data_52354 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52354 _Entry.Title ; Backbone assignment of Hrp48 RRM2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-03-14 _Entry.Accession_date 2024-03-14 _Entry.Last_release_date 2024-03-14 _Entry.Original_release_date 2024-03-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Andrea Lomoschitz . . . . 52354 2 Julia Meyer . . . . 52354 3 Kristian Schweimer . . . . 52354 4 Janosch Hennig . . . . 52354 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52354 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 204 52354 '15N chemical shifts' 76 52354 '1H chemical shifts' 76 52354 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 . . 2024-12-26 . original BMRB . 52354 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52354 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 39504588 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The Drosophila RNA binding protein Hrp48 binds a specific RNA sequence of the msl-2 mRNA 3' UTR to regulate translation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. Chem.' _Citation.Journal_name_full 'Biophysical chemistry' _Citation.Journal_volume 316 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1873-4200 _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 107346 _Citation.Page_last 107346 _Citation.Year 2025 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Andrea Lomoschitz A. . . . 52354 1 2 Julia Meyer J. . . . 52354 1 3 Tanit Guitart T. . . . 52354 1 4 Miroslav Krepl M. . . . 52354 1 5 Karine Lapouge K. . . . 52354 1 6 Clara Hayn C. . . . 52354 1 7 Kristian Schweimer K. . . . 52354 1 8 Bernd Simon B. . . . 52354 1 9 Jiri Sponer J. . . . 52354 1 10 Fatima Gebauer F. . . . 52354 1 11 Janosch Hennig J. . . . 52354 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52354 _Assembly.ID 1 _Assembly.Name 'Hrp48 RRM2 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Hrp48 RRM2' 1 $entity_1 . . yes native no no . . . 52354 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52354 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAKPKKGGGYKVFLGGLPSN VTETDLRTFFNRYGKVTEVV IMYDQEKKKSRGFGFLSFEE ESSVEHVTNERYINLNGKQV EIKKAEP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'N-terminal GA from expression tag' _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 87 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 89 GLY . 52354 1 2 90 ALA . 52354 1 3 91 LYS . 52354 1 4 92 PRO . 52354 1 5 93 LYS . 52354 1 6 94 LYS . 52354 1 7 95 GLY . 52354 1 8 96 GLY . 52354 1 9 97 GLY . 52354 1 10 98 TYR . 52354 1 11 99 LYS . 52354 1 12 100 VAL . 52354 1 13 101 PHE . 52354 1 14 102 LEU . 52354 1 15 103 GLY . 52354 1 16 104 GLY . 52354 1 17 105 LEU . 52354 1 18 106 PRO . 52354 1 19 107 SER . 52354 1 20 108 ASN . 52354 1 21 109 VAL . 52354 1 22 110 THR . 52354 1 23 111 GLU . 52354 1 24 112 THR . 52354 1 25 113 ASP . 52354 1 26 114 LEU . 52354 1 27 115 ARG . 52354 1 28 116 THR . 52354 1 29 117 PHE . 52354 1 30 118 PHE . 52354 1 31 119 ASN . 52354 1 32 120 ARG . 52354 1 33 121 TYR . 52354 1 34 122 GLY . 52354 1 35 123 LYS . 52354 1 36 124 VAL . 52354 1 37 125 THR . 52354 1 38 126 GLU . 52354 1 39 127 VAL . 52354 1 40 128 VAL . 52354 1 41 129 ILE . 52354 1 42 130 MET . 52354 1 43 131 TYR . 52354 1 44 132 ASP . 52354 1 45 133 GLN . 52354 1 46 134 GLU . 52354 1 47 135 LYS . 52354 1 48 136 LYS . 52354 1 49 137 LYS . 52354 1 50 138 SER . 52354 1 51 139 ARG . 52354 1 52 140 GLY . 52354 1 53 141 PHE . 52354 1 54 142 GLY . 52354 1 55 143 PHE . 52354 1 56 144 LEU . 52354 1 57 145 SER . 52354 1 58 146 PHE . 52354 1 59 147 GLU . 52354 1 60 148 GLU . 52354 1 61 149 GLU . 52354 1 62 150 SER . 52354 1 63 151 SER . 52354 1 64 152 VAL . 52354 1 65 153 GLU . 52354 1 66 154 HIS . 52354 1 67 155 VAL . 52354 1 68 156 THR . 52354 1 69 157 ASN . 52354 1 70 158 GLU . 52354 1 71 159 ARG . 52354 1 72 160 TYR . 52354 1 73 161 ILE . 52354 1 74 162 ASN . 52354 1 75 163 LEU . 52354 1 76 164 ASN . 52354 1 77 165 GLY . 52354 1 78 166 LYS . 52354 1 79 167 GLN . 52354 1 80 168 VAL . 52354 1 81 169 GLU . 52354 1 82 170 ILE . 52354 1 83 171 LYS . 52354 1 84 172 LYS . 52354 1 85 173 ALA . 52354 1 86 174 GLU . 52354 1 87 175 PRO . 