data_11584 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11584 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for c-Myb R2R3 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 . . . 11584 2 Takahisa Ikegami . . . 11584 3 Masayuki Oda . . . 11584 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11584 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 195 11584 '15N chemical shifts' 90 11584 '1H chemical shifts' 90 11584 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 . 11584 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 11585 'Backbone 1H, 13C, and 15N Chemical Shift Assignments for c-Myb R2R3 V103L/C130I' 11584 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11584 _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 . . . 11584 1 2 Akihiro Maeno . . . 11584 1 3 Kazumasa Sakurai . . . 11584 1 4 Sunilkumar Puthenpurackal . Narayanan . 11584 1 5 Takahisa Ikegami . . . 11584 1 6 Kazuyuki Akasaka . . . 11584 1 7 Masayuki Oda . . . 11584 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11584 _Assembly.ID 1 _Assembly.Name 'c-Myb R2R3 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 'R2R3 C130I' 1 $c-Myb_R2R3_C130I A . yes native no no . . . 11584 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_c-Myb_R2R3_C130I _Entity.Sf_category entity _Entity.Sf_framecode c-Myb_R2R3_C130I _Entity.Entry_ID 11584 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name c-Myb_R2R3_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 ; LIKGPWTKEEDQRVIKLVQK 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 . 11584 1 2 91 ILE . 11584 1 3 92 LYS . 11584 1 4 93 GLY . 11584 1 5 94 PRO . 11584 1 6 95 TRP . 11584 1 7 96 THR . 11584 1 8 97 LYS . 11584 1 9 98 GLU . 11584 1 10 99 GLU . 11584 1 11 100 ASP . 11584 1 12 101 GLN . 11584 1 13 102 ARG . 11584 1 14 103 VAL . 11584 1 15 104 ILE . 11584 1 16 105 LYS . 11584 1 17 106 LEU . 11584 1 18 107 VAL . 11584 1 19 108 GLN . 11584 1 20 109 LYS . 11584 1 21 110 TYR . 11584 1 22 111 GLY . 11584 1 23 112 PRO . 11584 1 24 113 LYS . 11584 1 25 114 ARG . 11584 1 26 115 TRP . 11584 1 27 116 SER . 11584 1 28 117 VAL . 11584 1 29 118 ILE . 11584 1 30 119 ALA . 11584 1 31 120 LYS . 11584 1 32 121 HIS . 11584 1 33 122 LEU . 11584 1 34 123 LYS . 11584 1 35 124 GLY . 11584 1 36 125 ARG . 11584 1 37 126 ILE . 11584 1 38 127 GLY . 11584 1 39 128 LYS . 11584 1 40 129 GLN . 11584 1 41 130 ILE . 11584 1 42 131 ARG . 11584 1 43 132 GLU . 11584 1 44 133 ARG . 11584 1 45 134 TRP . 11584 1 46 135 HIS . 11584 1 47 136 ASN . 11584 1 48 137 HIS . 11584 1 49 138 LEU . 11584 1 50 139 ASN . 11584 1 51 140 PRO . 11584 1 52 141 GLU . 11584 1 53 142 VAL . 11584 1 54 143 LYS . 11584 1 55 144 LYS . 11584 1 56 145 THR . 11584 1 57 146 SER . 11584 1 58 147 TRP . 11584 1 59 148 THR . 11584 1 60 149 GLU . 11584 1 61 150 GLU . 11584 1 62 151 GLU . 11584 1 63 152 ASP . 11584 1 64 153 ARG . 11584 1 65 154 ILE . 11584 1 66 155 ILE . 11584 1 67 156 TYR . 11584 1 68 157 GLN . 11584 1 69 158 ALA . 11584 1 70 159 HIS . 11584 1 71 160 LYS . 11584 1 72 161 ARG . 11584 1 73 162 LEU . 11584 1 74 163 GLY . 11584 1 75 164 ASN . 11584 1 76 165 ARG . 11584 1 77 166 TRP . 11584 1 78 167 ALA . 11584 1 79 168 GLU . 11584 1 80 169 ILE . 11584 1 81 170 ALA . 11584 1 82 171 LYS . 11584 1 83 172 LEU . 11584 1 84 173 LEU . 11584 1 85 174 PRO . 11584 1 86 175 GLY . 11584 1 87 176 ARG . 11584 1 88 177 THR . 11584 1 89 178 ASP . 11584 1 90 179 ASN . 11584 1 91 180 ALA . 11584 1 92 181 ILE . 11584 1 93 182 LYS . 11584 1 94 183 ASN . 11584 1 95 184 HIS . 11584 1 96 185 TRP . 11584 1 97 186 ASN . 11584 1 98 187 SER . 11584 1 99 188 THR . 11584 1 100 189 MET . 11584 1 101 190 ARG . 11584 1 102 191 ARG . 11584 1 103 192 LYS . 11584 1 104 193 VAL . 