data_51834 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51834 _Entry.Title ; hADAR1p150 Zalpha P193A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-02-16 _Entry.Accession_date 2023-02-16 _Entry.Last_release_date 2023-02-16 _Entry.Original_release_date 2023-02-16 _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 . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Conner Langeberg . . . 0000-0002-5609-3758 51834 2 Parker Nichols . . . . 51834 3 Morkos Henen . . . . 51834 4 Quentin Vicens . . . . 51834 5 Beat Vogeli . . . . 51834 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51834 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 160 51834 '15N chemical shifts' 67 51834 '1H chemical shifts' 324 51834 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2023-05-07 2023-02-16 update BMRB 'update entry citation' 51834 1 . . 2023-03-14 2023-02-16 original author 'original release' 51834 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51833 'hADARp150 Zalpha N173S' 51834 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51834 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36889460 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Differential Structural Features of Two Mutant ADAR1p150 Za Domains Cause Aicardi-Goutieres Syndrome ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 435 _Citation.Journal_issue 8 _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 168040 _Citation.Page_last 168040 _Citation.Year 2023 _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 Conner Langeberg . . . . 51834 1 2 Parker Nichols . . . . 51834 1 3 Morkos Henen . . . . 51834 1 4 Quentin Vicens . . . . 51834 1 5 Beat Vogeli . . . . 51834 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51834 _Assembly.ID 1 _Assembly.Name 'hADAR1p150 Zalpha P193A' _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 'hADAR1p150 Zalpha P193A' 1 $entity_1 . . yes native no no . . . 51834 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51834 _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 ; MGSSHHHHHHSSGLVPRGSH MEQRILKFLEELGEGKATTA HDLSGKLGTPKKEINRVLYS LAKKGKLQKEAGTPALWKIA VSTQ ; _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 84 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 1 119 MET . 51834 1 2 120 GLY . 51834 1 3 121 SER . 51834 1 4 122 SER . 51834 1 5 123 HIS . 51834 1 6 124 HIS . 51834 1 7 125 HIS . 51834 1 8 126 HIS . 51834 1 9 127 HIS . 51834 1 10 128 HIS . 51834 1 11 129 SER . 51834 1 12 130 SER . 51834 1 13 131 GLY . 51834 1 14 132 LEU . 51834 1 15 133 VAL . 51834 1 16 134 PRO . 51834 1 17 135 ARG . 51834 1 18 136 GLY . 51834 1 19 137 SER . 51834 1 20 138 HIS . 51834 1 21 139 MET . 51834 1 22 140 GLU . 51834 1 23 141 GLN . 51834 1 24 142 ARG . 51834 1 25 143 ILE . 51834 1 26 144 LEU . 51834 1 27 145 LYS . 51834 1 28 146 PHE . 51834 1 29 147 LEU . 51834 1 30 148 GLU . 51834 1 31 149 GLU . 51834 1 32 150 LEU . 51834 1 33 151 GLY . 51834 1 34 152 GLU . 51834 1 35 153 GLY . 51834 1 36 154 LYS . 51834 1 37 155 ALA . 51834 1 38 156 THR . 51834 1 39 157 THR . 51834 1 40 158 ALA . 51834 1 41 159 HIS . 51834 1 42 160 ASP . 51834 1 43 161 LEU . 51834 1 44 162 SER . 51834 1 45 163 GLY . 51834 1 46 164 LYS . 51834 1 47 165 LEU . 51834 1 48 166 GLY . 51834 1 49 167 THR . 51834 1 50 168 PRO . 51834 1 51 169 LYS . 51834 1 52 170 LYS . 51834 1 53 171 GLU . 51834 1 54 172 ILE . 51834 1 55 173 ASN . 51834 1 56 174 ARG . 51834 1 57 175 VAL . 51834 1 58 176 LEU . 51834 1 59 177 TYR . 51834 1 60 178 SER . 51834 1 61 179 LEU . 51834 1 62 180 ALA . 51834 1 63 181 LYS . 51834 1 64 182 LYS . 51834 1 65 183 GLY . 51834 1 66 184 LYS . 51834 1 67 185 LEU . 51834 1 68 186 GLN . 51834 1 69 187 LYS . 51834 1 70 188 GLU . 51834 1 71 189 ALA . 51834 1 72 190 GLY . 51834 1 73 191 THR . 51834 1 74 192 PRO . 51834 1 75 193 ALA . 51834 1 76 194 LEU . 51834 1 77 195 TRP . 51834 1 78 196 LYS . 51834 1 79 197 ILE . 51834 1 80 198 ALA . 51834 1 81 199 VAL . 51834 1 82 200 SER . 51834 1 83 201 THR . 51834 1 84 202 GLN . 51834 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 51834 1 . GLY 2 2 51834 1 . SER 3 3 51834 1 . SER 4 4 51834 1 . HIS 5 5 51834 1 . HIS 6 6 51834 1 . HIS 7 7 51834 1 . HIS 8 8 51834 1 . HIS 9 9 51834 1 . HIS 10 10 51834 1 . SER 11 11 51834 1 . SER 12 12 51834 1 . GLY 13 13 51834 1 . LEU 14 14 51834 1 . VAL 15 15 51834 1 . PRO 16 16 51834 1 . ARG 17 17 51834 1 . GLY 18 18 51834 1 . SER 19 19 51834 1 . HIS 20 20 51834 1 . MET 21 21 51834 1 . GLU 22 22 51834 1 . GLN 23 23 51834 1 . ARG 24 24 51834 1 . ILE 25 25 51834 1 . LEU 26 26 51834 1 . LYS 27 27 51834 1 . PHE 28 28 51834 1 . LEU 29 29 51834 1 . GLU 30 30 51834 1 . GLU 31 31 51834 1 . LEU 32 32 51834 1 . GLY 33 33 51834 1 . GLU 34 34 51834 1 . GLY 35 35 51834 1 . LYS 36 36 51834 1 . ALA 37 37 51834 1 . THR 38 38 51834 1 . THR 39 39 51834 1 . ALA 40 40 51834 1 . HIS 41 41 51834 1 . ASP 42 42 51834 1 . LEU 43 43 51834 1 . SER 44 44 51834 1 . GLY 45 45 51834 1 . LYS 46 46 51834 1 . LEU 47 47 51834 1 . GLY 48 48 51834 1 . THR 49 49 51834 1 . PRO 50 50 51834 1 . LYS 51 51 51834 1 . LYS 52 52 51834 1 . GLU 53 53 51834 1 . ILE 54 54 51834 1 . ASN 55 55 51834 1 . ARG 56 56 51834 1 . VAL 57 57 51834 1 . LEU 58 58 51834 1 . TYR 59 59 51834 1 . SER 60 60 51834 1 . LEU 61 61 51834 1 . ALA 62 62 51834 1 . LYS 63 63 51834 1 . LYS 64 64 51834 1 . GLY 65 65 51834 1 . LYS 66 66 51834 1 . LEU 67 67 51834 1 . GLN 68 68 51834 1 . LYS 69 69 51834 1 . GLU 70 70 51834 1 . ALA 71 71 51834 1 . GLY 72 72 51834 1 . THR 73 73 51834 1 . PRO 74 74 51834 1 . ALA 75 75 51834 1 . LEU 76 76 51834 1 . TRP 77 77 51834 1 . LYS 78 78 51834 1 . ILE 79 79 51834 1 . ALA 80 80 51834 1 . VAL 81 81 51834 1 . SER 82 82 51834 1 . THR 83 83 51834 1 . GLN 84 84 51834 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 51834 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51834 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 51834 _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 . . pET28a(+) . . . 51834 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51834 _Sample.ID 1 _Sample.Name 'hADAR1p150 Zalpha P193A' _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 'hADAR1p150 Zalpha P193A' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 2 . . mM . . . . 