52354 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 52354 1 . ALA 2 2 52354 1 . LYS 3 3 52354 1 . PRO 4 4 52354 1 . LYS 5 5 52354 1 . LYS 6 6 52354 1 . GLY 7 7 52354 1 . GLY 8 8 52354 1 . GLY 9 9 52354 1 . TYR 10 10 52354 1 . LYS 11 11 52354 1 . VAL 12 12 52354 1 . PHE 13 13 52354 1 . LEU 14 14 52354 1 . GLY 15 15 52354 1 . GLY 16 16 52354 1 . LEU 17 17 52354 1 . PRO 18 18 52354 1 . SER 19 19 52354 1 . ASN 20 20 52354 1 . VAL 21 21 52354 1 . THR 22 22 52354 1 . GLU 23 23 52354 1 . THR 24 24 52354 1 . ASP 25 25 52354 1 . LEU 26 26 52354 1 . ARG 27 27 52354 1 . THR 28 28 52354 1 . PHE 29 29 52354 1 . PHE 30 30 52354 1 . ASN 31 31 52354 1 . ARG 32 32 52354 1 . TYR 33 33 52354 1 . GLY 34 34 52354 1 . LYS 35 35 52354 1 . VAL 36 36 52354 1 . THR 37 37 52354 1 . GLU 38 38 52354 1 . VAL 39 39 52354 1 . VAL 40 40 52354 1 . ILE 41 41 52354 1 . MET 42 42 52354 1 . TYR 43 43 52354 1 . ASP 44 44 52354 1 . GLN 45 45 52354 1 . GLU 46 46 52354 1 . LYS 47 47 52354 1 . LYS 48 48 52354 1 . LYS 49 49 52354 1 . SER 50 50 52354 1 . ARG 51 51 52354 1 . GLY 52 52 52354 1 . PHE 53 53 52354 1 . GLY 54 54 52354 1 . PHE 55 55 52354 1 . LEU 56 56 52354 1 . SER 57 57 52354 1 . PHE 58 58 52354 1 . GLU 59 59 52354 1 . GLU 60 60 52354 1 . GLU 61 61 52354 1 . SER 62 62 52354 1 . SER 63 63 52354 1 . VAL 64 64 52354 1 . GLU 65 65 52354 1 . HIS 66 66 52354 1 . VAL 67 67 52354 1 . THR 68 68 52354 1 . ASN 69 69 52354 1 . GLU 70 70 52354 1 . ARG 71 71 52354 1 . TYR 72 72 52354 1 . ILE 73 73 52354 1 . ASN 74 74 52354 1 . LEU 75 75 52354 1 . ASN 76 76 52354 1 . GLY 77 77 52354 1 . LYS 78 78 52354 1 . GLN 79 79 52354 1 . VAL 80 80 52354 1 . GLU 81 81 52354 1 . ILE 82 82 52354 1 . LYS 83 83 52354 1 . LYS 84 84 52354 1 . ALA 85 85 52354 1 . GLU 86 86 52354 1 . PRO 87 87 52354 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52354 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . 52354 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52354 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pETM11 . . . 52354 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52354 _Sample.ID 1 _Sample.Name '13C 15N Hrp48 RRM2' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 'Hrp48 RRM2' '[U-95% 13C; U-95% 15N]' . . 1 $entity_1 . . 220 100 340 uM . . . . 52354 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 52354 1 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 52354 1 4 D2O [U-2H] . . . . . . 5 . . % . . . . 52354 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 52354 _Sample_condition_list.ID 1 _Sample_condition_list.Name Condition_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' 0.4 . M 52354 1 pH 6.5 . pH 52354 1 pressure 1 . atm 52354 1 temperature 298 . K 52354 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52354 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52354 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52354 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Avance III 700' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52354 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52354 1 2 '3D CBCACONH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52354 1 3 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52354 1 4 '3D HNCACB' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52354 1 5 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52354 1 6 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52354 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52354 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Reference_1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 52354 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.000000000 . . . . . 52354 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52354 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52354 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name '13C_15N_Hrp48 RRM2' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 52354 1 2 '3D CBCACONH' . . . 52354 1 3 '3D HNCA' . . . 52354 1 4 '3D HNCACB' . . . 52354 1 5 '3D HN(CA)CO' . . . 52354 1 6 '3D HNCO' . . . 52354 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52354 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 5 5 LYS H H 1 8.468 0.020 . 1 . . . . . 93 LYS H . 52354 1 2 . 1 . 1 5 5 LYS C C 13 176.522 0.3 . 1 . . . . . 93 LYS C . 52354 1 3 . 1 . 1 5 5 LYS CA C 13 56.258 0.3 . 1 . . . . . 93 LYS CA . 52354 1 4 . 1 . 1 5 5 LYS CB C 13 33.098 0.3 . 1 . . . . . 93 LYS CB . 52354 1 5 . 1 . 1 5 5 LYS N N 15 122.390 0.3 . 1 . . . . . 93 LYS N . 52354 1 6 . 1 . 1 6 6 LYS H H 1 8.454 0.020 . 