11584 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 11584 1 . ILE 2 2 11584 1 . LYS 3 3 11584 1 . GLY 4 4 11584 1 . PRO 5 5 11584 1 . TRP 6 6 11584 1 . THR 7 7 11584 1 . LYS 8 8 11584 1 . GLU 9 9 11584 1 . GLU 10 10 11584 1 . ASP 11 11 11584 1 . GLN 12 12 11584 1 . ARG 13 13 11584 1 . VAL 14 14 11584 1 . ILE 15 15 11584 1 . LYS 16 16 11584 1 . LEU 17 17 11584 1 . VAL 18 18 11584 1 . GLN 19 19 11584 1 . LYS 20 20 11584 1 . TYR 21 21 11584 1 . GLY 22 22 11584 1 . PRO 23 23 11584 1 . LYS 24 24 11584 1 . ARG 25 25 11584 1 . TRP 26 26 11584 1 . SER 27 27 11584 1 . VAL 28 28 11584 1 . ILE 29 29 11584 1 . ALA 30 30 11584 1 . LYS 31 31 11584 1 . HIS 32 32 11584 1 . LEU 33 33 11584 1 . LYS 34 34 11584 1 . GLY 35 35 11584 1 . ARG 36 36 11584 1 . ILE 37 37 11584 1 . GLY 38 38 11584 1 . LYS 39 39 11584 1 . GLN 40 40 11584 1 . ILE 41 41 11584 1 . ARG 42 42 11584 1 . GLU 43 43 11584 1 . ARG 44 44 11584 1 . TRP 45 45 11584 1 . HIS 46 46 11584 1 . ASN 47 47 11584 1 . HIS 48 48 11584 1 . LEU 49 49 11584 1 . ASN 50 50 11584 1 . PRO 51 51 11584 1 . GLU 52 52 11584 1 . VAL 53 53 11584 1 . LYS 54 54 11584 1 . LYS 55 55 11584 1 . THR 56 56 11584 1 . SER 57 57 11584 1 . TRP 58 58 11584 1 . THR 59 59 11584 1 . GLU 60 60 11584 1 . GLU 61 61 11584 1 . GLU 62 62 11584 1 . ASP 63 63 11584 1 . ARG 64 64 11584 1 . ILE 65 65 11584 1 . ILE 66 66 11584 1 . TYR 67 67 11584 1 . GLN 68 68 11584 1 . ALA 69 69 11584 1 . HIS 70 70 11584 1 . LYS 71 71 11584 1 . ARG 72 72 11584 1 . LEU 73 73 11584 1 . GLY 74 74 11584 1 . ASN 75 75 11584 1 . ARG 76 76 11584 1 . TRP 77 77 11584 1 . ALA 78 78 11584 1 . GLU 79 79 11584 1 . ILE 80 80 11584 1 . ALA 81 81 11584 1 . LYS 82 82 11584 1 . LEU 83 83 11584 1 . LEU 84 84 11584 1 . PRO 85 85 11584 1 . GLY 86 86 11584 1 . ARG 87 87 11584 1 . THR 88 88 11584 1 . ASP 89 89 11584 1 . ASN 90 90 11584 1 . ALA 91 91 11584 1 . ILE 92 92 11584 1 . LYS 93 93 11584 1 . ASN 94 94 11584 1 . HIS 95 95 11584 1 . TRP 96 96 11584 1 . ASN 97 97 11584 1 . SER 98 98 11584 1 . THR 99 99 11584 1 . MET 100 100 11584 1 . ARG 101 101 11584 1 . ARG 102 102 11584 1 . LYS 103 103 11584 1 . VAL 104 104 11584 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 11584 _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_C130I . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 11584 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 11584 _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_C130I . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . pAR . . . 11584 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11584 _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 C130I' '[U-100% 13C; U-100% 15N]' . . 1 $c-Myb_R2R3_C130I . protein 0.5 . . mM . . . . 11584 1 2 TRIS 'natural abundance' . . . . . buffer 25 . . mM . . . . 11584 1 3 'sodium chloride' 'natural abundance' . . . . . salt 20 . . mM . . . . 11584 1 4 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 11584 1 5 D2O U-2H . . . . . solvent 10 . . % . . . . 11584 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 11584 _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' 55 . mM 11584 1 pH 7.5 . pH 11584 1 pressure 1 . atm 11584 1 temperature 293 . K 11584 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 11584 _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 . . 11584 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11584 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 11584 _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 11584 _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 . . . 11584 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 11584 _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 . . . . . . . . . . . . . . . . 11584 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11584 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11584 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11584 1 5 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11584 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 11584 _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 . . . . . . . . . 11584 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 11584 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 11584 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 11584 _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 11584 1 2 '3D CBCA(CO)NH' 1 $sample_1 isotropic 11584 1 3 '3D HNCACB' 1 $sample_1 isotropic 11584 1 4 '3D HNCO' 1 $sample_1 isotropic 11584 1 5 '3D HCACO' 1 $sample_1 isotropic 11584 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 8.344 0.01 . 1 . . . . 90 LEU H . 11584 1 2 . 1 1 1 1 LEU C C 13 177.038 0.25 . 1 . . . . 90 LEU C . 11584 1 3 . 1 1 1 1 LEU CA C 13 54.88 0.25 . 1 . . . . 90 LEU CA . 11584 1 4 . 1 1 1 1 LEU N N 15 124.292 0.1 . 1 . . . . 90 LEU N . 11584 1 5 . 1 1 2 2 ILE H H 1 8.534 0.01 . 1 . . . . 91 ILE H . 11584 1 6 . 1 1 2 2 ILE C C 13 176.325 0.25 . 1 . . . . 91 ILE C . 11584 1 7 . 1 1 2 2 ILE CA C 13 61.14 0.25 . 1 . . . . 