51834 1 2 'Phosphate buffer' 'natural abundance' . . . . . . 25 . . mM . . . . 51834 1 3 NaCl 'natural abundance' . . . . . . 75 . . mM . . . . 51834 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 51834 _Sample_condition_list.ID 1 _Sample_condition_list.Name sample_condition_list _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' 100 . mM 51834 1 pH 6.4 . pH 51834 1 pressure 1 . atm 51834 1 temperature 277 . K 51834 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51834 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51834 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51834 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure solution' . 51834 2 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 51834 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name NMR_spectrometer_1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 51834 _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 . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51834 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51834 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51834 1 4 '3D HNHAHB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51834 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51834 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51834 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51834 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 51834 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name chem_shift_reference _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 na 'methyl carbon' . . . . ppm 50 na indirect . . . . . . 51834 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 51834 1 N 15 na nitrogen . . . . ppm 150 na indirect . . . . . . 51834 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 51834 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chem_shift_list _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 3 '3D HNCACB' . . . 51834 1 4 '3D HNHAHB' . . . 51834 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 . . 51834 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 20 20 HIS HA H 1 4.548 0.000 . . . . . . . 138 H HA . 51834 1 2 . 1 . 1 20 20 HIS HB2 H 1 3.337 0.000 . . . . . . . 138 H HB2 . 51834 1 3 . 1 . 1 21 21 MET H H 1 8.416 0.000 . . . . . . . 139 M H . 51834 1 4 . 1 . 1 21 21 MET HA H 1 4.239 0.000 . . . . . . . 139 M HA . 51834 1 5 . 1 . 1 21 21 MET CA C 13 57.613 0.000 . . . . . . . 139 M CA . 51834 1 6 . 1 . 1 21 21 MET CB C 13 31.848 0.000 . . . . . . . 139 M CB . 51834 1 7 . 1 . 1 21 21 MET N N 15 119.682 0.000 . . . . . . . 139 M N . 51834 1 8 . 1 . 1 22 22 GLU H H 1 8.368 0.000 . . . . . . . 140 E H . 51834 1 9 . 1 . 1 22 22 GLU HA H 1 3.594 0.000 . . . . . . . 140 E HA . 51834 1 10 . 1 . 1 22 22 GLU HB2 H 1 2.218 0.000 . . . . . . . 140 E HB2 . 51834 1 11 . 1 . 1 22 22 GLU HG2 H 1 2.129 0.000 . . . . . . . 140 E HG2 . 51834 1 12 . 1 . 1 22 22 GLU HG3 H 1 2.105 0.000 . . . . . . . 140 E HG3 . 51834 1 13 . 1 . 1 22 22 GLU CA C 13 60.774 0.000 . . . . . . . 140 E CA . 51834 1 14 . 1 . 1 22 22 GLU CB C 13 29.476 0.000 . . . . . . . 140 E CB . 51834 1 15 . 1 . 1 22 22 GLU N N 15 118.376 0.000 . . . . . . . 140 E N . 51834 1 16 . 1 . 1 23 23 GLN H H 1 7.756 0.000 . . . . . . . 141 Q H . 51834 1 17 . 1 . 1 23 23 GLN HA H 1 4.017 0.000 . . . . . . . 141 Q HA . 51834 1 18 . 1 . 1 23 23 GLN HB2 H 1 2.186 0.000 . . . . . . . 141 Q HB2 . 51834 1 19 . 1 . 1 23 23 GLN HB3 H 1 2.220 0.000 . . . . . . . 141 Q HB3 . 51834 1 20 . 1 . 1 23 23 GLN HG2 H 1 2.445 0.000 . . . . . . . 141 Q HG2 . 51834 1 21 . 1 . 1 23 23 GLN HG3 H 1 2.466 0.000 . . . . . . . 141 Q HG3 . 51834 1 22 . 1 . 1 23 23 GLN HE21 H 1 7.428 0.000 . . . . . . . 141 Q HE21 . 51834 1 23 . 1 . 1 23 23 GLN HE22 H 1 6.851 0.000 . . . . . . . 141 Q HE22 . 51834 1 24 . 1 . 1 23 23 GLN CA C 13 59.067 0.000 . . . . . . . 141 Q CA . 51834 1 25 . 1 . 1 23 23 GLN CB C 13 28.439 0.000 . . . . . . . 141 Q CB . 51834 1 26 . 1 . 1 23 23 GLN CG C 13 34.395 0.000 . . . . . . . 141 Q CG . 51834 1 27 . 1 . 1 23 23 GLN N N 15 115.835 0.000 . . . . . . . 141 Q N . 51834 1 28 . 1 . 1 23 23 GLN NE2 N 15 112.124 0.000 . . . . . . . 141 Q NE2 . 51834 1 29 . 1 . 1 24 24 ARG H H 1 8.017 0.000 . . . . . . . 142 R H . 51834 1 30 . 1 . 1 24 24 ARG HA H 1 4.034 0.000 . . . . . . . 142 R HA . 51834 1 31 . 1 . 1 24 24 ARG HB2 H 1 1.934 0.000 . . . . . . . 142 R HB2 . 51834 1 32 . 1 . 1 24 24 ARG HG2 H 1 1.610 0.000 . . . . . . . 142 R HG2 . 51834 1 33 . 1 . 1 24 24 ARG HG3 H 1 1.635 0.000 . . . . . . . 142 R HG3 . 51834 1 34 . 1 . 1 24 24 ARG HD2 H 1 3.178 0.000 . . . . . . . 142 R HD2 . 51834 1 35 . 1 . 1 24 24 ARG HD3 H 1 3.165 0.000 . . . . . . . 142 R HD3 . 51834 1 36 . 1 . 1 24 24 ARG CA C 13 59.722 0.000 . . . . . . . 142 R CA . 51834 1 37 . 1 . 1 24 24 ARG CB C 13 30.818 0.000 . . . . . . . 142 R CB . 51834 1 38 . 1 . 1 24 24 ARG CG C 13 27.270 0.000 . . . . . . . 142 R CG . 51834 1 39 . 1 . 1 24 24 ARG CD C 13 44.279 0.000 . . . . . . . 142 R CD . 51834 1 40 . 1 . 1 24 24 ARG N N 15 119.047 0.000 . . . . . . . 142 R N . 51834 1 41 . 1 . 1 25 25 ILE H H 1 8.087 0.000 . . . . . . . 143 I H . 51834 1 42 . 1 . 1 25 25 ILE HA H 1 3.518 0.000 . . . . . . . 143 I HA . 51834 1 43 . 1 . 1 25 25 ILE HB H 1 1.797 0.000 . . . . . . . 143 I HB . 51834 1 44 . 1 . 1 25 25 ILE HG12 H 1 1.742 0.000 . . . . . . . 143 I HG12 . 51834 1 45 . 1 . 1 25 25 ILE HG13 H 1 0.752 0.000 . . . . . . . 143 I HG13 . 51834 1 46 . 1 . 1 25 25 ILE HD11 H 1 0.656 0.000 . . . . . . . 143 I QD1 . 51834 1 47 . 1 . 1 25 25 ILE HD12 H 1 0.656 0.000 . . . . . . . 143 I QD1 . 51834 1 48 . 1 . 1 25 25 ILE HD13 H 1 0.656 0.000 . . . . . . . 143 I QD1 . 51834 1 49 . 1 . 1 25 25 ILE CA C 13 66.177 0.000 . . . . . . . 143 I CA . 51834 1 50 . 1 . 1 25 25 ILE CB C 13 38.090 0.000 . . . . . . . 143 I CB . 51834 1 51 . 1 . 1 25 25 ILE CG1 C 13 30.395 0.000 . . . . . . . 143 I CG1 . 51834 1 52 . 1 . 1 25 25 ILE CD1 C 13 14.113 0.000 . . . . . . . 143 I CD1 . 51834 1 53 . 1 . 1 25 25 ILE N N 15 120.200 0.000 . . . . . . . 143 I N . 51834 1 54 . 1 . 1 26 26 LEU H H 1 8.131 0.000 . . . . . . . 144 L H . 51834 1 55 . 1 . 1 26 26 LEU HA H 1 3.964 0.000 . . . . . . . 144 L HA . 51834 1 56 . 1 . 1 26 26 LEU HB2 H 1 1.858 0.000 . . . . . . . 