1 . . . . . 94 LYS H . 52354 1 7 . 1 . 1 6 6 LYS C C 13 176.910 0.3 . 1 . . . . . 94 LYS C . 52354 1 8 . 1 . 1 6 6 LYS CA C 13 56.295 0.3 . 1 . . . . . 94 LYS CA . 52354 1 9 . 1 . 1 6 6 LYS CB C 13 33.133 0.3 . 1 . . . . . 94 LYS CB . 52354 1 10 . 1 . 1 6 6 LYS N N 15 123.452 0.3 . 1 . . . . . 94 LYS N . 52354 1 11 . 1 . 1 7 7 GLY H H 1 8.533 0.020 . 1 . . . . . 95 GLY H . 52354 1 12 . 1 . 1 7 7 GLY C C 13 174.401 0.3 . 1 . . . . . 95 GLY C . 52354 1 13 . 1 . 1 7 7 GLY CA C 13 45.175 0.3 . 1 . . . . . 95 GLY CA . 52354 1 14 . 1 . 1 7 7 GLY N N 15 111.211 0.3 . 1 . . . . . 95 GLY N . 52354 1 15 . 1 . 1 8 8 GLY H H 1 8.292 0.020 . 1 . . . . . 96 GLY H . 52354 1 16 . 1 . 1 8 8 GLY C C 13 174.147 0.3 . 1 . . . . . 96 GLY C . 52354 1 17 . 1 . 1 8 8 GLY CA C 13 45.208 0.3 . 1 . . . . . 96 GLY CA . 52354 1 18 . 1 . 1 8 8 GLY N N 15 108.794 0.3 . 1 . . . . . 96 GLY N . 52354 1 19 . 1 . 1 9 9 GLY H H 1 8.046 0.020 . 1 . . . . . 97 GLY H . 52354 1 20 . 1 . 1 9 9 GLY C C 13 172.952 0.3 . 1 . . . . . 97 GLY C . 52354 1 21 . 1 . 1 9 9 GLY CA C 13 44.795 0.3 . 1 . . . . . 97 GLY CA . 52354 1 22 . 1 . 1 9 9 GLY N N 15 108.505 0.3 . 1 . . . . . 97 GLY N . 52354 1 23 . 1 . 1 10 10 TYR H H 1 8.582 0.020 . 1 . . . . . 98 TYR H . 52354 1 24 . 1 . 1 10 10 TYR C C 13 174.714 0.3 . 1 . . . . . 98 TYR C . 52354 1 25 . 1 . 1 10 10 TYR CA C 13 57.864 0.3 . 1 . . . . . 98 TYR CA . 52354 1 26 . 1 . 1 10 10 TYR CB C 13 39.104 0.3 . 1 . . . . . 98 TYR CB . 52354 1 27 . 1 . 1 10 10 TYR N N 15 120.717 0.3 . 1 . . . . . 98 TYR N . 52354 1 28 . 1 . 1 11 11 LYS H H 1 8.235 0.020 . 1 . . . . . 99 LYS H . 52354 1 29 . 1 . 1 11 11 LYS C C 13 176.492 0.3 . 1 . . . . . 99 LYS C . 52354 1 30 . 1 . 1 11 11 LYS CA C 13 56.356 0.3 . 1 . . . . . 99 LYS CA . 52354 1 31 . 1 . 1 11 11 LYS CB C 13 36.271 0.3 . 1 . . . . . 99 LYS CB . 52354 1 32 . 1 . 1 11 11 LYS N N 15 124.010 0.3 . 1 . . . . . 99 LYS N . 52354 1 33 . 1 . 1 12 12 VAL H H 1 9.349 0.020 . 1 . . . . . 100 VAL H . 52354 1 34 . 1 . 1 12 12 VAL C C 13 173.654 0.3 . 1 . . . . . 100 VAL C . 52354 1 35 . 1 . 1 12 12 VAL CA C 13 59.872 0.3 . 1 . . . . . 100 VAL CA . 52354 1 36 . 1 . 1 12 12 VAL CB C 13 34.779 0.3 . 1 . . . . . 100 VAL CB . 52354 1 37 . 1 . 1 12 12 VAL N N 15 118.328 0.3 . 1 . . . . . 100 VAL N . 52354 1 38 . 1 . 1 13 13 PHE H H 1 9.232 0.020 . 1 . . . . . 101 PHE H . 52354 1 39 . 1 . 1 13 13 PHE CA C 13 56.820 0.3 . 1 . . . . . 101 PHE CA . 52354 1 40 . 1 . 1 13 13 PHE CB C 13 41.180 0.3 . 1 . . . . . 101 PHE CB . 52354 1 41 . 1 . 1 13 13 PHE N N 15 124.185 0.3 . 1 . . . . . 101 PHE N . 52354 1 42 . 1 . 1 14 14 LEU H H 1 8.044 0.020 . 1 . . . . . 102 LEU H . 52354 1 43 . 1 . 1 14 14 LEU C C 13 174.729 0.3 . 1 . . . . . 102 LEU C . 52354 1 44 . 1 . 1 14 14 LEU CA C 13 51.599 0.3 . 1 . . . . . 102 LEU CA . 52354 1 45 . 1 . 1 14 14 LEU CB C 13 44.437 0.3 . 1 . . . . . 102 LEU CB . 52354 1 46 . 1 . 1 14 14 LEU N N 15 124.781 0.3 . 1 . . . . . 102 LEU N . 52354 1 47 . 1 . 1 15 15 GLY H H 1 9.050 0.020 . 1 . . . . . 103 GLY H . 52354 1 48 . 1 . 1 15 15 GLY C C 13 173.415 0.3 . 1 . . . . . 103 GLY C . 52354 1 49 . 1 . 1 15 15 GLY CA C 13 44.252 0.3 . 1 . . . . . 103 GLY CA . 52354 1 50 . 1 . 1 15 15 GLY N N 15 108.178 0.3 . 1 . . . . . 103 GLY N . 52354 1 51 . 1 . 1 16 16 GLY H H 1 8.205 0.020 . 1 . . . . . 104 GLY H . 52354 1 52 . 1 . 1 16 16 GLY C C 13 175.730 0.3 . 1 . . . . . 104 GLY C . 52354 1 53 . 1 . 1 16 16 GLY CA C 13 46.234 0.3 . 1 . . . . . 104 GLY CA . 52354 1 54 . 1 . 1 16 16 GLY N N 15 111.129 0.3 . 1 . . . . . 104 GLY N . 52354 1 55 . 1 . 1 17 17 LEU H H 1 8.049 0.020 . 1 . . . . . 105 LEU H . 52354 1 56 . 1 . 1 17 17 LEU C C 13 175.222 0.3 . 1 . . . . . 105 LEU C . 52354 1 57 . 1 . 1 17 17 LEU CA C 13 52.805 0.3 . 1 . . . . . 105 LEU CA . 52354 1 58 . 1 . 1 17 17 LEU CB C 13 41.977 0.3 . 1 . . . . . 105 LEU CB . 52354 1 59 . 1 . 1 17 17 LEU N N 15 117.625 0.3 . 1 . . . . . 105 LEU N . 52354 1 60 . 1 . 1 19 19 SER H H 1 8.913 0.020 . 1 . . . . . 107 SER H . 52354 1 61 . 1 . 1 19 19 SER CA C 13 60.796 0.3 . 1 . . . . . 107 SER CA . 52354 1 62 . 1 . 1 19 19 SER CB C 13 63.138 0.3 . 1 . . . . . 107 SER CB . 52354 1 63 . 1 . 1 19 19 SER N N 15 117.471 0.3 . 1 . . . . . 107 SER N . 52354 1 64 . 1 . 1 20 20 ASN H H 1 8.152 0.020 . 1 . . . . . 108 ASN H . 52354 1 65 . 1 . 1 20 20 ASN C C 13 175.148 0.3 . 1 . . . . . 108 ASN C . 52354 1 66 . 1 . 