91 ILE CA . 11584 1 8 . 1 1 2 2 ILE N N 15 123.842 0.1 . 1 . . . . 91 ILE N . 11584 1 9 . 1 1 3 3 LYS H H 1 8.562 0.01 . 1 . . . . 92 LYS H . 11584 1 10 . 1 1 3 3 LYS C C 13 176.574 0.25 . 1 . . . . 92 LYS C . 11584 1 11 . 1 1 3 3 LYS CA C 13 56.011 0.25 . 1 . . . . 92 LYS CA . 11584 1 12 . 1 1 3 3 LYS N N 15 126.14 0.1 . 1 . . . . 92 LYS N . 11584 1 13 . 1 1 4 4 GLY H H 1 7.949 0.01 . 1 . . . . 93 GLY H . 11584 1 14 . 1 1 4 4 GLY C C 13 171.569 0.25 . 1 . . . . 93 GLY C . 11584 1 15 . 1 1 4 4 GLY CA C 13 44.531 0.25 . 1 . . . . 93 GLY CA . 11584 1 16 . 1 1 4 4 GLY N N 15 109.112 0.1 . 1 . . . . 93 GLY N . 11584 1 17 . 1 1 5 5 PRO C C 13 176.883 0.25 . 1 . . . . 94 PRO C . 11584 1 18 . 1 1 5 5 PRO CA C 13 62.841 0.25 . 1 . . . . 94 PRO CA . 11584 1 19 . 1 1 6 6 TRP H H 1 8.441 0.01 . 1 . . . . 95 TRP H . 11584 1 20 . 1 1 6 6 TRP C C 13 178.087 0.25 . 1 . . . . 95 TRP C . 11584 1 21 . 1 1 6 6 TRP CA C 13 58.106 0.25 . 1 . . . . 95 TRP CA . 11584 1 22 . 1 1 6 6 TRP N N 15 123.02 0.1 . 1 . . . . 95 TRP N . 11584 1 23 . 1 1 7 7 THR H H 1 8.503 0.01 . 1 . . . . 96 THR H . 11584 1 24 . 1 1 7 7 THR C C 13 175.104 0.25 . 1 . . . . 96 THR C . 11584 1 25 . 1 1 7 7 THR CA C 13 59.935 0.25 . 1 . . . . 96 THR CA . 11584 1 26 . 1 1 7 7 THR N N 15 116.028 0.1 . 1 . . . . 96 THR N . 11584 1 27 . 1 1 8 8 LYS H H 1 8.87 0.01 . 1 . . . . 97 LYS H . 11584 1 28 . 1 1 8 8 LYS C C 13 179.212 0.25 . 1 . . . . 97 LYS C . 11584 1 29 . 1 1 8 8 LYS CA C 13 59.615 0.25 . 1 . . . . 97 LYS CA . 11584 1 30 . 1 1 8 8 LYS N N 15 121.656 0.1 . 1 . . . . 97 LYS N . 11584 1 31 . 1 1 9 9 GLU H H 1 8.666 0.01 . 1 . . . . 98 GLU H . 11584 1 32 . 1 1 9 9 GLU C C 13 179.561 0.25 . 1 . . . . 98 GLU C . 11584 1 33 . 1 1 9 9 GLU CA C 13 60.132 0.25 . 1 . . . . 98 GLU CA . 11584 1 34 . 1 1 9 9 GLU N N 15 118.511 0.1 . 1 . . . . 98 GLU N . 11584 1 35 . 1 1 10 10 GLU H H 1 7.885 0.01 . 1 . . . . 99 GLU H . 11584 1 36 . 1 1 10 10 GLU C C 13 178.491 0.25 . 1 . . . . 99 GLU C . 11584 1 37 . 1 1 10 10 GLU CA C 13 60.351 0.25 . 1 . . . . 99 GLU CA . 11584 1 38 . 1 1 10 10 GLU N N 15 121.726 0.1 . 1 . . . . 99 GLU N . 11584 1 39 . 1 1 11 11 ASP H H 1 8.547 0.01 . 1 . . . . 100 ASP H . 11584 1 40 . 1 1 11 11 ASP C C 13 178.888 0.25 . 1 . . . . 100 ASP C . 11584 1 41 . 1 1 11 11 ASP CA C 13 57.79 0.25 . 1 . . . . 100 ASP CA . 11584 1 42 . 1 1 11 11 ASP N N 15 120.559 0.1 . 1 . . . . 100 ASP N . 11584 1 43 . 1 1 12 12 GLN H H 1 8.197 0.01 . 1 . . . . 101 GLN H . 11584 1 44 . 1 1 12 12 GLN C C 13 179.038 0.25 . 1 . . . . 101 GLN C . 11584 1 45 . 1 1 12 12 GLN CA C 13 58.779 0.25 . 1 . . . . 101 GLN CA . 11584 1 46 . 1 1 12 12 GLN N N 15 116.231 0.1 . 1 . . . . 101 GLN N . 11584 1 47 . 1 1 13 13 ARG H H 1 7.963 0.01 . 1 . . . . 102 ARG H . 11584 1 48 . 1 1 13 13 ARG C C 13 178.795 0.25 . 1 . . . . 102 ARG C . 11584 1 49 . 1 1 13 13 ARG CA C 13 59.788 0.25 . 1 . . . . 102 ARG CA . 11584 1 50 . 1 1 13 13 ARG N N 15 120.508 0.1 . 1 . . . . 102 ARG N . 11584 1 51 . 1 1 14 14 VAL H H 1 8.694 0.01 . 1 . . . . 103 VAL H . 11584 1 52 . 1 1 14 14 VAL C C 13 177.353 0.25 . 1 . . . . 103 VAL C . 11584 1 53 . 1 1 14 14 VAL CA C 13 68.459 0.25 . 1 . . . . 103 VAL CA . 11584 1 54 . 1 1 14 14 VAL N N 15 119.766 0.1 . 1 . . . . 103 VAL N . 11584 1 55 . 1 1 15 15 ILE H H 1 8.239 0.01 . 1 . . . . 104 ILE H . 11584 1 56 . 1 1 15 15 ILE CA C 13 66.606 0.25 . 1 . . . . 104 ILE CA . 11584 1 57 . 1 1 15 15 ILE N N 15 118.707 0.1 . 1 . . . . 104 ILE N . 11584 1 58 . 1 1 16 16 LYS C C 13 179.921 0.25 . 1 . . . . 105 LYS C . 11584 1 59 . 1 1 16 16 LYS CA C 13 59.084 0.25 . 1 . . . . 105 LYS CA . 11584 1 60 . 1 1 17 17 LEU H H 1 8.601 0.01 . 1 . . . . 106 LEU H . 11584 1 61 . 1 1 17 17 LEU C C 13 178.966 0.25 . 1 . . . . 106 LEU C . 11584 1 62 . 1 1 17 17 LEU CA C 13 58.03 0.25 . 1 . . . . 106 LEU CA . 11584 1 63 . 1 1 17 17 LEU N N 15 121.581 0.1 . 1 . . . . 106 LEU N . 11584 1 64 . 1 1 18 18 VAL H H 1 8.913 0.01 . 1 . . . . 107 VAL H . 11584 1 65 . 1 1 18 18 VAL C C 13 179.692 0.25 . 1 . . . . 107 VAL C . 11584 1 66 . 1 1 18 18 VAL CA C 13 65.854 0.25 . 1 . . . . 107 VAL CA . 11584 1 67 . 1 1 18 18 VAL N N 15 122.368 0.1 . 1 . . . . 107 VAL N . 11584 1 68 . 1 1 19 19 GLN H H 1 7.825 0.01 . 1 . . . . 108 GLN H . 11584 1 69 . 1 1 19 19 GLN C C 13 177.201 0.25 . 1 . . . . 108 GLN C . 11584 1 70 . 1 1 19 19 GLN CA C 13 59.207 0.25 . 1 . . . . 108 GLN CA . 