144 L HB2 . 51834 1 57 . 1 . 1 26 26 LEU HB3 H 1 1.584 0.000 . . . . . . . 144 L HB3 . 51834 1 58 . 1 . 1 26 26 LEU HD11 H 1 0.922 0.000 . . . . . . . 144 L QD1 . 51834 1 59 . 1 . 1 26 26 LEU HD12 H 1 0.922 0.000 . . . . . . . 144 L QD1 . 51834 1 60 . 1 . 1 26 26 LEU HD13 H 1 0.922 0.000 . . . . . . . 144 L QD1 . 51834 1 61 . 1 . 1 26 26 LEU HD21 H 1 0.880 0.000 . . . . . . . 144 L QD2 . 51834 1 62 . 1 . 1 26 26 LEU HD22 H 1 0.880 0.000 . . . . . . . 144 L QD2 . 51834 1 63 . 1 . 1 26 26 LEU HD23 H 1 0.880 0.000 . . . . . . . 144 L QD2 . 51834 1 64 . 1 . 1 26 26 LEU CA C 13 58.765 0.000 . . . . . . . 144 L CA . 51834 1 65 . 1 . 1 26 26 LEU CB C 13 41.151 0.000 . . . . . . . 144 L CB . 51834 1 66 . 1 . 1 26 26 LEU CD1 C 13 23.924 0.000 . . . . . . . 144 L CD1 . 51834 1 67 . 1 . 1 26 26 LEU CD2 C 13 23.724 0.000 . . . . . . . 144 L CD2 . 51834 1 68 . 1 . 1 26 26 LEU N N 15 119.116 0.000 . . . . . . . 144 L N . 51834 1 69 . 1 . 1 27 27 LYS H H 1 8.191 0.000 . . . . . . . 145 K H . 51834 1 70 . 1 . 1 27 27 LYS HA H 1 4.063 0.000 . . . . . . . 145 K HA . 51834 1 71 . 1 . 1 27 27 LYS HB2 H 1 1.942 0.000 . . . . . . . 145 K HB2 . 51834 1 72 . 1 . 1 27 27 LYS HB3 H 1 2.326 0.000 . . . . . . . 145 K HB3 . 51834 1 73 . 1 . 1 27 27 LYS CA C 13 58.930 0.000 . . . . . . . 145 K CA . 51834 1 74 . 1 . 1 27 27 LYS CB C 13 32.215 0.000 . . . . . . . 145 K CB . 51834 1 75 . 1 . 1 27 27 LYS N N 15 118.568 0.000 . . . . . . . 145 K N . 51834 1 76 . 1 . 1 28 28 PHE H H 1 7.702 0.000 . . . . . . . 146 F H . 51834 1 77 . 1 . 1 28 28 PHE HA H 1 4.138 0.000 . . . . . . . 146 F HA . 51834 1 78 . 1 . 1 28 28 PHE HB2 H 1 3.251 0.000 . . . . . . . 146 F HB2 . 51834 1 79 . 1 . 1 28 28 PHE HB3 H 1 3.140 0.000 . . . . . . . 146 F HB3 . 51834 1 80 . 1 . 1 28 28 PHE CA C 13 61.608 0.000 . . . . . . . 146 F CA . 51834 1 81 . 1 . 1 28 28 PHE CB C 13 39.231 0.000 . . . . . . . 146 F CB . 51834 1 82 . 1 . 1 28 28 PHE N N 15 119.035 0.000 . . . . . . . 146 F N . 51834 1 83 . 1 . 1 29 29 LEU H H 1 8.311 0.000 . . . . . . . 147 L H . 51834 1 84 . 1 . 1 29 29 LEU HA H 1 4.046 0.000 . . . . . . . 147 L HA . 51834 1 85 . 1 . 1 29 29 LEU HB2 H 1 2.026 0.000 . . . . . . . 147 L HB2 . 51834 1 86 . 1 . 1 29 29 LEU HB3 H 1 1.529 0.000 . . . . . . . 147 L HB3 . 51834 1 87 . 1 . 1 29 29 LEU CA C 13 58.034 0.000 . . . . . . . 147 L CA . 51834 1 88 . 1 . 1 29 29 LEU CB C 13 41.976 0.000 . . . . . . . 147 L CB . 51834 1 89 . 1 . 1 29 29 LEU N N 15 118.359 0.000 . . . . . . . 147 L N . 51834 1 90 . 1 . 1 30 30 GLU H H 1 8.681 0.000 . . . . . . . 148 E H . 51834 1 91 . 1 . 1 30 30 GLU HA H 1 3.948 0.000 . . . . . . . 148 E HA . 51834 1 92 . 1 . 1 30 30 GLU HB2 H 1 2.146 0.000 . . . . . . . 148 E HB2 . 51834 1 93 . 1 . 1 30 30 GLU HB3 H 1 2.348 0.000 . . . . . . . 148 E HB3 . 51834 1 94 . 1 . 1 30 30 GLU HG2 H 1 2.252 0.000 . . . . . . . 148 E HG2 . 51834 1 95 . 1 . 1 30 30 GLU HG3 H 1 2.276 0.000 . . . . . . . 148 E HG3 . 51834 1 96 . 1 . 1 30 30 GLU CA C 13 59.883 0.000 . . . . . . . 148 E CA . 51834 1 97 . 1 . 1 30 30 GLU CB C 13 29.791 0.000 . . . . . . . 148 E CB . 51834 1 98 . 1 . 1 30 30 GLU CG C 13 36.281 0.000 . . . . . . . 148 E CG . 51834 1 99 . 1 . 1 30 30 GLU N N 15 122.213 0.000 . . . . . . . 148 E N . 51834 1 100 . 1 . 1 31 31 GLU H H 1 7.814 0.000 . . . . . . . 149 E H . 51834 1 101 . 1 . 1 31 31 GLU HA H 1 4.017 0.000 . . . . . . . 149 E HA . 51834 1 102 . 1 . 1 31 31 GLU HB2 H 1 2.004 0.000 . . . . . . . 149 E HB2 . 51834 1 103 . 1 . 1 31 31 GLU HG2 H 1 2.522 0.000 . . . . . . . 149 E HG2 . 51834 1 104 . 1 . 1 31 31 GLU HG3 H 1 2.538 0.000 . . . . . . . 149 E HG3 . 51834 1 105 . 1 . 1 31 31 GLU CA C 13 58.147 0.000 . . . . . . . 149 E CA . 51834 1 106 . 1 . 1 31 31 GLU CB C 13 29.493 0.000 . . . . . . . 149 E CB . 51834 1 107 . 1 . 1 31 31 GLU CG C 13 37.026 0.000 . . . . . . . 149 E CG . 51834 1 108 . 1 . 1 31 31 GLU N N 15 117.996 0.000 . . . . . . . 149 E N . 51834 1 109 . 1 . 1 32 32 LEU H H 1 7.394 0.000 . . . . . . . 150 L H . 51834 1 110 . 1 . 1 32 32 LEU HA H 1 4.010 0.000 . . . . . . . 150 L HA . 51834 1 111 . 1 . 1 32 32 LEU HB2 H 1 1.778 0.000 . . . . . . . 150 L HB2 . 51834 1 112 . 1 . 1 32 32 LEU HB3 H 1 1.515 0.000 . . . . . . . 150 L HB3 . 51834 1 113 . 1 . 1 32 32 LEU CA C 13 57.064 0.000 . . . . . . . 150 L CA . 51834 1 114 . 1 . 1 32 32 LEU CB C 13 42.883 0.000 . . . . . . . 150 L CB . 51834 1 115 . 1 . 1 32 32 LEU N N 15 119.897 0.000 . . . . . . . 150 L N . 51834 1 116 . 1 . 1 33 33 GLY H H 1 7.193 0.000 . . . . . . . 151 G H . 51834 1 117 . 1 . 1 33 33 GLY HA2 H 1 4.420 0.000 . . . . . . . 151 G HA2 . 51834 1 118 . 1 . 1 33 33 GLY HA3 H 1 3.780 0.000 . . . . . . . 151 G HA3 . 51834 1 119 . 1 . 1 33 33 GLY CA C 13 43.798 0.000 . . . . . . . 151 G CA . 51834 1 120 . 1 . 1 33 33 GLY N N 15 103.628 0.000 . . . . . . . 151 G N . 51834 1 121 . 1 . 1 34 34 GLU H H 1 8.534 0.000 . . . . . . . 152 E H . 51834 1 122 . 1 . 1 34 34 GLU HA H 1 4.081 0.000 . . . . . . . 152 E HA . 51834 1 123 . 1 . 1 34 34 GLU HB2 H 1 2.018 0.000 . . . . . . . 152 E HB2 . 51834 1 124 . 1 . 1 34 34 GLU CA C 13 58.306 0.000 . . . . . . . 152 E CA . 51834 1 125 . 1 . 1 34 34 GLU CB C 13 29.692 0.000 . . . . . . . 152 E CB . 51834 1 126 . 1 . 1 34 34 GLU N N 15 121.614 0.000 . . . . . . . 152 E N . 51834 1 127 . 1 . 1 35 35 GLY H H 1 9.029 0.000 . . . . . . . 153 G H . 51834 1 128 . 1 . 1 35 35 GLY HA2 H 1 3.994 0.000 . . . . . . . 153 G HA2 . 51834 1 129 . 1 . 1 35 35 GLY CA C 13 45.842 0.000 . . . . . . . 153 G CA . 51834 1 130 . 1 . 1 35 35 GLY N N 15 112.545 0.000 . . . . . . . 153 G N . 51834 1 131 . 1 . 1 36 36 LYS H H 1 7.250 0.000 . . . . . . . 154 K H . 51834 1 132 . 1 . 1 36 36 LYS HA H 1 4.489 0.000 . . . . . . . 154 K HA . 51834 1 133 . 1 . 1 36 36 LYS HB2 H 1 1.788 0.000 . . . . . . . 154 K HB2 . 51834 1 134 . 1 . 1 36 36 LYS HG2 H 1 1.417 0.000 . . . . . . . 154 K HG2 . 51834 1 135 . 1 . 1 36 36 LYS HG3 H 1 1.429 0.000 . . . . . . . 154 K HG3 . 51834 1 136 . 1 . 1 36 36 LYS CA C 13 55.343 0.000 . . . . . . . 154 K CA . 51834 1 137 . 1 . 1 36 36 LYS CB C 13 34.084 0.000 . . . . . . . 154 K CB . 51834 1 138 . 1 . 1 36 36 LYS N N 15 119.569 0.000 . . . . . . . 154 K N . 51834 1 139 . 1 . 1 37 37 ALA H H 1 8.136 0.000 . . . . . . . 