1 20 20 ASN CA C 13 52.604 0.3 . 1 . . . . . 108 ASN CA . 52354 1 67 . 1 . 1 20 20 ASN CB C 13 37.528 0.3 . 1 . . . . . 108 ASN CB . 52354 1 68 . 1 . 1 20 20 ASN N N 15 115.988 0.3 . 1 . . . . . 108 ASN N . 52354 1 69 . 1 . 1 21 21 VAL H H 1 7.044 0.020 . 1 . . . . . 109 VAL H . 52354 1 70 . 1 . 1 21 21 VAL C C 13 174.729 0.3 . 1 . . . . . 109 VAL C . 52354 1 71 . 1 . 1 21 21 VAL CA C 13 61.827 0.3 . 1 . . . . . 109 VAL CA . 52354 1 72 . 1 . 1 21 21 VAL CB C 13 32.650 0.3 . 1 . . . . . 109 VAL CB . 52354 1 73 . 1 . 1 21 21 VAL N N 15 118.483 0.3 . 1 . . . . . 109 VAL N . 52354 1 74 . 1 . 1 22 22 THR H H 1 8.757 0.020 . 1 . . . . . 110 THR H . 52354 1 75 . 1 . 1 22 22 THR C C 13 175.626 0.3 . 1 . . . . . 110 THR C . 52354 1 76 . 1 . 1 22 22 THR CA C 13 59.631 0.3 . 1 . . . . . 110 THR CA . 52354 1 77 . 1 . 1 22 22 THR CB C 13 72.767 0.3 . 1 . . . . . 110 THR CB . 52354 1 78 . 1 . 1 22 22 THR N N 15 116.421 0.3 . 1 . . . . . 110 THR N . 52354 1 79 . 1 . 1 23 23 GLU H H 1 9.668 0.020 . 1 . . . . . 111 GLU H . 52354 1 80 . 1 . 1 23 23 GLU CA C 13 61.059 0.3 . 1 . . . . . 111 GLU CA . 52354 1 81 . 1 . 1 23 23 GLU CB C 13 28.481 0.3 . 1 . . . . . 111 GLU CB . 52354 1 82 . 1 . 1 23 23 GLU N N 15 121.114 0.3 . 1 . . . . . 111 GLU N . 52354 1 83 . 1 . 1 24 24 THR H H 1 8.154 0.020 . 1 . . . . . 112 THR H . 52354 1 84 . 1 . 1 24 24 THR CA C 13 66.618 0.3 . 1 . . . . . 112 THR CA . 52354 1 85 . 1 . 1 24 24 THR CB C 13 68.411 0.3 . 1 . . . . . 112 THR CB . 52354 1 86 . 1 . 1 24 24 THR N N 15 114.727 0.3 . 1 . . . . . 112 THR N . 52354 1 87 . 1 . 1 25 25 ASP H H 1 7.792 0.020 . 1 . . . . . 113 ASP H . 52354 1 88 . 1 . 1 25 25 ASP CA C 13 57.744 0.3 . 1 . . . . . 113 ASP CA . 52354 1 89 . 1 . 1 25 25 ASP CB C 13 41.023 0.3 . 1 . . . . . 113 ASP CB . 52354 1 90 . 1 . 1 25 25 ASP N N 15 123.294 0.3 . 1 . . . . . 113 ASP N . 52354 1 91 . 1 . 1 26 26 LEU H H 1 7.785 0.020 . 1 . . . . . 114 LEU H . 52354 1 92 . 1 . 1 26 26 LEU CA C 13 57.716 0.3 . 1 . . . . . 114 LEU CA . 52354 1 93 . 1 . 1 26 26 LEU CB C 13 42.141 0.3 . 1 . . . . . 114 LEU CB . 52354 1 94 . 1 . 1 26 26 LEU N N 15 117.982 0.3 . 1 . . . . . 114 LEU N . 52354 1 95 . 1 . 1 27 27 ARG H H 1 8.665 0.020 . 1 . . . . . 115 ARG H . 52354 1 96 . 1 . 1 27 27 ARG CA C 13 61.117 0.3 . 1 . . . . . 115 ARG CA . 52354 1 97 . 1 . 1 27 27 ARG CB C 13 30.228 0.3 . 1 . . . . . 115 ARG CB . 52354 1 98 . 1 . 1 27 27 ARG N N 15 120.553 0.3 . 1 . . . . . 115 ARG N . 52354 1 99 . 1 . 1 28 28 THR H H 1 8.377 0.020 . 1 . . . . . 116 THR H . 52354 1 100 . 1 . 1 28 28 THR C C 13 176.089 0.3 . 1 . . . . . 116 THR C . 52354 1 101 . 1 . 1 28 28 THR CA C 13 66.181 0.3 . 1 . . . . . 116 THR CA . 52354 1 102 . 1 . 1 28 28 THR CB C 13 68.860 0.3 . 1 . . . . . 116 THR CB . 52354 1 103 . 1 . 1 28 28 THR N N 15 112.955 0.3 . 1 . . . . . 116 THR N . 52354 1 104 . 1 . 1 29 29 PHE H H 1 7.972 0.020 . 1 . . . . . 117 PHE H . 52354 1 105 . 1 . 1 29 29 PHE C C 13 177.896 0.3 . 1 . . . . . 117 PHE C . 52354 1 106 . 1 . 1 29 29 PHE CA C 13 62.161 0.3 . 1 . . . . . 117 PHE CA . 52354 1 107 . 1 . 1 29 29 PHE CB C 13 39.777 0.3 . 1 . . . . . 117 PHE CB . 52354 1 108 . 1 . 1 29 29 PHE N N 15 120.300 0.3 . 1 . . . . . 117 PHE N . 52354 1 109 . 1 . 1 30 30 PHE H H 1 8.875 0.020 . 1 . . . . . 118 PHE H . 52354 1 110 . 1 . 1 30 30 PHE C C 13 176.850 0.3 . 1 . . . . . 118 PHE C . 52354 1 111 . 1 . 1 30 30 PHE CA C 13 62.884 0.3 . 1 . . . . . 118 PHE CA . 52354 1 112 . 1 . 1 30 30 PHE CB C 13 38.576 0.3 . 1 . . . . . 118 PHE CB . 52354 1 113 . 1 . 1 30 30 PHE N N 15 113.551 0.3 . 1 . . . . . 118 PHE N . 52354 1 114 . 1 . 1 31 31 ASN H H 1 8.233 0.020 . 1 . . . . . 119 ASN H . 52354 1 115 . 1 . 1 31 31 ASN C C 13 177.119 0.3 . 1 . . . . . 119 ASN C . 52354 1 116 . 1 . 1 31 31 ASN CA C 13 54.788 0.3 . 1 . . . . . 119 ASN CA . 52354 1 117 . 1 . 1 31 31 ASN N N 15 120.755 0.3 . 1 . . . . . 119 ASN N . 52354 1 118 . 1 . 1 32 32 ARG H H 1 7.246 0.020 . 1 . . . . . 120 ARG H . 52354 1 119 . 1 . 1 32 32 ARG C C 13 177.029 0.3 . 1 . . . . . 120 ARG C . 52354 1 120 . 1 . 1 32 32 ARG CA C 13 57.864 0.3 . 1 . . . . . 120 ARG CA . 52354 1 121 . 1 . 1 32 32 ARG CB C 13 29.027 0.3 . 1 . . . . . 120 ARG CB . 52354 1 122 . 1 . 1 32 32 ARG N N 15 116.378 0.3 . 1 . . . . . 120 ARG N . 52354 1 123 . 1 . 1 33 33 TYR H H 1 8.125 0.020 . 1 . . . . . 121 TYR H . 52354 1 124 . 1 . 1 33 33 TYR C C 13 175.596 0.3 . 1 . . . . . 