.01 . 1 . . . . 155 ILE H . 11585 1 144 . 1 1 66 66 ILE CA C 13 66.733 0.25 . 1 . . . . 155 ILE CA . 11585 1 145 . 1 1 66 66 ILE N N 15 120.213 0.1 . 1 . . . . 155 ILE N . 11585 1 146 . 1 1 67 67 TYR H H 1 8.814 0.01 . 1 . . . . 156 TYR H . 11585 1 147 . 1 1 67 67 TYR CA C 13 62.606 0.25 . 1 . . . . 156 TYR CA . 11585 1 148 . 1 1 67 67 TYR N N 15 119.372 0.1 . 1 . . . . 156 TYR N . 11585 1 149 . 1 1 68 68 GLN H H 1 8.412 0.01 . 1 . . . . 157 GLN H . 11585 1 150 . 1 1 68 68 GLN CA C 13 58.702 0.25 . 1 . . . . 157 GLN CA . 11585 1 151 . 1 1 68 68 GLN N N 15 116.998 0.1 . 1 . . . . 157 GLN N . 11585 1 152 . 1 1 69 69 ALA H H 1 8.682 0.01 . 1 . . . . 158 ALA H . 11585 1 153 . 1 1 69 69 ALA CA C 13 54.88 0.25 . 1 . . . . 158 ALA CA . 11585 1 154 . 1 1 69 69 ALA N N 15 122.373 0.1 . 1 . . . . 158 ALA N . 11585 1 155 . 1 1 70 70 HIS H H 1 9.235 0.01 . 1 . . . . 159 HIS H . 11585 1 156 . 1 1 70 70 HIS CA C 13 60.58 0.25 . 1 . . . . 159 HIS CA . 11585 1 157 . 1 1 70 70 HIS N N 15 120.005 0.1 . 1 . . . . 159 HIS N . 11585 1 158 . 1 1 71 71 LYS H H 1 7.604 0.01 . 1 . . . . 160 LYS H . 11585 1 159 . 1 1 71 71 LYS CA C 13 59.22 0.25 . 1 . . . . 160 LYS CA . 11585 1 160 . 1 1 71 71 LYS N N 15 119.046 0.1 . 1 . . . . 160 LYS N . 11585 1 161 . 1 1 72 72 ARG H H 1 7.014 0.01 . 1 . . . . 161 ARG H . 11585 1 162 . 1 1 72 72 ARG CA C 13 57.983 0.25 . 1 . . . . 161 ARG CA . 11585 1 163 . 1 1 72 72 ARG N N 15 115.279 0.1 . 1 . . . . 161 ARG N . 11585 1 164 . 1 1 73 73 LEU H H 1 8.667 0.01 . 1 . . . . 162 LEU H . 11585 1 165 . 1 1 73 73 LEU CA C 13 55.118 0.25 . 1 . . . . 162 LEU CA . 11585 1 166 . 1 1 73 73 LEU N N 15 117.426 0.1 . 1 . . . . 162 LEU N . 11585 1 167 . 1 1 74 74 GLY H H 1 8.126 0.01 . 1 . . . . 163 GLY H . 11585 1 168 . 1 1 74 74 GLY CA C 13 44.36 0.25 . 1 . . . . 163 GLY CA . 11585 1 169 . 1 1 74 74 GLY N N 15 110.486 0.1 . 1 . . . . 163 GLY N . 11585 1 170 . 1 1 75 75 ASN H H 1 7.825 0.01 . 1 . . . . 164 ASN H . 11585 1 171 . 1 1 75 75 ASN N N 15 120.082 0.1 . 1 . . . . 164 ASN N . 11585 1 172 . 1 1 76 76 ARG H H 1 7.247 0.01 . 1 . . . . 165 ARG H . 11585 1 173 . 1 1 76 76 ARG CA C 13 53.749 0.25 . 1 . . . . 165 ARG CA . 11585 1 174 . 1 1 76 76 ARG N N 15 123.735 0.1 . 1 . . . . 165 ARG N . 11585 1 175 . 1 1 77 77 TRP H H 1 6.986 0.01 . 