155 A H . 51834 1 140 . 1 . 1 37 37 ALA HA H 1 5.251 0.000 . . . . . . . 155 A HA . 51834 1 141 . 1 . 1 37 37 ALA HB1 H 1 1.352 0.000 . . . . . . . 155 A HB# . 51834 1 142 . 1 . 1 37 37 ALA HB2 H 1 1.352 0.000 . . . . . . . 155 A HB# . 51834 1 143 . 1 . 1 37 37 ALA HB3 H 1 1.352 0.000 . . . . . . . 155 A HB# . 51834 1 144 . 1 . 1 37 37 ALA CA C 13 50.286 0.000 . . . . . . . 155 A CA . 51834 1 145 . 1 . 1 37 37 ALA CB C 13 24.697 0.000 . . . . . . . 155 A CB . 51834 1 146 . 1 . 1 37 37 ALA N N 15 121.617 0.000 . . . . . . . 155 A N . 51834 1 147 . 1 . 1 38 38 THR H H 1 8.772 0.000 . . . . . . . 156 T H . 51834 1 148 . 1 . 1 38 38 THR HA H 1 4.043 0.000 . . . . . . . 156 T HA . 51834 1 149 . 1 . 1 38 38 THR HB H 1 5.017 0.000 . . . . . . . 156 T HB . 51834 1 150 . 1 . 1 38 38 THR HG21 H 1 1.244 0.000 . . . . . . . 156 T QG2 . 51834 1 151 . 1 . 1 38 38 THR HG22 H 1 1.244 0.000 . . . . . . . 156 T QG2 . 51834 1 152 . 1 . 1 38 38 THR HG23 H 1 1.244 0.000 . . . . . . . 156 T QG2 . 51834 1 153 . 1 . 1 38 38 THR CA C 13 59.928 0.000 . . . . . . . 156 T CA . 51834 1 154 . 1 . 1 38 38 THR CB C 13 70.316 0.000 . . . . . . . 156 T CB . 51834 1 155 . 1 . 1 38 38 THR CG2 C 13 18.992 0.000 . . . . . . . 156 T CG2 . 51834 1 156 . 1 . 1 38 38 THR N N 15 112.816 0.000 . . . . . . . 156 T N . 51834 1 157 . 1 . 1 39 39 THR H H 1 8.463 0.000 . . . . . . . 157 T H . 51834 1 158 . 1 . 1 39 39 THR HA H 1 5.307 0.000 . . . . . . . 157 T HA . 51834 1 159 . 1 . 1 39 39 THR HB H 1 4.912 0.000 . . . . . . . 157 T HB . 51834 1 160 . 1 . 1 39 39 THR CA C 13 59.564 0.000 . . . . . . . 157 T CA . 51834 1 161 . 1 . 1 39 39 THR CB C 13 72.929 0.000 . . . . . . . 157 T CB . 51834 1 162 . 1 . 1 39 39 THR N N 15 110.637 0.000 . . . . . . . 157 T N . 51834 1 163 . 1 . 1 40 40 ALA H H 1 9.920 0.000 . . . . . . . 158 A H . 51834 1 164 . 1 . 1 40 40 ALA HA H 1 3.938 0.000 . . . . . . . 158 A HA . 51834 1 165 . 1 . 1 40 40 ALA HB1 H 1 1.479 0.000 . . . . . . . 158 A HB# . 51834 1 166 . 1 . 1 40 40 ALA HB2 H 1 1.479 0.000 . . . . . . . 158 A HB# . 51834 1 167 . 1 . 1 40 40 ALA HB3 H 1 1.479 0.000 . . . . . . . 158 A HB# . 51834 1 168 . 1 . 1 40 40 ALA CA C 13 55.554 0.000 . . . . . . . 158 A CA . 51834 1 169 . 1 . 1 40 40 ALA CB C 13 18.312 0.000 . . . . . . . 158 A CB . 51834 1 170 . 1 . 1 40 40 ALA N N 15 123.880 0.000 . . . . . . . 158 A N . 51834 1 171 . 1 . 1 41 41 HIS H H 1 8.732 0.000 . . . . . . . 159 H H . 51834 1 172 . 1 . 1 41 41 HIS HA H 1 4.076 0.000 . . . . . . . 159 H HA . 51834 1 173 . 1 . 1 41 41 HIS HB2 H 1 3.334 0.000 . . . . . . . 159 H HB2 . 51834 1 174 . 1 . 1 41 41 HIS HB3 H 1 3.172 0.000 . . . . . . . 159 H HB3 . 51834 1 175 . 1 . 1 41 41 HIS CA C 13 60.451 0.000 . . . . . . . 159 H CA . 51834 1 176 . 1 . 1 41 41 HIS CB C 13 31.041 0.000 . . . . . . . 159 H CB . 51834 1 177 . 1 . 1 41 41 HIS N N 15 117.505 0.000 . . . . . . . 159 H N . 51834 1 178 . 1 . 1 42 42 ASP H H 1 8.142 0.000 . . . . . . . 160 D H . 51834 1 179 . 1 . 1 42 42 ASP HA H 1 4.330 0.000 . . . . . . . 160 D HA . 51834 1 180 . 1 . 1 42 42 ASP HB2 H 1 2.778 0.000 . . . . . . . 160 D HB2 . 51834 1 181 . 1 . 1 42 42 ASP HB3 H 1 2.905 0.000 . . . . . . . 160 D HB3 . 51834 1 182 . 1 . 1 42 42 ASP CA C 13 57.571 0.000 . . . . . . . 160 D CA . 51834 1 183 . 1 . 1 42 42 ASP CB C 13 40.933 0.000 . . . . . . . 160 D CB . 51834 1 184 . 1 . 1 42 42 ASP N N 15 121.689 0.000 . . . . . . . 160 D N . 51834 1 185 . 1 . 1 43 43 LEU H H 1 7.822 0.000 . . . . . . . 161 L H . 51834 1 186 . 1 . 1 43 43 LEU HA H 1 3.480 0.000 . . . . . . . 161 L HA . 51834 1 187 . 1 . 1 43 43 LEU HB2 H 1 1.902 0.000 . . . . . . . 161 L HB2 . 51834 1 188 . 1 . 1 43 43 LEU HB3 H 1 1.050 0.000 . . . . . . . 161 L HB3 . 51834 1 189 . 1 . 1 43 43 LEU CA C 13 58.030 0.000 . . . . . . . 161 L CA . 51834 1 190 . 1 . 1 43 43 LEU CB C 13 43.205 0.000 . . . . . . . 161 L CB . 51834 1 191 . 1 . 1 43 43 LEU N N 15 118.821 0.000 . . . . . . . 161 L N . 51834 1 192 . 1 . 1 44 44 SER H H 1 8.315 0.000 . . . . . . . 162 S H . 51834 1 193 . 1 . 1 44 44 SER HA H 1 3.983 0.000 . . . . . . . 162 S HA . 51834 1 194 . 1 . 1 44 44 SER CA C 13 60.974 0.000 . . . . . . . 162 S CA . 51834 1 195 . 1 . 1 44 44 SER CB C 13 63.261 0.000 . . . . . . . 162 S CB . 51834 1 196 . 1 . 1 44 44 SER N N 15 113.007 0.000 . . . . . . . 162 S N . 51834 1 197 . 1 . 1 45 45 GLY H H 1 7.532 0.000 . . . . . . . 163 G H . 51834 1 198 . 1 . 1 45 45 GLY HA2 H 1 3.915 0.000 . . . . . . . 163 G HA2 . 51834 1 199 . 1 . 1 45 45 GLY CA C 13 46.935 0.000 . . . . . . . 163 G CA . 51834 1 200 . 1 . 1 45 45 GLY N N 15 106.312 0.000 . . . . . . . 163 G N . 51834 1 201 . 1 . 1 46 46 LYS H H 1 7.790 0.000 . . . . . . . 164 K H . 51834 1 202 . 1 . 1 46 46 LYS HA H 1 4.109 0.000 . . . . . . . 164 K HA . 51834 1 203 . 1 . 1 46 46 LYS HB2 H 1 1.601 0.000 . . . . . . . 164 K HB2 . 51834 1 204 . 1 . 1 46 46 LYS HB3 H 1 1.647 0.000 . . . . . . . 164 K HB3 . 51834 1 205 . 1 . 1 46 46 LYS HG2 H 1 1.486 0.000 . . . . . . . 164 K HG2 . 51834 1 206 . 1 . 1 46 46 LYS HG3 H 1 1.444 0.000 . . . . . . . 164 K HG3 . 51834 1 207 . 1 . 1 46 46 LYS HD2 H 1 1.645 0.000 . . . . . . . 164 K HD2 . 51834 1 208 . 1 . 1 46 46 LYS HD3 H 1 1.694 0.000 . . . . . . . 164 K HD3 . 51834 1 209 . 1 . 1 46 46 LYS HE2 H 1 3.086 0.000 . . . . . . . 164 K HE2 . 51834 1 210 . 1 . 1 46 46 LYS HE3 H 1 3.059 0.000 . . . . . . . 164 K HE3 . 51834 1 211 . 1 . 1 46 46 LYS CA C 13 57.783 0.000 . . . . . . . 164 K CA . 51834 1 212 . 1 . 1 46 46 LYS CB C 13 32.790 0.000 . . . . . . . 164 K CB . 51834 1 213 . 1 . 1 46 46 LYS CG C 13 24.938 0.000 . . . . . . . 164 K CG . 51834 1 214 . 1 . 1 46 46 LYS CD C 13 28.431 0.000 . . . . . . . 164 K CD . 51834 1 215 . 1 . 1 46 46 LYS CE C 13 42.364 0.000 . . . . . . . 164 K CE . 51834 1 216 . 1 . 1 46 46 LYS N N 15 120.303 0.000 . . . . . . . 164 K N . 51834 1 217 . 1 . 1 47 47 LEU H H 1 8.262 0.000 . . . . . . . 165 L H . 51834 1 218 . 1 . 1 47 47 LEU HA H 1 4.390 0.000 . . . . . . . 165 L HA . 51834 1 219 . 1 . 1 47 47 LEU HB2 H 1 1.524 0.000 . . . . . . . 165 L HB2 . 51834 1 220 . 1 . 1 47 47 LEU HD11 H 1 0.591 0.000 . . . . . . . 165 L QD1 . 51834 1 221 . 1 . 1 47 47 LEU HD12 H 1 0.591 0.000 . . . . . . . 165 L QD1 . 51834 1 222 . 1 . 1 47 47 LEU HD13 H 1 0.591 0.000 . . . . . . . 