data_17043 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17043 _Entry.Title ; TMS2 domain of Dengue virus NS4A protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-06 _Entry.Accession_date 2010-07-06 _Entry.Last_release_date 2014-03-05 _Entry.Original_release_date 2014-03-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'TMS2 domain of Dengue virus NS4A protein' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Roland Montserret . . . 17043 2 Ralf Bartenschlager . . . 17043 3 Francois Penin . . . 17043 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17043 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Dengue virus' . 17043 'membrane protein' . 17043 'NMR structure' . 17043 'NS4A protein' . 17043 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17043 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 96 17043 '1H chemical shifts' 221 17043 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 . . 2014-03-05 2010-07-06 original author . 17043 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17043 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'TMS2 domain of Dengue virus NS4A protein' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Roland Montserret . . . 17043 1 2 Francois Penin . . . 17043 1 3 Ralf Bartenschlager . . . 17043 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Dengue virus' 17043 1 'membrane protein' 17043 1 nmr 17043 1 'NS4A protein' 17043 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17043 _Assembly.ID 1 _Assembly.Name 'TMS2 domain of Dengue virus NS4A protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'TMS2 domain' 1 $TMS2 A . yes native no no . . . 17043 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TMS2 _Entity.Sf_category entity _Entity.Sf_framecode TMS2 _Entity.Entry_ID 17043 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TMS2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KKSGRGIGKMTLGMCCIITA SILLWYAQIQGGKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'two solubilisation tag added to the sequence ; KK in N terminus and GGKK in C terminus' _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 34 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3661.534 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ BAJ05336 . "polyprotein [Dengue virus 2]" . . . . . 82.35 3391 100.00 100.00 2.78e-09 . . . . 17043 1 2 no DBJ BAJ05337 . "polyprotein, partial [Dengue virus 2]" . . . . . 82.35 1498 100.00 100.00 1.26e-09 . . . . 17043 1 3 no DBJ BAJ05338 . "polyprotein, partial [Dengue virus 2]" . . . . . 82.35 1498 100.00 100.00 1.26e-09 . . . . 17043 1 4 no EMBL CAD31751 . "DEN2 polyprotein [Dengue virus 2]" . . . . . 82.35 3391 100.00 100.00 2.81e-09 . . . . 17043 1 5 no EMBL CAI92123 . "polyprotein [Dengue virus 2]" . . . . . 82.35 3391 100.00 100.00 2.78e-09 . . . . 17043 1 6 no EMBL CAR65136 . "polyprotein [Dengue virus 2]" . . . . . 82.35 3391 100.00 100.00 3.03e-09 . . . . 17043 1 7 no EMBL CAR65137 . "polyprotein [Dengue virus 2]" . . . . . 82.35 3391 100.00 100.00 2.89e-09 . . . . 17043 1 8 no EMBL CAR65138 . "polyprotein [Dengue virus 2]" . . . . . 82.35 3391 100.00 100.00 2.89e-09 . . . . 17043 1 9 no GB AAA42941 . "viral polyprotein [Dengue virus 2]" . . . . . 82.35 3391 100.00 100.00 2.89e-09 . . . . 17043 1 10 no GB AAA42962 . "polyprotein [Dengue virus 2]" . . . . . 82.35 3388 100.00 100.00 2.78e-09 . . . . 17043 1 11 no GB AAA73185 . "nonstructural protein 5 [Dengue virus 2]" . . . . . 82.35 3391 100.00 100.00 2.78e-09 . . . . 17043 1 12 no GB AAB58782 . "polyprotein [Dengue virus 2 Thailand/16681/84]" . . . . . 82.35 3391 100.00 100.00 2.84e-09 . . . . 17043 1 13 no GB AAC40832 . "DEN polyprotein [Dengue virus 2]" . . . . . 82.35 3391 100.00 100.00 3.18e-09 . . . . 17043 1 14 no PRF 1301272B . "protein 2 [Dengue virus 2]" . . . . . 82.35 643 100.00 100.00 3.24e-09 . . . . 