11584 1 71 . 1 1 19 19 GLN N N 15 120.445 0.1 . 1 . . . . 108 GLN N . 11584 1 72 . 1 1 20 20 LYS H H 1 7.251 0.01 . 1 . . . . 109 LYS H . 11584 1 73 . 1 1 20 20 LYS C C 13 177.77 0.25 . 1 . . . . 109 LYS C . 11584 1 74 . 1 1 20 20 LYS CA C 13 58.883 0.25 . 1 . . . . 109 LYS CA . 11584 1 75 . 1 1 20 20 LYS N N 15 117.739 0.1 . 1 . . . . 109 LYS N . 11584 1 76 . 1 1 21 21 TYR H H 1 8.563 0.01 . 1 . . . . 110 TYR H . 11584 1 77 . 1 1 21 21 TYR C C 13 177.039 0.25 . 1 . . . . 110 TYR C . 11584 1 78 . 1 1 21 21 TYR CA C 13 59.657 0.25 . 1 . . . . 110 TYR CA . 11584 1 79 . 1 1 21 21 TYR N N 15 115.087 0.1 . 1 . . . . 110 TYR N . 11584 1 80 . 1 1 22 22 GLY H H 1 8.142 0.01 . 1 . . . . 111 GLY H . 11584 1 81 . 1 1 22 22 GLY C C 13 171.023 0.25 . 1 . . . . 111 GLY C . 11584 1 82 . 1 1 22 22 GLY CA C 13 44.282 0.25 . 1 . . . . 111 GLY CA . 11584 1 83 . 1 1 22 22 GLY N N 15 110.728 0.1 . 1 . . . . 111 GLY N . 11584 1 84 . 1 1 23 23 PRO C C 13 174.584 0.25 . 1 . . . . 112 PRO C . 11584 1 85 . 1 1 23 23 PRO CA C 13 62.428 0.25 . 1 . . . . 112 PRO CA . 11584 1 86 . 1 1 24 24 LYS H H 1 7.774 0.01 . 1 . . . . 113 LYS H . 11584 1 87 . 1 1 24 24 LYS C C 13 175.939 0.25 . 1 . . . . 113 LYS C . 11584 1 88 . 1 1 24 24 LYS CA C 13 55.647 0.25 . 1 . . . . 113 LYS CA . 11584 1 89 . 1 1 24 24 LYS N N 15 118.275 0.1 . 1 . . . . 113 LYS N . 11584 1 90 . 1 1 25 25 ARG C C 13 177.155 0.25 . 1 . . . . 114 ARG C . 11584 1 91 . 1 1 25 25 ARG CA C 13 54.7 0.25 . 1 . . . . 114 ARG CA . 11584 1 92 . 1 1 26 26 TRP H H 1 7.045 0.01 . 1 . . . . 115 TRP H . 11584 1 93 . 1 1 26 26 TRP C C 13 177.97 0.25 . 1 . . . . 115 TRP C . 11584 1 94 . 1 1 26 26 TRP CA C 13 59.598 0.25 . 1 . . . . 115 TRP CA . 11584 1 95 . 1 1 26 26 TRP N N 15 120.674 0.1 . 1 . . . . 115 TRP N . 11584 1 96 . 1 1 27 27 SER C C 13 176.552 0.25 . 1 . . . . 116 SER C . 11584 1 97 . 1 1 27 27 SER CA C 13 61.404 0.25 . 1 . . . . 116 SER CA . 11584 1 98 . 1 1 28 28 VAL H H 1 7.281 0.01 . 1 . . . . 117 VAL H . 11584 1 99 . 1 1 28 28 VAL C C 13 178.185 0.25 . 1 . . . . 117 VAL C . 11584 1 100 . 1 1 28 28 VAL CA C 13 65.65 0.25 . 1 . . . . 117 VAL CA . 11584 1 101 . 1 1 28 28 VAL N N 15 124.093 0.1 . 1 . . . . 117 VAL N . 11584 1 102 . 1 1 29 29 ILE H H 1 7.449 0.01 . 1 . . . . 118 ILE H . 11584 1 103 . 1 1 29 29 ILE C C 13 177.984 0.25 . 1 . . . . 118 ILE C . 11584 1 104 . 1 1 29 29 ILE CA C 13 66.169 0.25 . 1 . . . . 118 ILE CA . 11584 1 105 . 1 1 29 29 ILE N N 15 119.654 0.1 . 1 . . . . 118 ILE N . 11584 1 106 . 1 1 30 30 ALA H H 1 8.295 0.01 . 1 . . . . 119 ALA H . 11584 1 107 . 1 1 30 30 ALA C C 13 178.987 0.25 . 1 . . . . 119 ALA C . 11584 1 108 . 1 1 30 30 ALA CA C 13 55.14 0.25 . 1 . . . . 119 ALA CA . 11584 1 109 . 1 1 30 30 ALA N N 15 118.771 0.1 . 1 . . . . 119 ALA N . 11584 1 110 . 1 1 31 31 LYS H H 1 7.257 0.01 . 1 . . . . 120 LYS H . 11584 1 111 . 1 1 31 31 LYS C C 13 177.7 0.25 . 1 . . . . 120 LYS C . 11584 1 112 . 1 1 31 31 LYS CA C 13 58.424 0.25 . 1 . . . . 120 LYS CA . 11584 1 113 . 1 1 31 31 LYS N N 15 116.331 0.1 . 1 . . . . 120 LYS N . 11584 1 114 . 1 1 32 32 HIS H H 1 7.652 0.01 . 1 . . . . 121 HIS H . 11584 1 115 . 1 1 32 32 HIS C C 13 175.024 0.25 . 1 . . . . 121 HIS C . 11584 1 116 . 1 1 32 32 HIS CA C 13 57.216 0.25 . 1 . . . . 121 HIS CA . 11584 1 117 . 1 1 32 32 HIS N N 15 115.549 0.1 . 1 . . . . 121 HIS N . 11584 1 118 . 1 1 33 33 LEU H H 1 7.792 0.01 . 1 . . . . 122 LEU H . 11584 1 119 . 1 1 33 33 LEU C C 13 174.529 0.25 . 1 . . . . 122 LEU C . 11584 1 120 . 1 1 33 33 LEU CA C 13 54.119 0.25 . 1 . . . . 122 LEU CA . 11584 1 121 . 1 1 33 33 LEU N N 15 124.827 0.1 . 1 . . . . 122 LEU N . 11584 1 122 . 1 1 34 34 LYS H H 1 7.938 0.01 . 1 . . . . 123 LYS H . 11584 1 123 . 1 1 34 34 LYS C C 13 177.729 0.25 . 1 . . . . 123 LYS C . 11584 1 124 . 1 1 34 34 LYS CA C 13 57.739 0.25 . 1 . . . . 123 LYS CA . 11584 1 125 . 1 1 34 34 LYS N N 15 118.844 0.1 . 1 . . . . 123 LYS N . 11584 1 126 . 1 1 35 35 GLY H H 1 8.698 0.01 . 1 . . . . 124 GLY H . 11584 1 127 . 1 1 35 35 GLY C C 13 173.296 0.25 . 1 . . . . 124 GLY C . 11584 1 128 . 1 1 35 35 GLY CA C 13 45.799 0.25 . 1 . . . . 124 GLY CA . 11584 1 129 . 1 1 35 35 GLY N N 15 110.878 0.1 . 1 . . . . 124 GLY N . 11584 1 130 . 1 1 36 36 ARG H H 1 7.601 0.01 . 1 . . . . 125 ARG H . 11584 1 131 . 1 1 36 36 ARG C C 13 175.759 0.25 . 1 . . . . 125 ARG C . 11584 1 132 . 1 1 36 36 ARG CA C 13 52.5 0.25 . 