165 L QD1 . 51834 1 223 . 1 . 1 47 47 LEU HD21 H 1 0.694 0.000 . . . . . . . 165 L QD2 . 51834 1 224 . 1 . 1 47 47 LEU HD22 H 1 0.694 0.000 . . . . . . . 165 L QD2 . 51834 1 225 . 1 . 1 47 47 LEU HD23 H 1 0.694 0.000 . . . . . . . 165 L QD2 . 51834 1 226 . 1 . 1 47 47 LEU CA C 13 55.032 0.000 . . . . . . . 165 L CA . 51834 1 227 . 1 . 1 47 47 LEU CB C 13 41.275 0.000 . . . . . . . 165 L CB . 51834 1 228 . 1 . 1 47 47 LEU CD1 C 13 23.376 0.000 . . . . . . . 165 L CD1 . 51834 1 229 . 1 . 1 47 47 LEU CD2 C 13 23.477 0.000 . . . . . . . 165 L CD2 . 51834 1 230 . 1 . 1 47 47 LEU N N 15 115.505 0.000 . . . . . . . 165 L N . 51834 1 231 . 1 . 1 48 48 GLY H H 1 7.675 0.000 . . . . . . . 166 G H . 51834 1 232 . 1 . 1 48 48 GLY HA2 H 1 3.964 0.000 . . . . . . . 166 G HA2 . 51834 1 233 . 1 . 1 48 48 GLY HA3 H 1 3.908 0.000 . . . . . . . 166 G HA3 . 51834 1 234 . 1 . 1 48 48 GLY CA C 13 47.469 0.000 . . . . . . . 166 G CA . 51834 1 235 . 1 . 1 48 48 GLY N N 15 111.057 0.000 . . . . . . . 166 G N . 51834 1 236 . 1 . 1 49 49 THR H H 1 7.438 0.000 . . . . . . . 167 T H . 51834 1 237 . 1 . 1 49 49 THR CA C 13 59.805 0.000 . . . . . . . 167 T CA . 51834 1 238 . 1 . 1 49 49 THR CB C 13 73.739 0.000 . . . . . . . 167 T CB . 51834 1 239 . 1 . 1 49 49 THR N N 15 115.382 0.000 . . . . . . . 167 T N . 51834 1 240 . 1 . 1 50 50 PRO HA H 1 4.433 0.000 . . . . . . . 168 P HA . 51834 1 241 . 1 . 1 50 50 PRO HB2 H 1 2.600 0.000 . . . . . . . 168 P HB2 . 51834 1 242 . 1 . 1 50 50 PRO HB3 H 1 1.922 0.000 . . . . . . . 168 P HB3 . 51834 1 243 . 1 . 1 50 50 PRO CA C 13 63.355 0.000 . . . . . . . 168 P CA . 51834 1 244 . 1 . 1 50 50 PRO CB C 13 33.172 0.000 . . . . . . . 168 P CB . 51834 1 245 . 1 . 1 51 51 LYS H H 1 8.909 0.000 . . . . . . . 169 K H . 51834 1 246 . 1 . 1 51 51 LYS HA H 1 3.635 0.000 . . . . . . . 169 K HA . 51834 1 247 . 1 . 1 51 51 LYS HB2 H 1 1.923 0.000 . . . . . . . 169 K HB2 . 51834 1 248 . 1 . 1 51 51 LYS CA C 13 61.039 0.000 . . . . . . . 169 K CA . 51834 1 249 . 1 . 1 51 51 LYS CB C 13 32.320 0.000 . . . . . . . 169 K CB . 51834 1 250 . 1 . 1 51 51 LYS N N 15 126.239 0.000 . . . . . . . 169 K N . 51834 1 251 . 1 . 1 52 52 LYS H H 1 8.801 0.000 . . . . . . . 170 K H . 51834 1 252 . 1 . 1 52 52 LYS HA H 1 4.134 0.000 . . . . . . . 170 K HA . 51834 1 253 . 1 . 1 52 52 LYS HB2 H 1 1.888 0.000 . . . . . . . 170 K HB2 . 51834 1 254 . 1 . 1 52 52 LYS CA C 13 60.202 0.000 . . . . . . . 170 K CA . 51834 1 255 . 1 . 1 52 52 LYS CB C 13 32.516 0.000 . . . . . . . 170 K CB . 51834 1 256 . 1 . 1 52 52 LYS N N 15 117.483 0.000 . . . . . . . 170 K N . 51834 1 257 . 1 . 1 53 53 GLU H H 1 6.969 0.000 . . . . . . . 171 E H . 51834 1 258 . 1 . 1 53 53 GLU HA H 1 4.260 0.000 . . . . . . . 171 E HA . 51834 1 259 . 1 . 1 53 53 GLU HB2 H 1 1.995 0.000 . . . . . . . 171 E HB2 . 51834 1 260 . 1 . 1 53 53 GLU CA C 13 58.058 0.000 . . . . . . . 171 E CA . 51834 1 261 . 1 . 1 53 53 GLU CB C 13 29.386 0.000 . . . . . . . 171 E CB . 51834 1 262 . 1 . 1 53 53 GLU N N 15 118.806 0.000 . . . . . . . 171 E N . 51834 1 263 . 1 . 1 54 54 ILE H H 1 7.578 0.000 . . . . . . . 172 I H . 51834 1 264 . 1 . 1 54 54 ILE HA H 1 3.499 0.000 . . . . . . . 172 I HA . 51834 1 265 . 1 . 1 54 54 ILE HB H 1 2.101 0.000 . . . . . . . 172 I HB . 51834 1 266 . 1 . 1 54 54 ILE HG12 H 1 1.060 0.000 . . . . . . . 172 I HG12 . 51834 1 267 . 1 . 1 54 54 ILE HG13 H 1 1.041 0.000 . . . . . . . 172 I HG13 . 51834 1 268 . 1 . 1 54 54 ILE HG21 H 1 0.768 0.000 . . . . . . . 172 I QG2 . 51834 1 269 . 1 . 1 54 54 ILE HG22 H 1 0.768 0.000 . . . . . . . 172 I QG2 . 51834 1 270 . 1 . 1 54 54 ILE HG23 H 1 0.768 0.000 . . . . . . . 172 I QG2 . 51834 1 271 . 1 . 1 54 54 ILE HD11 H 1 0.540 0.000 . . . . . . . 172 I QD1 . 51834 1 272 . 1 . 1 54 54 ILE HD12 H 1 0.540 0.000 . . . . . . . 172 I QD1 . 51834 1 273 . 1 . 1 54 54 ILE HD13 H 1 0.540 0.000 . . . . . . . 172 I QD1 . 51834 1 274 . 1 . 1 54 54 ILE CA C 13 62.395 0.000 . . . . . . . 172 I CA . 51834 1 275 . 1 . 1 54 54 ILE CB C 13 35.857 0.000 . . . . . . . 172 I CB . 51834 1 276 . 1 . 1 54 54 ILE CG1 C 13 27.273 0.000 . . . . . . . 172 I CG1 . 51834 1 277 . 1 . 1 54 54 ILE CG2 C 13 18.156 0.000 . . . . . . . 172 I CG2 . 51834 1 278 . 1 . 1 54 54 ILE CD1 C 13 10.417 0.000 . . . . . . . 172 I CD1 . 51834 1 279 . 1 . 1 54 54 ILE N N 15 118.930 0.000 . . . . . . . 172 I N . 51834 1 280 . 1 . 1 55 55 ASN H H 1 8.681 0.000 . . . . . . . 173 N H . 51834 1 281 . 1 . 1 55 55 ASN HA H 1 4.341 0.000 . . . . . . . 173 N HA . 51834 1 282 . 1 . 1 55 55 ASN HB2 H 1 2.719 0.000 . . . . . . . 173 N HB2 . 51834 1 283 . 1 . 1 55 55 ASN HD21 H 1 7.347 0.000 . . . . . . . 173 N HD21 . 51834 1 284 . 1 . 1 55 55 ASN HD22 H 1 6.874 0.000 . . . . . . . 173 N HD22 . 51834 1 285 . 1 . 1 55 55 ASN CA C 13 56.244 0.000 . . . . . . . 173 N CA . 51834 1 286 . 1 . 1 55 55 ASN CB C 13 38.231 0.000 . . . . . . . 173 N CB . 51834 1 287 . 1 . 1 55 55 ASN N N 15 116.818 0.000 . . . . . . . 173 N N . 51834 1 288 . 1 . 1 55 55 ASN ND2 N 15 109.959 0.000 . . . . . . . 173 N ND2 . 51834 1 289 . 1 . 1 56 56 ARG H H 1 7.298 0.000 . . . . . . . 174 R H . 51834 1 290 . 1 . 1 56 56 ARG HA H 1 4.033 0.000 . . . . . . . 174 R HA . 51834 1 291 . 1 . 1 56 56 ARG HB2 H 1 2.044 0.000 . . . . . . . 174 R HB2 . 51834 1 292 . 1 . 1 56 56 ARG HD2 H 1 3.339 0.000 . . . . . . . 174 R HD2 . 51834 1 293 . 1 . 1 56 56 ARG HD3 H 1 3.335 0.000 . . . . . . . 174 R HD3 . 51834 1 294 . 1 . 1 56 56 ARG CA C 13 60.074 0.000 . . . . . . . 174 R CA . 51834 1 295 . 1 . 1 56 56 ARG CB C 13 30.114 0.000 . . . . . . . 174 R CB . 51834 1 296 . 1 . 1 56 56 ARG N N 15 118.664 0.000 . . . . . . . 174 R N . 51834 1 297 . 1 . 1 57 57 VAL H H 1 7.555 0.000 . . . . . . . 175 V H . 51834 1 298 . 1 . 1 57 57 VAL HA H 1 3.747 0.000 . . . . . . . 175 V HA . 51834 1 299 . 1 . 1 57 57 VAL HB H 1 1.952 0.000 . . . . . . . 175 V HB . 51834 1 300 . 1 . 1 57 57 VAL HG11 H 1 1.021 0.000 . . . . . . . 175 V QG1 . 51834 1 301 . 1 . 1 57 57 VAL HG12 H 1 1.021 0.000 . . . . . . . 175 V QG1 . 51834 1 302 . 1 . 1 57 57 VAL HG13 H 1 1.021 0.000 . . . . . . . 175 V QG1 . 51834 1 303 . 1 . 1 57 57 VAL CA C 13 66.133 0.000 . . . . . . . 175 V CA . 51834 1 304 . 1 . 1 57 57 VAL CB C 13 31.490 0.000 . . . . . . . 175 V CB . 