1 . . . . 166 TRP H . 11585 1 176 . 1 1 77 77 TRP CA C 13 59.836 0.25 . 1 . . . . 166 TRP CA . 11585 1 177 . 1 1 77 77 TRP N N 15 122.089 0.1 . 1 . . . . 166 TRP N . 11585 1 178 . 1 1 78 78 ALA H H 1 8.818 0.01 . 1 . . . . 167 ALA H . 11585 1 179 . 1 1 78 78 ALA N N 15 119.372 0.1 . 1 . . . . 167 ALA N . 11585 1 180 . 1 1 79 79 GLU H H 1 7.457 0.01 . 1 . . . . 168 GLU H . 11585 1 181 . 1 1 79 79 GLU CA C 13 58.445 0.25 . 1 . . . . 168 GLU CA . 11585 1 182 . 1 1 79 79 GLU N N 15 117.2 0.1 . 1 . . . . 168 GLU N . 11585 1 183 . 1 1 80 80 ILE H H 1 7.889 0.01 . 1 . . . . 169 ILE H . 11585 1 184 . 1 1 80 80 ILE N N 15 121.242 0.1 . 1 . . . . 169 ILE N . 11585 1 185 . 1 1 81 81 ALA H H 1 8.329 0.01 . 1 . . . . 170 ALA H . 11585 1 186 . 1 1 81 81 ALA N N 15 120.125 0.1 . 1 . . . . 170 ALA N . 11585 1 187 . 1 1 82 82 LYS H H 1 6.987 0.01 . 1 . . . . 171 LYS H . 11585 1 188 . 1 1 82 82 LYS CA C 13 58.861 0.25 . 1 . . . . 171 LYS CA . 11585 1 189 . 1 1 82 82 LYS N N 15 115.223 0.1 . 1 . . . . 171 LYS N . 11585 1 190 . 1 1 83 83 LEU H H 1 7.784 0.01 . 1 . . . . 172 LEU H . 11585 1 191 . 1 1 83 83 LEU CA C 13 54.761 0.25 . 1 . . . . 172 LEU CA . 11585 1 192 . 1 1 83 83 LEU N N 15 116.238 0.1 . 1 . . . . 172 LEU N . 11585 1 193 . 1 1 84 84 LEU H H 1 7.349 0.01 . 1 . . . . 173 LEU H . 11585 1 194 . 1 1 84 84 LEU N N 15 120.359 0.1 . 1 . . . . 173 LEU N . 11585 1 195 . 1 1 86 86 GLY H H 1 8.772 0.01 . 1 . . . . 175 GLY H . 11585 1 196 . 1 1 86 86 GLY CA C 13 45.252 0.25 . 1 . . . . 175 GLY CA . 11585 1 197 . 1 1 86 86 GLY N N 15 111.578 0.1 . 1 . . . . 175 GLY N . 11585 1 198 . 1 1 87 87 ARG H H 1 8.043 0.01 . 1 . . . . 176 ARG H . 11585 1 199 . 1 1 87 87 ARG CA C 13 52.331 0.25 . 1 . . . . 176 ARG CA . 11585 1 200 . 1 1 87 87 ARG N N 15 118.364 0.1 . 1 . . . . 176 ARG N . 11585 1 201 . 1 1 88 88 THR H H 1 7.935 0.01 . 1 . . . . 177 THR H . 11585 1 202 . 1 1 88 88 THR CA C 13 59.975 0.25 . 1 . . . . 177 THR CA . 11585 1 203 . 1 1 88 88 THR N N 15 111.04 0.1 . 1 . . . . 177 THR N . 11585 1 204 . 1 1 89 89 ASP H H 1 8.995 0.01 . 1 . . . . 178 ASP H . 11585 1 205 . 1 1 89 89 ASP CA C 13 57.554 0.25 . 1 . . . . 178 ASP CA . 11585 1 206 . 1 1 89 89 ASP N N 15 120.453 0.1 . 1 . . . . 178 ASP N . 11585 1 207 . 1 1 90 90 ASN H H 1 8.818 0.01 . 