1 . . . . 125 ARG CA . 11584 1 133 . 1 1 36 36 ARG N N 15 116.536 0.1 . 1 . . . . 125 ARG N . 11584 1 134 . 1 1 37 37 ILE H H 1 8.324 0.01 . 1 . . . . 126 ILE H . 11584 1 135 . 1 1 37 37 ILE C C 13 178.106 0.25 . 1 . . . . 126 ILE C . 11584 1 136 . 1 1 37 37 ILE CA C 13 60.086 0.25 . 1 . . . . 126 ILE CA . 11584 1 137 . 1 1 37 37 ILE N N 15 115.362 0.1 . 1 . . . . 126 ILE N . 11584 1 138 . 1 1 38 38 GLY H H 1 9.313 0.01 . 1 . . . . 127 GLY H . 11584 1 139 . 1 1 38 38 GLY C C 13 175.524 0.25 . 1 . . . . 127 GLY C . 11584 1 140 . 1 1 38 38 GLY CA C 13 48.865 0.25 . 1 . . . . 127 GLY CA . 11584 1 141 . 1 1 38 38 GLY N N 15 112.284 0.1 . 1 . . . . 127 GLY N . 11584 1 142 . 1 1 39 39 LYS H H 1 8.683 0.01 . 1 . . . . 128 LYS H . 11584 1 143 . 1 1 39 39 LYS C C 13 178.357 0.25 . 1 . . . . 128 LYS C . 11584 1 144 . 1 1 39 39 LYS CA C 13 59.735 0.25 . 1 . . . . 128 LYS CA . 11584 1 145 . 1 1 39 39 LYS N N 15 119.401 0.1 . 1 . . . . 128 LYS N . 11584 1 146 . 1 1 40 40 GLN H H 1 7.208 0.01 . 1 . . . . 129 GLN H . 11584 1 147 . 1 1 40 40 GLN C C 13 179.313 0.25 . 1 . . . . 129 GLN C . 11584 1 148 . 1 1 40 40 GLN CA C 13 58.146 0.25 . 1 . . . . 129 GLN CA . 11584 1 149 . 1 1 40 40 GLN N N 15 115.892 0.1 . 1 . . . . 129 GLN N . 11584 1 150 . 1 1 41 41 ILE H H 1 7.916 0.01 . 1 . . . . 130 ILE H . 11584 1 151 . 1 1 41 41 ILE C C 13 176.022 0.25 . 1 . . . . 130 ILE C . 11584 1 152 . 1 1 41 41 ILE CA C 13 65.232 0.25 . 1 . . . . 130 ILE CA . 11584 1 153 . 1 1 41 41 ILE N N 15 121.856 0.1 . 1 . . . . 130 ILE N . 11584 1 154 . 1 1 42 42 ARG H H 1 7.954 0.01 . 1 . . . . 131 ARG H . 11584 1 155 . 1 1 42 42 ARG C C 13 177.863 0.25 . 1 . . . . 131 ARG C . 11584 1 156 . 1 1 42 42 ARG CA C 13 58.725 0.25 . 1 . . . . 131 ARG CA . 11584 1 157 . 1 1 42 42 ARG N N 15 120.507 0.1 . 1 . . . . 131 ARG N . 11584 1 158 . 1 1 43 43 GLU H H 1 7.38 0.01 . 1 . . . . 132 GLU H . 11584 1 159 . 1 1 43 43 GLU C C 13 177.981 0.25 . 1 . . . . 132 GLU C . 11584 1 160 . 1 1 43 43 GLU CA C 13 59.31 0.25 . 1 . . . . 132 GLU CA . 11584 1 161 . 1 1 43 43 GLU N N 15 116.453 0.1 . 1 . . . . 132 GLU N . 11584 1 162 . 1 1 44 44 ARG H H 1 7.673 0.01 . 1 . . . . 133 ARG H . 11584 1 163 . 1 1 44 44 ARG C C 13 179.274 0.25 . 1 . . . . 133 ARG C . 11584 1 164 . 1 1 44 44 ARG CA C 13 57.974 0.25 . 1 . . . . 133 ARG CA . 11584 1 165 . 1 1 44 44 ARG N N 15 120.709 0.1 . 1 . . . . 133 ARG N . 11584 1 166 . 1 1 51 51 PRO C C 13 177.566 0.25 . 1 . . . . 140 PRO C . 11584 1 167 . 1 1 51 51 PRO CA C 13 64.053 0.25 . 1 . . . . 140 PRO CA . 11584 1 168 . 1 1 52 52 GLU H H 1 7.662 0.01 . 1 . . . . 141 GLU H . 11584 1 169 . 1 1 52 52 GLU C C 13 177.097 0.25 . 1 . . . . 141 GLU C . 11584 1 170 . 1 1 52 52 GLU CA C 13 57.127 0.25 . 1 . . . . 141 GLU CA . 11584 1 171 . 1 1 52 52 GLU N N 15 117.478 0.1 . 1 . . . . 141 GLU N . 11584 1 172 . 1 1 53 53 VAL H H 1 7.623 0.01 . 1 . . . . 142 VAL H . 11584 1 173 . 1 1 53 53 VAL C C 13 176.29 0.25 . 1 . . . . 142 VAL C . 11584 1 174 . 1 1 53 53 VAL CA C 13 62.906 0.25 . 1 . . . . 142 VAL CA . 11584 1 175 . 1 1 53 53 VAL N N 15 119.588 0.1 . 1 . . . . 142 VAL N . 11584 1 176 . 1 1 54 54 LYS H H 1 8.099 0.01 . 1 . . . . 143 LYS H . 11584 1 177 . 1 1 54 54 LYS C C 13 176.702 0.25 . 1 . . . . 143 LYS C . 11584 1 178 . 1 1 54 54 LYS CA C 13 56.387 0.25 . 1 . . . . 143 LYS CA . 11584 1 179 . 1 1 54 54 LYS N N 15 124.274 0.1 . 1 . . . . 143 LYS N . 11584 1 180 . 1 1 55 55 LYS H H 1 8.244 0.01 . 1 . . . . 144 LYS H . 11584 1 181 . 1 1 55 55 LYS C C 13 176.813 0.25 . 1 . . . . 144 LYS C . 11584 1 182 . 1 1 55 55 LYS CA C 13 56.373 0.25 . 1 . . . . 144 LYS CA . 11584 1 183 . 1 1 55 55 LYS N N 15 122.344 0.1 . 1 . . . . 144 LYS N . 11584 1 184 . 1 1 56 56 THR H H 1 7.996 0.01 . 1 . . . . 145 THR H . 11584 1 185 . 1 1 56 56 THR C C 13 174.642 0.25 . 1 . . . . 145 THR C . 11584 1 186 . 1 1 56 56 THR CA C 13 61.385 0.25 . 1 . . . . 145 THR CA . 11584 1 187 . 1 1 56 56 THR N N 15 113.179 0.1 . 1 . . . . 145 THR N . 11584 1 188 . 1 1 57 57 SER H H 1 8.142 0.01 . 1 . . . . 146 SER H . 11584 1 189 . 1 1 57 57 SER C C 13 173.577 0.25 . 1 . . . . 146 SER C . 11584 1 190 . 1 1 57 57 SER CA C 13 58.411 0.25 . 1 . . . . 146 SER CA . 11584 1 191 . 1 1 57 57 SER N N 15 118.615 0.1 . 1 . . . . 146 SER N . 11584 1 192 . 1 1 58 58 TRP H H 1 8.375 0.01 . 1 . . . . 147 TRP H . 11584 1 193 . 1 1 58 58 TRP C C 13 177.635 0.25 . 