51834 1 305 . 1 . 1 57 57 VAL N N 15 120.413 0.000 . . . . . . . 175 V N . 51834 1 306 . 1 . 1 58 58 LEU H H 1 8.566 0.000 . . . . . . . 176 L H . 51834 1 307 . 1 . 1 58 58 LEU HA H 1 3.413 0.000 . . . . . . . 176 L HA . 51834 1 308 . 1 . 1 58 58 LEU HB2 H 1 0.983 0.000 . . . . . . . 176 L HB2 . 51834 1 309 . 1 . 1 58 58 LEU HG H 1 1.305 0.000 . . . . . . . 176 L HG . 51834 1 310 . 1 . 1 58 58 LEU HD21 H 1 -0.035 0.000 . . . . . . . 176 L QD2 . 51834 1 311 . 1 . 1 58 58 LEU HD22 H 1 -0.035 0.000 . . . . . . . 176 L QD2 . 51834 1 312 . 1 . 1 58 58 LEU HD23 H 1 -0.035 0.000 . . . . . . . 176 L QD2 . 51834 1 313 . 1 . 1 58 58 LEU CA C 13 58.375 0.000 . . . . . . . 176 L CA . 51834 1 314 . 1 . 1 58 58 LEU CB C 13 38.901 0.000 . . . . . . . 176 L CB . 51834 1 315 . 1 . 1 58 58 LEU CG C 13 25.200 0.000 . . . . . . . 176 L CG . 51834 1 316 . 1 . 1 58 58 LEU CD1 C 13 24.300 0.000 . . . . . . . 176 L CD1 . 51834 1 317 . 1 . 1 58 58 LEU CD2 C 13 24.198 0.000 . . . . . . . 176 L CD2 . 51834 1 318 . 1 . 1 58 58 LEU N N 15 121.824 0.000 . . . . . . . 176 L N . 51834 1 319 . 1 . 1 59 59 TYR H H 1 8.048 0.000 . . . . . . . 177 Y H . 51834 1 320 . 1 . 1 59 59 TYR HA H 1 4.259 0.000 . . . . . . . 177 Y HA . 51834 1 321 . 1 . 1 59 59 TYR HB2 H 1 3.147 0.000 . . . . . . . 177 Y HB2 . 51834 1 322 . 1 . 1 59 59 TYR CA C 13 62.617 0.000 . . . . . . . 177 Y CA . 51834 1 323 . 1 . 1 59 59 TYR CB C 13 37.583 0.000 . . . . . . . 177 Y CB . 51834 1 324 . 1 . 1 59 59 TYR N N 15 115.492 0.000 . . . . . . . 177 Y N . 51834 1 325 . 1 . 1 60 60 SER H H 1 7.695 0.000 . . . . . . . 178 S H . 51834 1 326 . 1 . 1 60 60 SER HA H 1 4.359 0.000 . . . . . . . 178 S HA . 51834 1 327 . 1 . 1 60 60 SER HB2 H 1 4.094 0.000 . . . . . . . 178 S HB2 . 51834 1 328 . 1 . 1 60 60 SER HB3 H 1 4.175 0.000 . . . . . . . 178 S HB3 . 51834 1 329 . 1 . 1 60 60 SER CA C 13 61.582 0.000 . . . . . . . 178 S CA . 51834 1 330 . 1 . 1 60 60 SER CB C 13 63.039 0.000 . . . . . . . 178 S CB . 51834 1 331 . 1 . 1 60 60 SER N N 15 116.175 0.000 . . . . . . . 178 S N . 51834 1 332 . 1 . 1 61 61 LEU H H 1 8.573 0.000 . . . . . . . 179 L H . 51834 1 333 . 1 . 1 61 61 LEU HA H 1 4.006 0.000 . . . . . . . 179 L HA . 51834 1 334 . 1 . 1 61 61 LEU HB2 H 1 2.184 0.000 . . . . . . . 179 L HB2 . 51834 1 335 . 1 . 1 61 61 LEU HB3 H 1 1.202 0.000 . . . . . . . 179 L HB3 . 51834 1 336 . 1 . 1 61 61 LEU HG H 1 1.186 0.000 . . . . . . . 179 L HG . 51834 1 337 . 1 . 1 61 61 LEU HD11 H 1 -0.096 0.000 . . . . . . . 179 L QD1 . 51834 1 338 . 1 . 1 61 61 LEU HD12 H 1 -0.096 0.000 . . . . . . . 179 L QD1 . 51834 1 339 . 1 . 1 61 61 LEU HD13 H 1 -0.096 0.000 . . . . . . . 179 L QD1 . 51834 1 340 . 1 . 1 61 61 LEU HD21 H 1 0.466 0.000 . . . . . . . 179 L QD2 . 51834 1 341 . 1 . 1 61 61 LEU HD22 H 1 0.466 0.000 . . . . . . . 179 L QD2 . 51834 1 342 . 1 . 1 61 61 LEU HD23 H 1 0.466 0.000 . . . . . . . 179 L QD2 . 51834 1 343 . 1 . 1 61 61 LEU CA C 13 57.718 0.000 . . . . . . . 179 L CA . 51834 1 344 . 1 . 1 61 61 LEU CB C 13 42.660 0.000 . . . . . . . 179 L CB . 51834 1 345 . 1 . 1 61 61 LEU CG C 13 29.346 0.000 . . . . . . . 179 L CG . 51834 1 346 . 1 . 1 61 61 LEU CD1 C 13 23.868 0.000 . . . . . . . 179 L CD1 . 51834 1 347 . 1 . 1 61 61 LEU CD2 C 13 23.868 0.000 . . . . . . . 179 L CD2 . 51834 1 348 . 1 . 1 61 61 LEU N N 15 121.290 0.000 . . . . . . . 179 L N . 51834 1 349 . 1 . 1 62 62 ALA H H 1 8.768 0.000 . . . . . . . 180 A H . 51834 1 350 . 1 . 1 62 62 ALA HA H 1 4.603 0.000 . . . . . . . 180 A HA . 51834 1 351 . 1 . 1 62 62 ALA HB1 H 1 1.756 0.000 . . . . . . . 180 A HB# . 51834 1 352 . 1 . 1 62 62 ALA HB2 H 1 1.756 0.000 . . . . . . . 180 A HB# . 51834 1 353 . 1 . 1 62 62 ALA HB3 H 1 1.756 0.000 . . . . . . . 180 A HB# . 51834 1 354 . 1 . 1 62 62 ALA CA C 13 55.224 0.000 . . . . . . . 180 A CA . 51834 1 355 . 1 . 1 62 62 ALA CB C 13 18.058 0.000 . . . . . . . 180 A CB . 51834 1 356 . 1 . 1 62 62 ALA N N 15 123.811 0.000 . . . . . . . 180 A N . 51834 1 357 . 1 . 1 63 63 LYS H H 1 8.152 0.000 . . . . . . . 181 K H . 51834 1 358 . 1 . 1 63 63 LYS HA H 1 4.187 0.000 . . . . . . . 181 K HA . 51834 1 359 . 1 . 1 63 63 LYS HB2 H 1 2.106 0.000 . . . . . . . 181 K HB2 . 51834 1 360 . 1 . 1 63 63 LYS HG2 H 1 1.561 0.000 . . . . . . . 181 K HG2 . 51834 1 361 . 1 . 1 63 63 LYS HG3 H 1 1.559 0.000 . . . . . . . 181 K HG3 . 51834 1 362 . 1 . 1 63 63 LYS HD2 H 1 1.788 0.000 . . . . . . . 181 K HD2 . 51834 1 363 . 1 . 1 63 63 LYS HD3 H 1 1.802 0.000 . . . . . . . 181 K HD3 . 51834 1 364 . 1 . 1 63 63 LYS HE2 H 1 3.063 0.000 . . . . . . . 181 K HE2 . 51834 1 365 . 1 . 1 63 63 LYS HE3 H 1 3.069 0.000 . . . . . . . 181 K HE3 . 51834 1 366 . 1 . 1 63 63 LYS CA C 13 59.427 0.000 . . . . . . . 181 K CA . 51834 1 367 . 1 . 1 63 63 LYS CB C 13 32.074 0.000 . . . . . . . 181 K CB . 51834 1 368 . 1 . 1 63 63 LYS CG C 13 25.021 0.000 . . . . . . . 181 K CG . 51834 1 369 . 1 . 1 63 63 LYS CD C 13 29.570 0.000 . . . . . . . 181 K CD . 51834 1 370 . 1 . 1 63 63 LYS CE C 13 42.338 0.000 . . . . . . . 181 K CE . 51834 1 371 . 1 . 1 63 63 LYS N N 15 122.231 0.000 . . . . . . . 181 K N . 51834 1 372 . 1 . 1 64 64 LYS H H 1 7.523 0.000 . . . . . . . 182 K H . 51834 1 373 . 1 . 1 64 64 LYS HA H 1 4.414 0.000 . . . . . . . 182 K HA . 51834 1 374 . 1 . 1 64 64 LYS HB2 H 1 1.885 0.000 . . . . . . . 182 K HB2 . 51834 1 375 . 1 . 1 64 64 LYS HB3 H 1 2.143 0.000 . . . . . . . 182 K HB3 . 51834 1 376 . 1 . 1 64 64 LYS HG2 H 1 1.611 0.000 . . . . . . . 182 K HG2 . 51834 1 377 . 1 . 1 64 64 LYS HG3 H 1 1.594 0.000 . . . . . . . 182 K HG3 . 51834 1 378 . 1 . 1 64 64 LYS HD2 H 1 1.601 0.000 . . . . . . . 182 K HD2 . 51834 1 379 . 1 . 1 64 64 LYS HD3 H 1 1.774 0.000 . . . . . . . 182 K HD3 . 51834 1 380 . 1 . 1 64 64 LYS HE2 H 1 2.958 0.000 . . . . . . . 182 K HE2 . 51834 1 381 . 1 . 1 64 64 LYS HE3 H 1 2.985 0.000 . . . . . . . 182 K HE3 . 51834 1 382 . 1 . 1 64 64 LYS CA C 13 56.994 0.000 . . . . . . . 182 K CA . 51834 1 383 . 1 . 1 64 64 LYS CB C 13 33.754 0.000 . . . . . . . 182 K CB . 51834 1 384 . 1 . 1 64 64 LYS CD C 13 26.027 0.000 . . . . . . . 182 K CD . 51834 1 385 . 1 . 1 64 64 LYS CE C 13 42.259 0.000 . . . . . . . 182 K CE . 51834 1 386 . 1 . 1 64 64 LYS N N 15 115.566 0.000 . . . . . . . 182 K N . 51834 1 387 . 1 . 