121 TYR C . 52354 1 125 . 1 . 1 33 33 TYR CA C 13 58.667 0.3 . 1 . . . . . 121 TYR CA . 52354 1 126 . 1 . 1 33 33 TYR CB C 13 39.604 0.3 . 1 . . . . . 121 TYR CB . 52354 1 127 . 1 . 1 33 33 TYR N N 15 116.653 0.3 . 1 . . . . . 121 TYR N . 52354 1 128 . 1 . 1 34 34 GLY H H 1 7.745 0.020 . 1 . . . . . 122 GLY H . 52354 1 129 . 1 . 1 34 34 GLY C C 13 170.115 0.3 . 1 . . . . . 122 GLY C . 52354 1 130 . 1 . 1 34 34 GLY CA C 13 44.903 0.3 . 1 . . . . . 122 GLY CA . 52354 1 131 . 1 . 1 34 34 GLY N N 15 109.160 0.3 . 1 . . . . . 122 GLY N . 52354 1 132 . 1 . 1 35 35 LYS H H 1 8.560 0.020 . 1 . . . . . 123 LYS H . 52354 1 133 . 1 . 1 35 35 LYS C C 13 175.976 0.3 . 1 . . . . . 123 LYS C . 52354 1 134 . 1 . 1 35 35 LYS CA C 13 56.499 0.3 . 1 . . . . . 123 LYS CA . 52354 1 135 . 1 . 1 35 35 LYS CB C 13 32.765 0.3 . 1 . . . . . 123 LYS CB . 52354 1 136 . 1 . 1 35 35 LYS N N 15 119.725 0.3 . 1 . . . . . 123 LYS N . 52354 1 137 . 1 . 1 36 36 VAL H H 1 8.629 0.020 . 1 . . . . . 124 VAL H . 52354 1 138 . 1 . 1 36 36 VAL C C 13 177.463 0.3 . 1 . . . . . 124 VAL C . 52354 1 139 . 1 . 1 36 36 VAL CA C 13 62.239 0.3 . 1 . . . . . 124 VAL CA . 52354 1 140 . 1 . 1 36 36 VAL CB C 13 32.633 0.3 . 1 . . . . . 124 VAL CB . 52354 1 141 . 1 . 1 36 36 VAL N N 15 129.066 0.3 . 1 . . . . . 124 VAL N . 52354 1 142 . 1 . 1 37 37 THR H H 1 9.039 0.020 . 1 . . . . . 125 THR H . 52354 1 143 . 1 . 1 37 37 THR C C 13 175.013 0.3 . 1 . . . . . 125 THR C . 52354 1 144 . 1 . 1 37 37 THR CA C 13 61.920 0.3 . 1 . . . . . 125 THR CA . 52354 1 145 . 1 . 1 37 37 THR CB C 13 68.322 0.3 . 1 . . . . . 125 THR CB . 52354 1 146 . 1 . 1 37 37 THR N N 15 120.543 0.3 . 1 . . . . . 125 THR N . 52354 1 147 . 1 . 1 38 38 GLU H H 1 7.443 0.020 . 1 . . . . . 126 GLU H . 52354 1 148 . 1 . 1 38 38 GLU C C 13 173.848 0.3 . 1 . . . . . 126 GLU C . 52354 1 149 . 1 . 1 38 38 GLU CA C 13 56.338 0.3 . 1 . . . . . 126 GLU CA . 52354 1 150 . 1 . 1 38 38 GLU CB C 13 32.981 0.3 . 1 . . . . . 126 GLU CB . 52354 1 151 . 1 . 1 38 38 GLU N N 15 121.636 0.3 . 1 . . . . . 126 GLU N . 52354 1 152 . 1 . 1 39 39 VAL H H 1 8.398 0.020 . 1 . . . . . 127 VAL H . 52354 1 153 . 1 . 1 39 39 VAL C C 13 173.460 0.3 . 1 . . . . . 127 VAL C . 52354 1 154 . 1 . 1 39 39 VAL CA C 13 61.832 0.3 . 1 . . . . . 127 VAL CA . 52354 1 155 . 1 . 1 39 39 VAL CB C 13 34.771 0.3 . 1 . . . . . 127 VAL CB . 52354 1 156 . 1 . 1 39 39 VAL N N 15 122.903 0.3 . 1 . . . . . 127 VAL N . 52354 1 157 . 1 . 1 40 40 VAL H H 1 8.877 0.020 . 1 . . . . . 128 VAL H . 52354 1 158 . 1 . 1 40 40 VAL C C 13 174.102 0.3 . 1 . . . . . 128 VAL C . 52354 1 159 . 1 . 1 40 40 VAL CA C 13 61.277 0.3 . 1 . . . . . 128 VAL CA . 52354 1 160 . 1 . 1 40 40 VAL CB C 13 35.082 0.3 . 1 . . . . . 128 VAL CB . 52354 1 161 . 1 . 1 40 40 VAL N N 15 126.890 0.3 . 1 . . . . . 128 VAL N . 52354 1 162 . 1 . 1 41 41 ILE H H 1 8.703 0.020 . 1 . . . . . 129 ILE H . 52354 1 163 . 1 . 1 41 41 ILE C C 13 175.163 0.3 . 1 . . . . . 129 ILE C . 52354 1 164 . 1 . 1 41 41 ILE CA C 13 60.996 0.3 . 1 . . . . . 129 ILE CA . 52354 1 165 . 1 . 1 41 41 ILE CB C 13 39.425 0.3 . 1 . . . . . 129 ILE CB . 52354 1 166 . 1 . 1 41 41 ILE N N 15 127.015 0.3 . 1 . . . . . 129 ILE N . 52354 1 167 . 1 . 1 42 42 MET H H 1 8.015 0.020 . 1 . . . . . 130 MET H . 52354 1 168 . 1 . 1 42 42 MET C C 13 174.729 0.3 . 1 . . . . . 130 MET C . 52354 1 169 . 1 . 1 42 42 MET CA C 13 54.603 0.3 . 1 . . . . . 130 MET CA . 52354 1 170 . 1 . 1 42 42 MET CB C 13 31.200 0.3 . 1 . . . . . 130 MET CB . 52354 1 171 . 1 . 1 42 42 MET N N 15 124.954 0.3 . 1 . . . . . 130 MET N . 52354 1 172 . 1 . 1 43 43 TYR H H 1 8.697 0.020 . 1 . . . . . 131 TYR H . 52354 1 173 . 1 . 1 43 43 TYR C C 13 174.057 0.3 . 1 . . . . . 131 TYR C . 52354 1 174 . 1 . 1 43 43 TYR CA C 13 57.824 0.3 . 1 . . . . . 131 TYR CA . 52354 1 175 . 1 . 1 43 43 TYR CB C 13 42.197 0.3 . 1 . . . . . 131 TYR CB . 52354 1 176 . 1 . 1 43 43 TYR N N 15 122.932 0.3 . 1 . . . . . 131 TYR N . 52354 1 177 . 1 . 1 44 44 ASP H H 1 8.659 0.020 . 1 . . . . . 132 ASP H . 52354 1 178 . 1 . 1 44 44 ASP C C 13 176.626 0.3 . 1 . . . . . 132 ASP C . 52354 1 179 . 1 . 1 44 44 ASP CA C 13 53.287 0.3 . 1 . . . . . 132 ASP CA . 52354 1 180 . 1 . 1 44 44 ASP CB C 13 41.510 0.3 . 1 . . . . . 132 ASP CB . 52354 1 181 . 1 . 1 44 44 ASP N N 15 123.009 0.3 . 1 . . . . . 132 ASP N . 52354 1 182 . 1 . 1 45 45 GLN H H 1 8.888 0.020 . 1 . . . . . 133 GLN H . 