1 . . . . 147 TRP C . 11584 1 194 . 1 1 58 58 TRP CA C 13 56.593 0.25 . 1 . . . . 147 TRP CA . 11584 1 195 . 1 1 58 58 TRP N N 15 125.066 0.1 . 1 . . . . 147 TRP N . 11584 1 196 . 1 1 59 59 THR H H 1 9.42 0.01 . 1 . . . . 148 THR H . 11584 1 197 . 1 1 59 59 THR C C 13 174.977 0.25 . 1 . . . . 148 THR C . 11584 1 198 . 1 1 59 59 THR CA C 13 60.572 0.25 . 1 . . . . 148 THR CA . 11584 1 199 . 1 1 59 59 THR N N 15 117.262 0.1 . 1 . . . . 148 THR N . 11584 1 200 . 1 1 60 60 GLU H H 1 8.973 0.01 . 1 . . . . 149 GLU H . 11584 1 201 . 1 1 60 60 GLU C C 13 179.3 0.25 . 1 . . . . 149 GLU C . 11584 1 202 . 1 1 60 60 GLU CA C 13 59.764 0.25 . 1 . . . . 149 GLU CA . 11584 1 203 . 1 1 60 60 GLU N N 15 120.565 0.1 . 1 . . . . 149 GLU N . 11584 1 204 . 1 1 61 61 GLU H H 1 8.397 0.01 . 1 . . . . 150 GLU H . 11584 1 205 . 1 1 61 61 GLU C C 13 178.658 0.25 . 1 . . . . 150 GLU C . 11584 1 206 . 1 1 61 61 GLU CA C 13 59.581 0.25 . 1 . . . . 150 GLU CA . 11584 1 207 . 1 1 61 61 GLU N N 15 119.351 0.1 . 1 . . . . 150 GLU N . 11584 1 208 . 1 1 62 62 GLU H H 1 8.009 0.01 . 1 . . . . 151 GLU H . 11584 1 209 . 1 1 62 62 GLU C C 13 178.571 0.25 . 1 . . . . 151 GLU C . 11584 1 210 . 1 1 62 62 GLU CA C 13 60.507 0.25 . 1 . . . . 151 GLU CA . 11584 1 211 . 1 1 62 62 GLU N N 15 119.779 0.1 . 1 . . . . 151 GLU N . 11584 1 212 . 1 1 63 63 ASP H H 1 8.343 0.01 . 1 . . . . 152 ASP H . 11584 1 213 . 1 1 63 63 ASP C C 13 178.739 0.25 . 1 . . . . 152 ASP C . 11584 1 214 . 1 1 63 63 ASP CA C 13 57.909 0.25 . 1 . . . . 152 ASP CA . 11584 1 215 . 1 1 63 63 ASP N N 15 119.184 0.1 . 1 . . . . 152 ASP N . 11584 1 216 . 1 1 64 64 ARG H H 1 8.218 0.01 . 1 . . . . 153 ARG H . 11584 1 217 . 1 1 64 64 ARG C C 13 179.192 0.25 . 1 . . . . 153 ARG C . 11584 1 218 . 1 1 64 64 ARG CA C 13 59.581 0.25 . 1 . . . . 153 ARG CA . 11584 1 219 . 1 1 64 64 ARG N N 15 120.921 0.1 . 1 . . . . 153 ARG N . 11584 1 220 . 1 1 65 65 ILE H H 1 8.225 0.01 . 1 . . . . 154 ILE H . 11584 1 221 . 1 1 65 65 ILE C C 13 179.335 0.25 . 1 . . . . 154 ILE C . 11584 1 222 . 1 1 65 65 ILE CA C 13 65.526 0.25 . 1 . . . . 154 ILE CA . 11584 1 223 . 1 1 65 65 ILE N N 15 120.96 0.1 . 1 . . . . 154 ILE N . 11584 1 224 . 1 1 66 66 ILE H H 1 8.675 0.01 . 1 . . . . 155 ILE H . 11584 1 225 . 1 1 66 66 ILE C C 13 177.165 0.25 . 1 . . . . 155 ILE C . 11584 1 226 . 1 1 66 66 ILE CA C 13 66.687 0.25 . 1 . . . . 155 ILE CA . 11584 1 227 . 1 1 66 66 ILE N N 15 120.137 0.1 . 1 . . . . 155 ILE N . 11584 1 228 . 1 1 67 67 TYR H H 1 8.822 0.01 . 1 . . . . 156 TYR H . 11584 1 229 . 1 1 67 67 TYR C C 13 178.98 0.25 . 1 . . . . 156 TYR C . 11584 1 230 . 1 1 67 67 TYR CA C 13 62.672 0.25 . 1 . . . . 156 TYR CA . 11584 1 231 . 1 1 67 67 TYR N N 15 119.345 0.1 . 1 . . . . 156 TYR N . 11584 1 232 . 1 1 68 68 GLN H H 1 8.41 0.01 . 1 . . . . 157 GLN H . 11584 1 233 . 1 1 68 68 GLN C C 13 178.871 0.25 . 1 . . . . 157 GLN C . 11584 1 234 . 1 1 68 68 GLN CA C 13 58.709 0.25 . 1 . . . . 157 GLN CA . 11584 1 235 . 1 1 68 68 GLN N N 15 116.966 0.1 . 1 . . . . 157 GLN N . 11584 1 236 . 1 1 69 69 ALA H H 1 8.686 0.01 . 1 . . . . 158 ALA H . 11584 1 237 . 1 1 69 69 ALA C C 13 179.205 0.25 . 1 . . . . 158 ALA C . 11584 1 238 . 1 1 69 69 ALA CA C 13 54.883 0.25 . 1 . . . . 158 ALA CA . 11584 1 239 . 1 1 69 69 ALA N N 15 122.298 0.1 . 1 . . . . 158 ALA N . 11584 1 240 . 1 1 70 70 HIS H H 1 9.241 0.01 . 1 . . . . 159 HIS H . 11584 1 241 . 1 1 70 70 HIS C C 13 178.778 0.25 . 1 . . . . 159 HIS C . 11584 1 242 . 1 1 70 70 HIS CA C 13 60.575 0.25 . 1 . . . . 159 HIS CA . 11584 1 243 . 1 1 70 70 HIS N N 15 119.863 0.1 . 1 . . . . 159 HIS N . 11584 1 244 . 1 1 71 71 LYS H H 1 7.603 0.01 . 1 . . . . 160 LYS H . 11584 1 245 . 1 1 71 71 LYS C C 13 177.421 0.25 . 1 . . . . 160 LYS C . 11584 1 246 . 1 1 71 71 LYS CA C 13 59.283 0.25 . 1 . . . . 160 LYS CA . 11584 1 247 . 1 1 71 71 LYS N N 15 119.024 0.1 . 1 . . . . 160 LYS N . 11584 1 248 . 1 1 72 72 ARG H H 1 7.009 0.01 . 1 . . . . 161 ARG H . 11584 1 249 . 1 1 72 72 ARG C C 13 177.62 0.25 . 1 . . . . 161 ARG C . 11584 1 250 . 1 1 72 72 ARG CA C 13 58.002 0.25 . 1 . . . . 161 ARG CA . 11584 1 251 . 1 1 72 72 ARG N N 15 115.22 0.1 . 1 . . . . 161 ARG N . 11584 1 252 . 1 1 73 73 LEU H H 1 8.664 0.01 . 1 . . . . 162 LEU H . 11584 1 253 . 1 1 73 73 LEU C C 13 177.865 0.25 . 1 . . . . 162 LEU C . 11584 1 254 . 1 1 73 73 LEU CA C 13 55.114 0.25 . 