1 65 65 GLY H H 1 7.954 0.000 . . . . . . . 183 G H . 51834 1 388 . 1 . 1 65 65 GLY HA2 H 1 4.233 0.000 . . . . . . . 183 G HA2 . 51834 1 389 . 1 . 1 65 65 GLY CA C 13 45.753 0.000 . . . . . . . 183 G CA . 51834 1 390 . 1 . 1 65 65 GLY N N 15 107.411 0.000 . . . . . . . 183 G N . 51834 1 391 . 1 . 1 66 66 LYS H H 1 7.974 0.000 . . . . . . . 184 K H . 51834 1 392 . 1 . 1 66 66 LYS HA H 1 4.491 0.000 . . . . . . . 184 K HA . 51834 1 393 . 1 . 1 66 66 LYS HB2 H 1 1.899 0.000 . . . . . . . 184 K HB2 . 51834 1 394 . 1 . 1 66 66 LYS HD2 H 1 2.151 0.000 . . . . . . . 184 K HD2 . 51834 1 395 . 1 . 1 66 66 LYS CA C 13 56.593 0.000 . . . . . . . 184 K CA . 51834 1 396 . 1 . 1 66 66 LYS CB C 13 33.607 0.000 . . . . . . . 184 K CB . 51834 1 397 . 1 . 1 66 66 LYS N N 15 115.562 0.000 . . . . . . . 184 K N . 51834 1 398 . 1 . 1 67 67 LEU H H 1 6.867 0.000 . . . . . . . 185 L H . 51834 1 399 . 1 . 1 67 67 LEU HA H 1 5.240 0.000 . . . . . . . 185 L HA . 51834 1 400 . 1 . 1 67 67 LEU HB2 H 1 1.830 0.000 . . . . . . . 185 L HB2 . 51834 1 401 . 1 . 1 67 67 LEU HB3 H 1 1.473 0.000 . . . . . . . 185 L HB3 . 51834 1 402 . 1 . 1 67 67 LEU HD11 H 1 0.808 0.000 . . . . . . . 185 L QD1 . 51834 1 403 . 1 . 1 67 67 LEU HD12 H 1 0.808 0.000 . . . . . . . 185 L QD1 . 51834 1 404 . 1 . 1 67 67 LEU HD13 H 1 0.808 0.000 . . . . . . . 185 L QD1 . 51834 1 405 . 1 . 1 67 67 LEU HD21 H 1 0.891 0.000 . . . . . . . 185 L QD2 . 51834 1 406 . 1 . 1 67 67 LEU HD22 H 1 0.891 0.000 . . . . . . . 185 L QD2 . 51834 1 407 . 1 . 1 67 67 LEU HD23 H 1 0.891 0.000 . . . . . . . 185 L QD2 . 51834 1 408 . 1 . 1 67 67 LEU CA C 13 52.616 0.000 . . . . . . . 185 L CA . 51834 1 409 . 1 . 1 67 67 LEU CB C 13 47.042 0.000 . . . . . . . 185 L CB . 51834 1 410 . 1 . 1 67 67 LEU CD1 C 13 25.563 0.000 . . . . . . . 185 L CD1 . 51834 1 411 . 1 . 1 67 67 LEU CD2 C 13 25.447 0.000 . . . . . . . 185 L CD2 . 51834 1 412 . 1 . 1 67 67 LEU N N 15 114.064 0.000 . . . . . . . 185 L N . 51834 1 413 . 1 . 1 68 68 GLN H H 1 9.228 0.000 . . . . . . . 186 Q H . 51834 1 414 . 1 . 1 68 68 GLN HA H 1 4.654 0.000 . . . . . . . 186 Q HA . 51834 1 415 . 1 . 1 68 68 GLN HB2 H 1 1.890 0.000 . . . . . . . 186 Q HB2 . 51834 1 416 . 1 . 1 68 68 GLN HG2 H 1 2.152 0.000 . . . . . . . 186 Q HG2 . 51834 1 417 . 1 . 1 68 68 GLN HG3 H 1 2.208 0.000 . . . . . . . 186 Q HG3 . 51834 1 418 . 1 . 1 68 68 GLN HE21 H 1 6.853 0.000 . . . . . . . 186 Q HE21 . 51834 1 419 . 1 . 1 68 68 GLN HE22 H 1 7.625 0.000 . . . . . . . 186 Q HE22 . 51834 1 420 . 1 . 1 68 68 GLN CA C 13 54.476 0.000 . . . . . . . 186 Q CA . 51834 1 421 . 1 . 1 68 68 GLN CB C 13 32.713 0.000 . . . . . . . 186 Q CB . 51834 1 422 . 1 . 1 68 68 GLN N N 15 118.834 0.000 . . . . . . . 186 Q N . 51834 1 423 . 1 . 1 68 68 GLN NE2 N 15 112.580 0.000 . . . . . . . 186 Q NE2 . 51834 1 424 . 1 . 1 69 69 LYS H H 1 8.272 0.000 . . . . . . . 187 K H . 51834 1 425 . 1 . 1 69 69 LYS HA H 1 4.292 0.000 . . . . . . . 187 K HA . 51834 1 426 . 1 . 1 69 69 LYS HB3 H 1 0.964 0.000 . . . . . . . 187 K HB3 . 51834 1 427 . 1 . 1 69 69 LYS CA C 13 54.262 0.000 . . . . . . . 187 K CA . 51834 1 428 . 1 . 1 69 69 LYS CB C 13 34.143 0.000 . . . . . . . 187 K CB . 51834 1 429 . 1 . 1 69 69 LYS N N 15 124.013 0.000 . . . . . . . 187 K N . 51834 1 430 . 1 . 1 70 70 GLU H H 1 8.921 0.000 . . . . . . . 188 E H . 51834 1 431 . 1 . 1 70 70 GLU HA H 1 4.445 0.000 . . . . . . . 188 E HA . 51834 1 432 . 1 . 1 70 70 GLU HB2 H 1 1.946 0.000 . . . . . . . 188 E HB2 . 51834 1 433 . 1 . 1 70 70 GLU HB3 H 1 1.732 0.000 . . . . . . . 188 E HB3 . 51834 1 434 . 1 . 1 70 70 GLU CA C 13 54.733 0.000 . . . . . . . 188 E CA . 51834 1 435 . 1 . 1 70 70 GLU CB C 13 31.428 0.000 . . . . . . . 188 E CB . 51834 1 436 . 1 . 1 70 70 GLU N N 15 127.932 0.000 . . . . . . . 188 E N . 51834 1 437 . 1 . 1 71 71 ALA H H 1 8.309 0.000 . . . . . . . 189 A H . 51834 1 438 . 1 . 1 71 71 ALA HA H 1 4.089 0.000 . . . . . . . 189 A HA . 51834 1 439 . 1 . 1 71 71 ALA HB1 H 1 1.381 0.000 . . . . . . . 189 A HB# . 51834 1 440 . 1 . 1 71 71 ALA HB2 H 1 1.381 0.000 . . . . . . . 189 A HB# . 51834 1 441 . 1 . 1 71 71 ALA HB3 H 1 1.381 0.000 . . . . . . . 189 A HB# . 51834 1 442 . 1 . 1 71 71 ALA CA C 13 52.934 0.000 . . . . . . . 189 A CA . 51834 1 443 . 1 . 1 71 71 ALA CB C 13 19.212 0.000 . . . . . . . 189 A CB . 51834 1 444 . 1 . 1 71 71 ALA N N 15 125.423 0.000 . . . . . . . 189 A N . 51834 1 445 . 1 . 1 72 72 GLY H H 1 7.867 0.000 . . . . . . . 190 G H . 51834 1 446 . 1 . 1 72 72 GLY HA2 H 1 4.141 0.000 . . . . . . . 190 G HA2 . 51834 1 447 . 1 . 1 72 72 GLY HA3 H 1 3.852 0.000 . . . . . . . 190 G HA3 . 51834 1 448 . 1 . 1 72 72 GLY CA C 13 44.651 0.000 . . . . . . . 190 G CA . 51834 1 449 . 1 . 1 72 72 GLY N N 15 108.150 0.000 . . . . . . . 190 G N . 51834 1 450 . 1 . 1 73 73 THR H H 1 8.164 0.000 . . . . . . . 191 T H . 51834 1 451 . 1 . 1 73 73 THR CA C 13 58.360 0.000 . . . . . . . 191 T CA . 51834 1 452 . 1 . 1 73 73 THR CB C 13 70.861 0.000 . . . . . . . 191 T CB . 51834 1 453 . 1 . 1 73 73 THR N N 15 113.789 0.000 . . . . . . . 191 T N . 51834 1 454 . 1 . 1 74 74 PRO HA H 1 4.956 0.000 . . . . . . . 192 P HA . 51834 1 455 . 1 . 1 74 74 PRO HB2 H 1 2.602 0.000 . . . . . . . 192 P HB2 . 51834 1 456 . 1 . 1 74 74 PRO HB3 H 1 2.316 0.000 . . . . . . . 192 P HB3 . 51834 1 457 . 1 . 1 74 74 PRO HG2 H 1 1.864 0.000 . . . . . . . 192 P HG2 . 51834 1 458 . 1 . 1 74 74 PRO HG3 H 1 1.880 0.000 . . . . . . . 192 P HG3 . 51834 1 459 . 1 . 1 74 74 PRO HD2 H 1 3.651 0.000 . . . . . . . 192 P HD2 . 51834 1 460 . 1 . 1 74 74 PRO HD3 H 1 3.631 0.000 . . . . . . . 192 P HD3 . 51834 1 461 . 1 . 1 74 74 PRO CA C 13 63.297 0.000 . . . . . . . 192 P CA . 51834 1 462 . 1 . 1 74 74 PRO CB C 13 35.368 0.000 . . . . . . . 192 P CB . 51834 1 463 . 1 . 1 74 74 PRO CG C 13 25.175 0.000 . . . . . . . 192 P CG . 51834 1 464 . 1 . 1 74 74 PRO CD C 13 50.124 0.000 . . . . . . . 192 P CD . 51834 1 465 . 1 . 1 75 75 ALA H H 1 8.359 0.000 . . . . . . . 193 A H . 51834 1 466 . 1 . 1 75 75 ALA HA H 1 3.994 0.000 . . . . . . . 193 A HA . 51834 1 467 . 1 . 1 75 75 ALA HB1 H 1 1.268 0.000 . . . . . . . 193 A HB# . 51834 1 468 . 1 . 1 75 75 ALA HB2 H 1 1.268 0.000 . . . . . . . 193 A HB# . 51834 1 469 . 1 . 1 75 75 ALA HB3 H 1 1.268 0.000 . . . . . . . 