52354 1 183 . 1 . 1 45 45 GLN C C 13 177.149 0.3 . 1 . . . . . 133 GLN C . 52354 1 184 . 1 . 1 45 45 GLN CA C 13 58.105 0.3 . 1 . . . . . 133 GLN CA . 52354 1 185 . 1 . 1 45 45 GLN CB C 13 28.553 0.3 . 1 . . . . . 133 GLN CB . 52354 1 186 . 1 . 1 45 45 GLN N N 15 123.057 0.3 . 1 . . . . . 133 GLN N . 52354 1 187 . 1 . 1 46 46 GLU H H 1 8.305 0.020 . 1 . . . . . 134 GLU H . 52354 1 188 . 1 . 1 46 46 GLU C C 13 177.253 0.3 . 1 . . . . . 134 GLU C . 52354 1 189 . 1 . 1 46 46 GLU CA C 13 58.025 0.3 . 1 . . . . . 134 GLU CA . 52354 1 190 . 1 . 1 46 46 GLU CB C 13 29.888 0.3 . 1 . . . . . 134 GLU CB . 52354 1 191 . 1 . 1 46 46 GLU N N 15 118.463 0.3 . 1 . . . . . 134 GLU N . 52354 1 192 . 1 . 1 47 47 LYS H H 1 8.019 0.020 . 1 . . . . . 135 LYS H . 52354 1 193 . 1 . 1 47 47 LYS C C 13 175.718 0.3 . 1 . . . . . 135 LYS C . 52354 1 194 . 1 . 1 47 47 LYS CA C 13 56.298 0.3 . 1 . . . . . 135 LYS CA . 52354 1 195 . 1 . 1 47 47 LYS CB C 13 32.234 0.3 . 1 . . . . . 135 LYS CB . 52354 1 196 . 1 . 1 47 47 LYS N N 15 117.221 0.3 . 1 . . . . . 135 LYS N . 52354 1 197 . 1 . 1 50 50 SER H H 1 8.827 0.020 . 1 . . . . . 138 SER H . 52354 1 198 . 1 . 1 50 50 SER C C 13 176.178 0.3 . 1 . . . . . 138 SER C . 52354 1 199 . 1 . 1 50 50 SER CA C 13 58.145 0.3 . 1 . . . . . 138 SER CA . 52354 1 200 . 1 . 1 50 50 SER CB C 13 63.725 0.3 . 1 . . . . . 138 SER CB . 52354 1 201 . 1 . 1 50 50 SER N N 15 117.336 0.3 . 1 . . . . . 138 SER N . 52354 1 202 . 1 . 1 51 51 ARG H H 1 8.911 0.020 . 1 . . . . . 139 ARG H . 52354 1 203 . 1 . 1 51 51 ARG C C 13 177.119 0.3 . 1 . . . . . 139 ARG C . 52354 1 204 . 1 . 1 51 51 ARG CA C 13 56.619 0.3 . 1 . . . . . 139 ARG CA . 52354 1 205 . 1 . 1 51 51 ARG CB C 13 31.074 0.3 . 1 . . . . . 139 ARG CB . 52354 1 206 . 1 . 1 51 51 ARG N N 15 123.625 0.3 . 1 . . . . . 139 ARG N . 52354 1 207 . 1 . 1 52 52 GLY H H 1 8.838 0.020 . 1 . . . . . 140 GLY H . 52354 1 208 . 1 . 1 52 52 GLY C C 13 172.325 0.3 . 1 . . . . . 140 GLY C . 52354 1 209 . 1 . 1 52 52 GLY CA C 13 45.666 0.3 . 1 . . . . . 140 GLY CA . 52354 1 210 . 1 . 1 52 52 GLY N N 15 106.685 0.3 . 1 . . . . . 140 GLY N . 52354 1 211 . 1 . 1 53 53 PHE H H 1 7.233 0.020 . 1 . . . . . 141 PHE H . 52354 1 212 . 1 . 1 53 53 PHE CA C 13 54.759 0.3 . 1 . . . . . 141 PHE CA . 52354 1 213 . 1 . 1 53 53 PHE CB C 13 41.447 0.3 . 1 . . . . . 141 PHE CB . 52354 1 214 . 1 . 1 53 53 PHE N N 15 114.575 0.3 . 1 . . . . . 141 PHE N . 52354 1 215 . 1 . 1 54 54 GLY H H 1 8.407 0.020 . 1 . . . . . 142 GLY H . 52354 1 216 . 1 . 1 54 54 GLY C C 13 169.681 0.3 . 1 . . . . . 142 GLY C . 52354 1 217 . 1 . 1 54 54 GLY CA C 13 45.317 0.3 . 1 . . . . . 142 GLY CA . 52354 1 218 . 1 . 1 54 54 GLY N N 15 106.011 0.3 . 1 . . . . . 142 GLY N . 52354 1 219 . 1 . 1 55 55 PHE H H 1 9.120 0.020 . 1 . . . . . 143 PHE H . 52354 1 220 . 1 . 1 55 55 PHE C C 13 173.520 0.3 . 1 . . . . . 143 PHE C . 52354 1 221 . 1 . 1 55 55 PHE CA C 13 56.097 0.3 . 1 . . . . . 143 PHE CA . 52354 1 222 . 1 . 1 55 55 PHE CB C 13 43.459 0.3 . 1 . . . . . 143 PHE CB . 52354 1 223 . 1 . 1 55 55 PHE N N 15 115.406 0.3 . 1 . . . . . 143 PHE N . 52354 1 224 . 1 . 1 56 56 LEU H H 1 8.767 0.020 . 1 . . . . . 144 LEU H . 52354 1 225 . 1 . 1 56 56 LEU C C 13 174.535 0.3 . 1 . . . . . 144 LEU C . 52354 1 226 . 1 . 1 56 56 LEU CA C 13 53.809 0.3 . 1 . . . . . 144 LEU CA . 52354 1 227 . 1 . 1 56 56 LEU CB C 13 45.953 0.3 . 1 . . . . . 144 LEU CB . 52354 1 228 . 1 . 1 56 56 LEU N N 15 121.766 0.3 . 1 . . . . . 144 LEU N . 52354 1 229 . 1 . 1 57 57 SER H H 1 8.534 0.020 . 1 . . . . . 145 SER H . 52354 1 230 . 1 . 1 57 57 SER C C 13 172.728 0.3 . 1 . . . . . 145 SER C . 52354 1 231 . 1 . 1 57 57 SER CA C 13 56.660 0.3 . 1 . . . . . 145 SER CA . 52354 1 232 . 1 . 1 57 57 SER CB C 13 65.675 0.3 . 1 . . . . . 145 SER CB . 52354 1 233 . 1 . 1 57 57 SER N N 15 117.904 0.3 . 1 . . . . . 145 SER N . 52354 1 234 . 1 . 1 58 58 PHE H H 1 8.931 0.020 . 1 . . . . . 146 PHE H . 52354 1 235 . 1 . 1 58 58 PHE CB C 13 43.594 0.3 . 1 . . . . . 146 PHE CB . 52354 1 236 . 1 . 1 58 58 PHE N N 15 120.618 0.3 . 1 . . . . . 146 PHE N . 52354 1 237 . 1 . 1 59 59 GLU H H 1 8.553 0.020 . 1 . . . . . 147 GLU H . 52354 1 238 . 1 . 1 59 59 GLU C C 13 176.800 0.3 . 1 . . . . . 147 GLU C . 52354 1 239 . 1 . 1 59 59 GLU CA C 13 59.230 0.3 . 1 . . . . . 147 GLU CA . 52354 1 240 . 1 . 1 59 59 GLU CB C 13 31.586 0.3 . 1 . . . . . 147 GLU CB . 