1 . . . . 162 LEU CA . 11584 1 255 . 1 1 73 73 LEU N N 15 117.337 0.1 . 1 . . . . 162 LEU N . 11584 1 256 . 1 1 74 74 GLY H H 1 8.113 0.01 . 1 . . . . 163 GLY H . 11584 1 257 . 1 1 74 74 GLY C C 13 173.489 0.25 . 1 . . . . 163 GLY C . 11584 1 258 . 1 1 74 74 GLY CA C 13 44.514 0.25 . 1 . . . . 163 GLY CA . 11584 1 259 . 1 1 74 74 GLY N N 15 110.389 0.1 . 1 . . . . 163 GLY N . 11584 1 260 . 1 1 75 75 ASN H H 1 7.829 0.01 . 1 . . . . 164 ASN H . 11584 1 261 . 1 1 75 75 ASN C C 13 175.617 0.25 . 1 . . . . 164 ASN C . 11584 1 262 . 1 1 75 75 ASN CA C 13 52.156 0.25 . 1 . . . . 164 ASN CA . 11584 1 263 . 1 1 75 75 ASN N N 15 120.055 0.1 . 1 . . . . 164 ASN N . 11584 1 264 . 1 1 76 76 ARG H H 1 7.232 0.01 . 1 . . . . 165 ARG H . 11584 1 265 . 1 1 76 76 ARG C C 13 177.372 0.25 . 1 . . . . 165 ARG C . 11584 1 266 . 1 1 76 76 ARG CA C 13 53.795 0.25 . 1 . . . . 165 ARG CA . 11584 1 267 . 1 1 76 76 ARG N N 15 123.62 0.1 . 1 . . . . 165 ARG N . 11584 1 268 . 1 1 77 77 TRP H H 1 6.99 0.01 . 1 . . . . 166 TRP H . 11584 1 269 . 1 1 77 77 TRP C C 13 177.766 0.25 . 1 . . . . 166 TRP C . 11584 1 270 . 1 1 77 77 TRP CA C 13 59.822 0.25 . 1 . . . . 166 TRP CA . 11584 1 271 . 1 1 77 77 TRP N N 15 122.034 0.1 . 1 . . . . 166 TRP N . 11584 1 272 . 1 1 78 78 ALA H H 1 8.828 0.01 . 1 . . . . 167 ALA H . 11584 1 273 . 1 1 78 78 ALA C C 13 180.232 0.25 . 1 . . . . 167 ALA C . 11584 1 274 . 1 1 78 78 ALA CA C 13 55.256 0.25 . 1 . . . . 167 ALA CA . 11584 1 275 . 1 1 78 78 ALA N N 15 119.353 0.1 . 1 . . . . 167 ALA N . 11584 1 276 . 1 1 79 79 GLU H H 1 7.456 0.01 . 1 . . . . 168 GLU H . 11584 1 277 . 1 1 79 79 GLU C C 13 179.56 0.25 . 1 . . . . 168 GLU C . 11584 1 278 . 1 1 79 79 GLU CA C 13 58.435 0.25 . 1 . . . . 168 GLU CA . 11584 1 279 . 1 1 79 79 GLU N N 15 117.127 0.1 . 1 . . . . 168 GLU N . 11584 1 280 . 1 1 80 80 ILE H H 1 7.885 0.01 . 1 . . . . 169 ILE H . 11584 1 281 . 1 1 80 80 ILE C C 13 177.574 0.25 . 1 . . . . 169 ILE C . 11584 1 282 . 1 1 80 80 ILE CA C 13 65.838 0.25 . 1 . . . . 169 ILE CA . 11584 1 283 . 1 1 80 80 ILE N N 15 121.148 0.1 . 1 . . . . 169 ILE N . 11584 1 284 . 1 1 81 81 ALA H H 1 8.329 0.01 . 1 . . . . 170 ALA H . 11584 1 285 . 1 1 81 81 ALA C C 13 179.328 0.25 . 1 . . . . 170 ALA C . 11584 1 286 . 1 1 81 81 ALA CA C 13 55.189 0.25 . 1 . . . . 170 ALA CA . 11584 1 287 . 1 1 81 81 ALA N N 15 120.059 0.1 . 1 . . . . 170 ALA N . 11584 1 288 . 1 1 82 82 LYS H H 1 6.985 0.01 . 1 . . . . 171 LYS H . 11584 1 289 . 1 1 82 82 LYS C C 13 177.933 0.25 . 1 . . . . 171 LYS C . 11584 1 290 . 1 1 82 82 LYS CA C 13 58.913 0.25 . 1 . . . . 171 LYS CA . 11584 1 291 . 1 1 82 82 LYS N N 15 115.151 0.1 . 1 . . . . 171 LYS N . 11584 1 292 . 1 1 83 83 LEU H H 1 7.781 0.01 . 1 . . . . 172 LEU H . 11584 1 293 . 1 1 83 83 LEU C C 13 176.187 0.25 . 1 . . . . 172 LEU C . 11584 1 294 . 1 1 83 83 LEU CA C 13 54.803 0.25 . 1 . . . . 172 LEU CA . 11584 1 295 . 1 1 83 83 LEU N N 15 116.167 0.1 . 1 . . . . 172 LEU N . 11584 1 296 . 1 1 84 84 LEU H H 1 7.347 0.01 . 1 . . . . 173 LEU H . 11584 1 297 . 1 1 84 84 LEU C C 13 171.617 0.25 . 1 . . . . 173 LEU C . 11584 1 298 . 1 1 84 84 LEU CA C 13 51.758 0.25 . 1 . . . . 173 LEU CA . 11584 1 299 . 1 1 84 84 LEU N N 15 120.293 0.1 . 1 . . . . 173 LEU N . 11584 1 300 . 1 1 85 85 PRO C C 13 178.432 0.25 . 1 . . . . 174 PRO C . 11584 1 301 . 1 1 85 85 PRO CA C 13 63.87 0.25 . 1 . . . . 174 PRO CA . 11584 1 302 . 1 1 86 86 GLY H H 1 8.77 0.01 . 1 . . . . 175 GLY H . 11584 1 303 . 1 1 86 86 GLY C C 13 174.116 0.25 . 1 . . . . 175 GLY C . 11584 1 304 . 1 1 86 86 GLY CA C 13 45.289 0.25 . 1 . . . . 175 GLY CA . 11584 1 305 . 1 1 86 86 GLY N N 15 111.513 0.1 . 1 . . . . 175 GLY N . 11584 1 306 . 1 1 87 87 ARG H H 1 8.04 0.01 . 1 . . . . 176 ARG H . 11584 1 307 . 1 1 87 87 ARG C C 13 175.776 0.25 . 1 . . . . 176 ARG C . 11584 1 308 . 1 1 87 87 ARG CA C 13 52.389 0.25 . 1 . . . . 176 ARG CA . 11584 1 309 . 1 1 87 87 ARG N N 15 118.283 0.1 . 1 . . . . 176 ARG N . 11584 1 310 . 1 1 88 88 THR H H 1 7.934 0.01 . 1 . . . . 177 THR H . 11584 1 311 . 1 1 88 88 THR C C 13 174.848 0.25 . 1 . . . . 177 THR C . 11584 1 312 . 1 1 88 88 THR CA C 13 60.02 0.25 . 1 . . . . 177 THR CA . 11584 1 313 . 1 1 88 88 THR N N 15 110.98 0.1 . 1 . . . . 177 THR N . 11584 1 314 . 1 1 89 89 ASP H H 1 8.996 0.01 . 1 . . . . 178 ASP H . 11584 1 315 . 1 1 89 89 ASP C C 13 178.028 0.25 . 1 . . . . 