1 . . . . 179 ASN H . 11585 1 208 . 1 1 90 90 ASN CA C 13 56.192 0.25 . 1 . . . . 179 ASN CA . 11585 1 209 . 1 1 90 90 ASN N N 15 118.886 0.1 . 1 . . . . 179 ASN N . 11585 1 210 . 1 1 91 91 ALA H H 1 8.067 0.01 . 1 . . . . 180 ALA H . 11585 1 211 . 1 1 91 91 ALA CA C 13 55.275 0.25 . 1 . . . . 180 ALA CA . 11585 1 212 . 1 1 91 91 ALA N N 15 122.897 0.1 . 1 . . . . 180 ALA N . 11585 1 213 . 1 1 92 92 ILE H H 1 8.339 0.01 . 1 . . . . 181 ILE H . 11585 1 214 . 1 1 92 92 ILE N N 15 119.975 0.1 . 1 . . . . 181 ILE N . 11585 1 215 . 1 1 94 94 ASN H H 1 8.014 0.01 . 1 . . . . 183 ASN H . 11585 1 216 . 1 1 94 94 ASN CA C 13 55.911 0.25 . 1 . . . . 183 ASN CA . 11585 1 217 . 1 1 94 94 ASN N N 15 115.523 0.1 . 1 . . . . 183 ASN N . 11585 1 218 . 1 1 95 95 HIS H H 1 8.036 0.01 . 1 . . . . 184 HIS H . 11585 1 219 . 1 1 95 95 HIS N N 15 122.094 0.1 . 1 . . . . 184 HIS N . 11585 1 220 . 1 1 96 96 TRP H H 1 8.927 0.01 . 1 . . . . 185 TRP H . 11585 1 221 . 1 1 96 96 TRP CA C 13 60.696 0.25 . 1 . . . . 185 TRP CA . 11585 1 222 . 1 1 96 96 TRP N N 15 122.523 0.1 . 1 . . . . 185 TRP N . 11585 1 223 . 1 1 97 97 ASN H H 1 8.175 0.01 . 1 . . . . 186 ASN H . 11585 1 224 . 1 1 97 97 ASN N N 15 114.549 0.1 . 1 . . . . 186 ASN N . 11585 1 225 . 1 1 98 98 SER H H 1 7.899 0.01 . 1 . . . . 187 SER H . 11585 1 226 . 1 1 98 98 SER CA C 13 60.288 0.25 . 1 . . . . 187 SER CA . 11585 1 227 . 1 1 98 98 SER N N 15 112.522 0.1 . 1 . . . . 187 SER N . 11585 1 228 . 1 1 100 100 MET H H 1 7.587 0.01 . 1 . . . . 189 MET H . 11585 1 229 . 1 1 100 100 MET CA C 13 56.985 0.25 . 1 . . . . 189 MET CA . 11585 1 230 . 1 1 100 100 MET N N 15 120.564 0.1 . 1 . . . . 189 MET N . 11585 1 231 . 1 1 101 101 ARG H H 1 7.559 0.01 . 1 . . . . 190 ARG H . 11585 1 232 . 1 1 101 101 ARG N N 15 120.275 0.1 . 1 . . . . 190 ARG N . 11585 1 233 . 1 1 103 103 LYS H H 1 8.101 0.01 . 1 . . . . 192 LYS H . 11585 1 234 . 1 1 103 103 LYS CA C 13 56.348 0.25 . 1 . . . . 192 LYS CA . 11585 1 235 . 1 1 103 103 LYS N N 15 123.101 0.1 . 1 . . . . 192 LYS N . 11585 1 236 . 1 1 104 104 VAL H H 1 7.648 0.01 . 1 . . . . 193 VAL H . 11585 1 237 . 1 1 104 104 VAL CA C 13 63.675 0.25 . 1 . . . . 193 VAL CA . 11585 1 238 . 1 1 104 104 VAL N N 15 125.7 0.1 . 1 . . . . 193 VAL N . 11585 1 stop_ save_