52354 1 241 . 1 . 1 59 59 GLU N N 15 119.496 0.3 . 1 . . . . . 147 GLU N . 52354 1 242 . 1 . 1 60 60 GLU H H 1 8.611 0.020 . 1 . . . . . 148 GLU H . 52354 1 243 . 1 . 1 60 60 GLU C C 13 176.178 0.3 . 1 . . . . . 148 GLU C . 52354 1 244 . 1 . 1 60 60 GLU CA C 13 54.732 0.3 . 1 . . . . . 148 GLU CA . 52354 1 245 . 1 . 1 60 60 GLU CB C 13 32.296 0.3 . 1 . . . . . 148 GLU CB . 52354 1 246 . 1 . 1 60 60 GLU N N 15 114.621 0.3 . 1 . . . . . 148 GLU N . 52354 1 247 . 1 . 1 61 61 GLU H H 1 8.380 0.020 . 1 . . . . . 149 GLU H . 52354 1 248 . 1 . 1 61 61 GLU C C 13 178.896 0.3 . 1 . . . . . 149 GLU C . 52354 1 249 . 1 . 1 61 61 GLU CA C 13 59.060 0.3 . 1 . . . . . 149 GLU CA . 52354 1 250 . 1 . 1 61 61 GLU CB C 13 29.151 0.3 . 1 . . . . . 149 GLU CB . 52354 1 251 . 1 . 1 61 61 GLU N N 15 124.501 0.3 . 1 . . . . . 149 GLU N . 52354 1 252 . 1 . 1 62 62 SER H H 1 8.530 0.020 . 1 . . . . . 150 SER H . 52354 1 253 . 1 . 1 62 62 SER CA C 13 60.430 0.3 . 1 . . . . . 150 SER CA . 52354 1 254 . 1 . 1 62 62 SER CB C 13 61.526 0.3 . 1 . . . . . 150 SER CB . 52354 1 255 . 1 . 1 62 62 SER N N 15 114.303 0.3 . 1 . . . . . 150 SER N . 52354 1 256 . 1 . 1 66 66 HIS H H 1 7.756 0.020 . 1 . . . . . 154 HIS H . 52354 1 257 . 1 . 1 66 66 HIS C C 13 178.015 0.3 . 1 . . . . . 154 HIS C . 52354 1 258 . 1 . 1 66 66 HIS CA C 13 57.945 0.3 . 1 . . . . . 154 HIS CA . 52354 1 259 . 1 . 1 66 66 HIS N N 15 114.841 0.3 . 1 . . . . . 154 HIS N . 52354 1 260 . 1 . 1 67 67 VAL H H 1 7.947 0.020 . 1 . . . . . 155 VAL H . 52354 1 261 . 1 . 1 67 67 VAL C C 13 176.716 0.3 . 1 . . . . . 155 VAL C . 52354 1 262 . 1 . 1 67 67 VAL CA C 13 64.490 0.3 . 1 . . . . . 155 VAL CA . 52354 1 263 . 1 . 1 67 67 VAL CB C 13 31.633 0.3 . 1 . . . . . 155 VAL CB . 52354 1 264 . 1 . 1 67 67 VAL N N 15 114.072 0.3 . 1 . . . . . 155 VAL N . 52354 1 265 . 1 . 1 68 68 THR H H 1 7.846 0.020 . 1 . . . . . 156 THR H . 52354 1 266 . 1 . 1 68 68 THR C C 13 176.133 0.3 . 1 . . . . . 156 THR C . 52354 1 267 . 1 . 1 68 68 THR CA C 13 63.813 0.3 . 1 . . . . . 156 THR CA . 52354 1 268 . 1 . 1 68 68 THR CB C 13 68.551 0.3 . 1 . . . . . 156 THR CB . 52354 1 269 . 1 . 1 68 68 THR N N 15 110.027 0.3 . 1 . . . . . 156 THR N . 52354 1 270 . 1 . 1 69 69 ASN H H 1 7.685 0.020 . 1 . . . . . 157 ASN H . 52354 1 271 . 1 . 1 69 69 ASN CA C 13 55.510 0.3 . 1 . . . . . 157 ASN CA . 52354 1 272 . 1 . 1 69 69 ASN CB C 13 38.708 0.3 . 1 . . . . . 157 ASN CB . 52354 1 273 . 1 . 1 69 69 ASN N N 15 120.339 0.3 . 1 . . . . . 157 ASN N . 52354 1 274 . 1 . 1 70 70 GLU H H 1 7.477 0.020 . 1 . . . . . 158 GLU H . 52354 1 275 . 1 . 1 70 70 GLU C C 13 177.477 0.3 . 1 . . . . . 158 GLU C . 52354 1 276 . 1 . 1 70 70 GLU CA C 13 57.061 0.3 . 1 . . . . . 158 GLU CA . 52354 1 277 . 1 . 1 70 70 GLU CB C 13 30.777 0.3 . 1 . . . . . 158 GLU CB . 52354 1 278 . 1 . 1 70 70 GLU N N 15 117.839 0.3 . 1 . . . . . 158 GLU N . 52354 1 279 . 1 . 1 71 71 ARG H H 1 7.970 0.020 . 1 . . . . . 159 ARG H . 52354 1 280 . 1 . 1 71 71 ARG C C 13 174.953 0.3 . 1 . . . . . 159 ARG C . 52354 1 281 . 1 . 1 71 71 ARG CA C 13 60.274 0.3 . 1 . . . . . 159 ARG CA . 52354 1 282 . 1 . 1 71 71 ARG CB C 13 29.876 0.3 . 1 . . . . . 159 ARG CB . 52354 1 283 . 1 . 1 71 71 ARG N N 15 116.325 0.3 . 1 . . . . . 159 ARG N . 52354 1 284 . 1 . 1 72 72 TYR H H 1 8.267 0.020 . 1 . . . . . 160 TYR H . 52354 1 285 . 1 . 1 72 72 TYR C C 13 175.491 0.3 . 1 . . . . . 160 TYR C . 52354 1 286 . 1 . 1 72 72 TYR CA C 13 55.937 0.3 . 1 . . . . . 160 TYR CA . 52354 1 287 . 1 . 1 72 72 TYR CB C 13 41.873 0.3 . 1 . . . . . 160 TYR CB . 52354 1 288 . 1 . 1 72 72 TYR N N 15 116.065 0.3 . 1 . . . . . 160 TYR N . 52354 1 289 . 1 . 1 73 73 ILE H H 1 9.065 0.020 . 1 . . . . . 161 ILE H . 52354 1 290 . 1 . 1 73 73 ILE C C 13 173.609 0.3 . 1 . . . . . 161 ILE C . 52354 1 291 . 1 . 1 73 73 ILE CA C 13 58.989 0.3 . 1 . . . . . 161 ILE CA . 52354 1 292 . 1 . 1 73 73 ILE N N 15 118.814 0.3 . 1 . . . . . 161 ILE N . 52354 1 293 . 1 . 1 74 74 ASN H H 1 8.518 0.020 . 1 . . . . . 162 ASN H . 52354 1 294 . 1 . 1 74 74 ASN C C 13 173.759 0.3 . 1 . . . . . 162 ASN C . 52354 1 295 . 1 . 1 74 74 ASN CA C 13 52.323 0.3 . 1 . . . . . 162 ASN CA . 52354 1 296 . 1 . 1 74 74 ASN CB C 13 39.151 0.3 . 1 . . . . . 162 ASN CB . 52354 1 297 . 1 . 1 74 74 ASN N N 15 122.997 0.3 . 1 . . . . . 162 ASN N . 52354 1 298 . 1 . 1 75 75 LEU H H 1 8.850 0.020 . 1 . . . . . 163 LEU H . 52354 1 299 . 