178 ASP C . 11584 1 316 . 1 1 89 89 ASP CA C 13 57.58 0.25 . 1 . . . . 178 ASP CA . 11584 1 317 . 1 1 89 89 ASP N N 15 120.386 0.1 . 1 . . . . 178 ASP N . 11584 1 318 . 1 1 90 90 ASN H H 1 8.819 0.01 . 1 . . . . 179 ASN H . 11584 1 319 . 1 1 90 90 ASN C C 13 176.781 0.25 . 1 . . . . 179 ASN C . 11584 1 320 . 1 1 90 90 ASN CA C 13 56.215 0.25 . 1 . . . . 179 ASN CA . 11584 1 321 . 1 1 90 90 ASN N N 15 118.833 0.1 . 1 . . . . 179 ASN N . 11584 1 322 . 1 1 91 91 ALA H H 1 8.069 0.01 . 1 . . . . 180 ALA H . 11584 1 323 . 1 1 91 91 ALA C C 13 181.501 0.25 . 1 . . . . 180 ALA C . 11584 1 324 . 1 1 91 91 ALA CA C 13 55.277 0.25 . 1 . . . . 180 ALA CA . 11584 1 325 . 1 1 91 91 ALA N N 15 122.831 0.1 . 1 . . . . 180 ALA N . 11584 1 326 . 1 1 92 92 ILE H H 1 8.347 0.01 . 1 . . . . 181 ILE H . 11584 1 327 . 1 1 92 92 ILE C C 13 176.271 0.25 . 1 . . . . 181 ILE C . 11584 1 328 . 1 1 92 92 ILE CA C 13 65.68 0.25 . 1 . . . . 181 ILE CA . 11584 1 329 . 1 1 92 92 ILE N N 15 119.918 0.1 . 1 . . . . 181 ILE N . 11584 1 330 . 1 1 93 93 LYS H H 1 7.895 0.01 . 1 . . . . 182 LYS H . 11584 1 331 . 1 1 93 93 LYS C C 13 178.185 0.25 . 1 . . . . 182 LYS C . 11584 1 332 . 1 1 93 93 LYS CA C 13 59.042 0.25 . 1 . . . . 182 LYS CA . 11584 1 333 . 1 1 93 93 LYS N N 15 121.083 0.1 . 1 . . . . 182 LYS N . 11584 1 334 . 1 1 94 94 ASN H H 1 8.019 0.01 . 1 . . . . 183 ASN H . 11584 1 335 . 1 1 94 94 ASN C C 13 177.899 0.25 . 1 . . . . 183 ASN C . 11584 1 336 . 1 1 94 94 ASN CA C 13 55.942 0.25 . 1 . . . . 183 ASN CA . 11584 1 337 . 1 1 94 94 ASN N N 15 115.45 0.1 . 1 . . . . 183 ASN N . 11584 1 338 . 1 1 95 95 HIS H H 1 8.039 0.01 . 1 . . . . 184 HIS H . 11584 1 339 . 1 1 95 95 HIS C C 13 177.483 0.25 . 1 . . . . 184 HIS C . 11584 1 340 . 1 1 95 95 HIS CA C 13 58.601 0.25 . 1 . . . . 184 HIS CA . 11584 1 341 . 1 1 95 95 HIS N N 15 121.877 0.1 . 1 . . . . 184 HIS N . 11584 1 342 . 1 1 96 96 TRP H H 1 8.929 0.01 . 1 . . . . 185 TRP H . 11584 1 343 . 1 1 96 96 TRP C C 13 177.724 0.25 . 1 . . . . 185 TRP C . 11584 1 344 . 1 1 96 96 TRP CA C 13 60.672 0.25 . 1 . . . . 185 TRP CA . 11584 1 345 . 1 1 96 96 TRP N N 15 122.502 0.1 . 1 . . . . 185 TRP N . 11584 1 346 . 1 1 97 97 ASN H H 1 8.178 0.01 . 1 . . . . 186 ASN H . 11584 1 347 . 1 1 97 97 ASN C C 13 176.854 0.25 . 1 . . . . 186 ASN C . 11584 1 348 . 1 1 97 97 ASN CA C 13 55.686 0.25 . 1 . . . . 186 ASN CA . 11584 1 349 . 1 1 97 97 ASN N N 15 114.549 0.1 . 1 . . . . 186 ASN N . 11584 1 350 . 1 1 98 98 SER H H 1 7.893 0.01 . 1 . . . . 187 SER H . 11584 1 351 . 1 1 98 98 SER C C 13 175.38 0.25 . 1 . . . . 187 SER C . 11584 1 352 . 1 1 98 98 SER CA C 13 60.32 0.25 . 1 . . . . 187 SER CA . 11584 1 353 . 1 1 98 98 SER N N 15 112.42 0.1 . 1 . . . . 187 SER N . 11584 1 354 . 1 1 99 99 THR C C 13 174.821 0.25 . 1 . . . . 188 THR C . 11584 1 355 . 1 1 99 99 THR CA C 13 63.247 0.25 . 1 . . . . 188 THR CA . 11584 1 356 . 1 1 100 100 MET H H 1 7.569 0.01 . 1 . . . . 189 MET H . 11584 1 357 . 1 1 100 100 MET C C 13 176.337 0.25 . 1 . . . . 189 MET C . 11584 1 358 . 1 1 100 100 MET CA C 13 57.001 0.25 . 1 . . . . 189 MET CA . 11584 1 359 . 1 1 100 100 MET N N 15 120.455 0.1 . 1 . . . . 189 MET N . 11584 1 360 . 1 1 101 101 ARG H H 1 7.554 0.01 . 1 . . . . 190 ARG H . 11584 1 361 . 1 1 101 101 ARG C C 13 175.962 0.25 . 1 . . . . 190 ARG C . 11584 1 362 . 1 1 101 101 ARG CA C 13 56.627 0.25 . 1 . . . . 190 ARG CA . 11584 1 363 . 1 1 101 101 ARG N N 15 120.193 0.1 . 1 . . . . 190 ARG N . 11584 1 364 . 1 1 102 102 ARG H H 1 7.895 0.01 . 1 . . . . 191 ARG H . 11584 1 365 . 1 1 102 102 ARG C C 13 175.852 0.25 . 1 . . . . 191 ARG C . 11584 1 366 . 1 1 102 102 ARG CA C 13 55.932 0.25 . 1 . . . . 191 ARG CA . 11584 1 367 . 1 1 102 102 ARG N N 15 120.947 0.1 . 1 . . . . 191 ARG N . 11584 1 368 . 1 1 103 103 LYS H H 1 8.103 0.01 . 1 . . . . 192 LYS H . 11584 1 369 . 1 1 103 103 LYS C C 13 175.504 0.25 . 1 . . . . 192 LYS C . 11584 1 370 . 1 1 103 103 LYS CA C 13 56.347 0.25 . 1 . . . . 192 LYS CA . 11584 1 371 . 1 1 103 103 LYS N N 15 123.063 0.1 . 1 . . . . 192 LYS N . 11584 1 372 . 1 1 104 104 VAL H H 1 7.651 0.01 . 1 . . . . 193 VAL H . 11584 1 373 . 1 1 104 104 VAL C C 13 180.944 0.25 . 1 . . . . 193 VAL C . 11584 1 374 . 1 1 104 104 VAL CA C 13 63.687 0.25 . 1 . . . . 193 VAL CA . 11584 1 375 . 1 1 104 104 VAL N N 15 125.669 0.1 . 1 . . . . 193 VAL N . 11584 1 stop_ save_