193 A HB# . 51834 1 470 . 1 . 1 75 75 ALA CA C 13 52.933 0.000 . . . . . . . 193 A CA . 51834 1 471 . 1 . 1 75 75 ALA CB C 13 19.366 0.000 . . . . . . . 193 A CB . 51834 1 472 . 1 . 1 75 75 ALA N N 15 121.760 0.000 . . . . . . . 193 A N . 51834 1 473 . 1 . 1 76 76 LEU H H 1 7.306 0.000 . . . . . . . 194 L H . 51834 1 474 . 1 . 1 76 76 LEU HA H 1 4.886 0.000 . . . . . . . 194 L HA . 51834 1 475 . 1 . 1 76 76 LEU HB2 H 1 1.221 0.000 . . . . . . . 194 L HB2 . 51834 1 476 . 1 . 1 76 76 LEU HB3 H 1 1.490 0.000 . . . . . . . 194 L HB3 . 51834 1 477 . 1 . 1 76 76 LEU CA C 13 53.183 0.000 . . . . . . . 194 L CA . 51834 1 478 . 1 . 1 76 76 LEU CB C 13 44.971 0.000 . . . . . . . 194 L CB . 51834 1 479 . 1 . 1 76 76 LEU N N 15 120.584 0.000 . . . . . . . 194 L N . 51834 1 480 . 1 . 1 77 77 TRP H H 1 9.006 0.000 . . . . . . . 195 W H . 51834 1 481 . 1 . 1 77 77 TRP HA H 1 5.186 0.000 . . . . . . . 195 W HA . 51834 1 482 . 1 . 1 77 77 TRP HB2 H 1 2.826 0.000 . . . . . . . 195 W HB2 . 51834 1 483 . 1 . 1 77 77 TRP HB3 H 1 2.915 0.000 . . . . . . . 195 W HB3 . 51834 1 484 . 1 . 1 77 77 TRP HE1 H 1 10.033 0.000 . . . . . . . 195 W HE1 . 51834 1 485 . 1 . 1 77 77 TRP CA C 13 56.362 0.000 . . . . . . . 195 W CA . 51834 1 486 . 1 . 1 77 77 TRP CB C 13 32.090 0.000 . . . . . . . 195 W CB . 51834 1 487 . 1 . 1 77 77 TRP N N 15 121.060 0.000 . . . . . . . 195 W N . 51834 1 488 . 1 . 1 77 77 TRP NE1 N 15 128.940 0.000 . . . . . . . 195 W NE1 . 51834 1 489 . 1 . 1 78 78 LYS H H 1 8.617 0.000 . . . . . . . 196 K H . 51834 1 490 . 1 . 1 78 78 LYS HA H 1 5.105 0.000 . . . . . . . 196 K HA . 51834 1 491 . 1 . 1 78 78 LYS HB2 H 1 1.831 0.000 . . . . . . . 196 K HB2 . 51834 1 492 . 1 . 1 78 78 LYS HG2 H 1 1.408 0.000 . . . . . . . 196 K HG2 . 51834 1 493 . 1 . 1 78 78 LYS HG3 H 1 1.420 0.000 . . . . . . . 196 K HG3 . 51834 1 494 . 1 . 1 78 78 LYS HD2 H 1 1.534 0.000 . . . . . . . 196 K HD2 . 51834 1 495 . 1 . 1 78 78 LYS HD3 H 1 1.569 0.000 . . . . . . . 196 K HD3 . 51834 1 496 . 1 . 1 78 78 LYS CA C 13 54.087 0.000 . . . . . . . 196 K CA . 51834 1 497 . 1 . 1 78 78 LYS CB C 13 37.276 0.000 . . . . . . . 196 K CB . 51834 1 498 . 1 . 1 78 78 LYS CG C 13 22.289 0.000 . . . . . . . 196 K CG . 51834 1 499 . 1 . 1 78 78 LYS CD C 13 29.997 0.000 . . . . . . . 196 K CD . 51834 1 500 . 1 . 1 78 78 LYS N N 15 116.382 0.000 . . . . . . . 196 K N . 51834 1 501 . 1 . 1 79 79 ILE H H 1 8.819 0.000 . . . . . . . 197 I H . 51834 1 502 . 1 . 1 79 79 ILE HA H 1 4.145 0.000 . . . . . . . 197 I HA . 51834 1 503 . 1 . 1 79 79 ILE HB H 1 1.857 0.000 . . . . . . . 197 I HB . 51834 1 504 . 1 . 1 79 79 ILE HG12 H 1 1.297 0.000 . . . . . . . 197 I HG12 . 51834 1 505 . 1 . 1 79 79 ILE HG13 H 1 1.053 0.000 . . . . . . . 197 I HG13 . 51834 1 506 . 1 . 1 79 79 ILE HG21 H 1 1.038 0.000 . . . . . . . 197 I QG2 . 51834 1 507 . 1 . 1 79 79 ILE HG22 H 1 1.038 0.000 . . . . . . . 197 I QG2 . 51834 1 508 . 1 . 1 79 79 ILE HG23 H 1 1.038 0.000 . . . . . . . 197 I QG2 . 51834 1 509 . 1 . 1 79 79 ILE HD11 H 1 0.983 0.000 . . . . . . . 197 I QD1 . 51834 1 510 . 1 . 1 79 79 ILE HD12 H 1 0.983 0.000 . . . . . . . 197 I QD1 . 51834 1 511 . 1 . 1 79 79 ILE HD13 H 1 0.983 0.000 . . . . . . . 197 I QD1 . 51834 1 512 . 1 . 1 79 79 ILE CA C 13 61.953 0.000 . . . . . . . 197 I CA . 51834 1 513 . 1 . 1 79 79 ILE CB C 13 38.068 0.000 . . . . . . . 197 I CB . 51834 1 514 . 1 . 1 79 79 ILE CG1 C 13 22.948 0.000 . . . . . . . 197 I CG1 . 51834 1 515 . 1 . 1 79 79 ILE CG2 C 13 17.746 0.000 . . . . . . . 197 I CG2 . 51834 1 516 . 1 . 1 79 79 ILE CD1 C 13 12.746 0.000 . . . . . . . 197 I CD1 . 51834 1 517 . 1 . 1 79 79 ILE N N 15 121.710 0.000 . . . . . . . 197 I N . 51834 1 518 . 1 . 1 80 80 ALA H H 1 7.710 0.000 . . . . . . . 198 A H . 51834 1 519 . 1 . 1 80 80 ALA HA H 1 4.331 0.000 . . . . . . . 198 A HA . 51834 1 520 . 1 . 1 80 80 ALA HB1 H 1 1.136 0.000 . . . . . . . 198 A HB# . 51834 1 521 . 1 . 1 80 80 ALA HB2 H 1 1.136 0.000 . . . . . . . 198 A HB# . 51834 1 522 . 1 . 1 80 80 ALA HB3 H 1 1.136 0.000 . . . . . . . 198 A HB# . 51834 1 523 . 1 . 1 80 80 ALA CA C 13 52.431 0.000 . . . . . . . 198 A CA . 51834 1 524 . 1 . 1 80 80 ALA CB C 13 19.273 0.000 . . . . . . . 198 A CB . 51834 1 525 . 1 . 1 80 80 ALA N N 15 128.866 0.000 . . . . . . . 198 A N . 51834 1 526 . 1 . 1 81 81 VAL H H 1 8.067 0.000 . . . . . . . 199 V H . 51834 1 527 . 1 . 1 81 81 VAL HA H 1 4.158 0.000 . . . . . . . 199 V HA . 51834 1 528 . 1 . 1 81 81 VAL HB H 1 2.077 0.000 . . . . . . . 199 V HB . 51834 1 529 . 1 . 1 81 81 VAL CA C 13 62.064 0.000 . . . . . . . 199 V CA . 51834 1 530 . 1 . 1 81 81 VAL CB C 13 33.269 0.000 . . . . . . . 199 V CB . 51834 1 531 . 1 . 1 81 81 VAL N N 15 120.828 0.000 . . . . . . . 199 V N . 51834 1 532 . 1 . 1 82 82 SER H H 1 8.504 0.000 . . . . . . . 200 S H . 51834 1 533 . 1 . 1 82 82 SER HA H 1 4.571 0.000 . . . . . . . 200 S HA . 51834 1 534 . 1 . 1 82 82 SER HB2 H 1 3.909 0.000 . . . . . . . 200 S HB2 . 51834 1 535 . 1 . 1 82 82 SER CA C 13 58.431 0.000 . . . . . . . 200 S CA . 51834 1 536 . 1 . 1 82 82 SER CB C 13 63.978 0.000 . . . . . . . 200 S CB . 51834 1 537 . 1 . 1 82 82 SER N N 15 120.111 0.000 . . . . . . . 200 S N . 51834 1 538 . 1 . 1 83 83 THR H H 1 8.267 0.000 . . . . . . . 201 T H . 51834 1 539 . 1 . 1 83 83 THR CA C 13 61.983 0.000 . . . . . . . 201 T CA . 51834 1 540 . 1 . 1 83 83 THR CB C 13 69.859 0.000 . . . . . . . 201 T CB . 51834 1 541 . 1 . 1 83 83 THR N N 15 116.454 0.000 . . . . . . . 201 T N . 51834 1 542 . 1 . 1 84 84 GLN H H 1 7.992 0.000 . . . . . . . 202 Q H . 51834 1 543 . 1 . 1 84 84 GLN HB2 H 1 1.969 0.000 . . . . . . . 202 Q HB2 . 51834 1 544 . 1 . 1 84 84 GLN HB3 H 1 2.161 0.000 . . . . . . . 202 Q HB3 . 51834 1 545 . 1 . 1 84 84 GLN HG2 H 1 1.872 0.000 . . . . . . . 202 Q HG2 . 51834 1 546 . 1 . 1 84 84 GLN HE21 H 1 7.491 0.000 . . . . . . . 202 Q HE21 . 51834 1 547 . 1 . 1 84 84 GLN HE22 H 1 6.790 0.000 . . . . . . . 202 Q HE22 . 51834 1 548 . 1 . 1 84 84 GLN CA C 13 57.522 0.000 . . . . . . . 202 Q CA . 51834 1 549 . 1 . 1 84 84 GLN CB C 13 30.544 0.000 . . . . . . . 202 Q CB . 51834 1 550 . 1 . 1 84 84 GLN N N 15 127.162 0.000 . . . . . . . 202 Q N . 51834 1 551 . 1 . 1 84 84 GLN NE2 N 15 112.501 0.000 . . . . . . . 202 Q NE2 . 51834 1 stop_ save_