1 . 1 75 75 LEU C C 13 174.924 0.3 . 1 . . . . . 163 LEU C . 52354 1 300 . 1 . 1 75 75 LEU CA C 13 53.315 0.3 . 1 . . . . . 163 LEU CA . 52354 1 301 . 1 . 1 75 75 LEU CB C 13 43.160 0.3 . 1 . . . . . 163 LEU CB . 52354 1 302 . 1 . 1 75 75 LEU N N 15 128.093 0.3 . 1 . . . . . 163 LEU N . 52354 1 303 . 1 . 1 76 76 ASN H H 1 8.793 0.020 . 1 . . . . . 164 ASN H . 52354 1 304 . 1 . 1 76 76 ASN C C 13 174.950 0.3 . 1 . . . . . 164 ASN C . 52354 1 305 . 1 . 1 76 76 ASN CA C 13 53.688 0.3 . 1 . . . . . 164 ASN CA . 52354 1 306 . 1 . 1 76 76 ASN CB C 13 36.960 0.3 . 1 . . . . . 164 ASN CB . 52354 1 307 . 1 . 1 76 76 ASN N N 15 122.537 0.3 . 1 . . . . . 164 ASN N . 52354 1 308 . 1 . 1 77 77 GLY H H 1 8.094 0.020 . 1 . . . . . 165 GLY H . 52354 1 309 . 1 . 1 77 77 GLY C C 13 173.639 0.3 . 1 . . . . . 165 GLY C . 52354 1 310 . 1 . 1 77 77 GLY CA C 13 45.513 0.3 . 1 . . . . . 165 GLY CA . 52354 1 311 . 1 . 1 77 77 GLY N N 15 103.748 0.3 . 1 . . . . . 165 GLY N . 52354 1 312 . 1 . 1 78 78 LYS H H 1 7.603 0.020 . 1 . . . . . 166 LYS H . 52354 1 313 . 1 . 1 78 78 LYS C C 13 174.610 0.3 . 1 . . . . . 166 LYS C . 52354 1 314 . 1 . 1 78 78 LYS CA C 13 53.407 0.3 . 1 . . . . . 166 LYS CA . 52354 1 315 . 1 . 1 78 78 LYS CB C 13 34.320 0.3 . 1 . . . . . 166 LYS CB . 52354 1 316 . 1 . 1 78 78 LYS N N 15 121.996 0.3 . 1 . . . . . 166 LYS N . 52354 1 317 . 1 . 1 79 79 GLN H H 1 8.517 0.020 . 1 . . . . . 167 GLN H . 52354 1 318 . 1 . 1 79 79 GLN C C 13 175.073 0.3 . 1 . . . . . 167 GLN C . 52354 1 319 . 1 . 1 79 79 GLN CA C 13 56.233 0.3 . 1 . . . . . 167 GLN CA . 52354 1 320 . 1 . 1 79 79 GLN CB C 13 29.362 0.3 . 1 . . . . . 167 GLN CB . 52354 1 321 . 1 . 1 79 79 GLN N N 15 123.885 0.3 . 1 . . . . . 167 GLN N . 52354 1 322 . 1 . 1 80 80 VAL H H 1 9.230 0.020 . 1 . . . . . 168 VAL H . 52354 1 323 . 1 . 1 80 80 VAL C C 13 174.625 0.3 . 1 . . . . . 168 VAL C . 52354 1 324 . 1 . 1 80 80 VAL CA C 13 61.277 0.3 . 1 . . . . . 168 VAL CA . 52354 1 325 . 1 . 1 80 80 VAL CB C 13 34.166 0.3 . 1 . . . . . 168 VAL CB . 52354 1 326 . 1 . 1 80 80 VAL N N 15 129.692 0.3 . 1 . . . . . 168 VAL N . 52354 1 327 . 1 . 1 81 81 GLU H H 1 8.712 0.020 . 1 . . . . . 169 GLU H . 52354 1 328 . 1 . 1 81 81 GLU C C 13 174.770 0.3 . 1 . . . . . 169 GLU C . 52354 1 329 . 1 . 1 81 81 GLU CA C 13 55.415 0.3 . 1 . . . . . 169 GLU CA . 52354 1 330 . 1 . 1 81 81 GLU CB C 13 31.782 0.3 . 1 . . . . . 169 GLU CB . 52354 1 331 . 1 . 1 81 81 GLU N N 15 127.727 0.3 . 1 . . . . . 169 GLU N . 52354 1 332 . 1 . 1 82 82 ILE H H 1 8.560 0.020 . 1 . . . . . 170 ILE H . 52354 1 333 . 1 . 1 82 82 ILE C C 13 175.283 0.3 . 1 . . . . . 170 ILE C . 52354 1 334 . 1 . 1 82 82 ILE CA C 13 59.033 0.3 . 1 . . . . . 170 ILE CA . 52354 1 335 . 1 . 1 82 82 ILE CB C 13 39.677 0.3 . 1 . . . . . 170 ILE CB . 52354 1 336 . 1 . 1 82 82 ILE N N 15 125.156 0.3 . 1 . . . . . 170 ILE N . 52354 1 337 . 1 . 1 83 83 LYS H H 1 8.792 0.020 . 1 . . . . . 171 LYS H . 52354 1 338 . 1 . 1 83 83 LYS C C 13 175.322 0.3 . 1 . . . . . 171 LYS C . 52354 1 339 . 1 . 1 83 83 LYS CA C 13 54.411 0.3 . 1 . . . . . 171 LYS CA . 52354 1 340 . 1 . 1 83 83 LYS CB C 13 36.410 0.3 . 1 . . . . . 171 LYS CB . 52354 1 341 . 1 . 1 83 83 LYS N N 15 123.420 0.3 . 1 . . . . . 171 LYS N . 52354 1 342 . 1 . 1 84 84 LYS H H 1 8.964 0.020 . 1 . . . . . 172 LYS H . 52354 1 343 . 1 . 1 84 84 LYS C C 13 176.148 0.3 . 1 . . . . . 172 LYS C . 52354 1 344 . 1 . 1 84 84 LYS CA C 13 58.266 0.3 . 1 . . . . . 172 LYS CA . 52354 1 345 . 1 . 1 84 84 LYS CB C 13 32.815 0.3 . 1 . . . . . 172 LYS CB . 52354 1 346 . 1 . 1 84 84 LYS N N 15 122.382 0.3 . 1 . . . . . 172 LYS N . 52354 1 347 . 1 . 1 85 85 ALA H H 1 8.109 0.020 . 1 . . . . . 173 ALA H . 52354 1 348 . 1 . 1 85 85 ALA C C 13 176.492 0.3 . 1 . . . . . 173 ALA C . 52354 1 349 . 1 . 1 85 85 ALA CA C 13 52.042 0.3 . 1 . . . . . 173 ALA CA . 52354 1 350 . 1 . 1 85 85 ALA CB C 13 19.648 0.3 . 1 . . . . . 173 ALA CB . 52354 1 351 . 1 . 1 85 85 ALA N N 15 125.936 0.3 . 1 . . . . . 173 ALA N . 52354 1 352 . 1 . 1 86 86 GLU H H 1 8.667 0.020 . 1 . . . . . 174 GLU H . 52354 1 353 . 1 . 1 86 86 GLU C C 13 174.834 0.3 . 1 . . . . . 174 GLU C . 52354 1 354 . 1 . 1 86 86 GLU CA C 13 54.071 0.3 . 1 . . . . . 174 GLU CA . 52354 1 355 . 1 . 1 86 86 GLU CB C 13 29.833 0.3 . 1 . . . . . 174 GLU CB . 52354 1 356 . 1 . 1 86 86 GLU N N 15 122.633 0.3 . 1 . . . . . 174 GLU N . 52354 1 stop_ save_