17043 1 15 no REF NP_056776 . "flavivirus polyprotein [Dengue virus 2]" . . . . . 82.35 3391 100.00 100.00 2.84e-09 . . . . 17043 1 16 no REF NP_739588 . "Nonstructural protein NS4A [Dengue virus 2]" . . . . . 82.35 127 100.00 100.00 6.32e-10 . . . . 17043 1 17 no SP P12823 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Capsid protein C; AltName: Full=Core protein; Contains: RecName: Full" . . . . . 82.35 3388 100.00 100.00 2.78e-09 . . . . 17043 1 18 no SP P14340 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Capsid protein C; AltName: Full=Core protein; Contains: RecName: Full" . . . . . 82.35 3391 100.00 100.00 2.89e-09 . . . . 17043 1 19 no SP P29990 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Capsid protein C; AltName: Full=Core protein; Contains: RecName: Full" . . . . . 82.35 3391 100.00 100.00 2.78e-09 . . . . 17043 1 20 no SP Q9WDA6 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Capsid protein C; AltName: Full=Core protein; Contains: RecName: Full" . . . . . 82.35 3391 100.00 100.00 2.81e-09 . . . . 17043 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'membrane segment' 17043 1 stop_ 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 . LYS . 17043 1 2 . LYS . 17043 1 3 . SER . 17043 1 4 . GLY . 17043 1 5 . ARG . 17043 1 6 . GLY . 17043 1 7 . ILE . 17043 1 8 . GLY . 17043 1 9 . LYS . 17043 1 10 . MET . 17043 1 11 . THR . 17043 1 12 . LEU . 17043 1 13 . GLY . 17043 1 14 . MET . 17043 1 15 . CYS . 17043 1 16 . CYS . 17043 1 17 . ILE . 17043 1 18 . ILE . 17043 1 19 . THR . 17043 1 20 . ALA . 17043 1 21 . SER . 17043 1 22 . ILE . 17043 1 23 . LEU . 17043 1 24 . LEU . 17043 1 25 . TRP . 17043 1 26 . TYR . 17043 1 27 . ALA . 17043 1 28 . GLN . 17043 1 29 . ILE . 17043 1 30 . GLN . 17043 1 31 . GLY . 17043 1 32 . GLY . 17043 1 33 . LYS . 17043 1 34 . LYS . 17043 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 . LYS 1 1 17043 1 . LYS 2 2 17043 1 . SER 3 3 17043 1 . GLY 4 4 17043 1 . ARG 5 5 17043 1 . GLY 6 6 17043 1 . ILE 7 7 17043 1 . GLY 8 8 17043 1 . LYS 9 9 17043 1 . MET 10 10 17043 1 . THR 11 11 17043 1 . LEU 12 12 17043 1 . GLY 13 13 17043 1 . MET 14 14 17043 1 . CYS 15 15 17043 1 . CYS 16 16 17043 1 . ILE 17 17 17043 1 . ILE 18 18 17043 1 . THR 19 19 17043 1 . ALA 20 20 17043 1 . SER 21 21 17043 1 . ILE 22 22 17043 1 . LEU 23 23 17043 1 . LEU 24 24 17043 1 . TRP 25 25 17043 1 . TYR 26 26 17043 1 . ALA 27 27 17043 1 . GLN 28 28 17043 1 . ILE 29 29 17043 1 . GLN 30 30 17043 1 . GLY 31 31 17043 1 . GLY 32 32 17043 1 . LYS 33 33 17043 1 . LYS 34 34 17043 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17043 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $TMS2 . 12637 organism . 'Dengue virus' 'Dengue virus' . 00.026.0.01.013. . . Flavivirus . . . . . . . . . . . . . . . . . . . . . . 17043 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 17043 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $TMS2 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17043 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17043 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system trifluoroethanol/water _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 entity 'natural abundance' . . 1 $TMS2 . . 1 . . mM 0.1 . . . 17043 1 2 trifluoroethanol '[U-99% 2H]' . . . . . . 50 . . '% v/v' 1 . . . 17043 1 3 H2O 'natural abundance' . . . . . . 50 . . '% v/v' 1 . . . 17043 1 4 DTT '[U-99% 2H]' . . . . . . 20 . . mM 1 . . . 17043 1 5 DSS 'natural abundance' . . . . . . 0.2 . . mM 0.05 . . . 17043 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 17043 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6 . pH 17043 1 pressure 1 . atm 17043 1 temperature 273 . K 17043 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17043 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17043 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17043 1 processing 17043 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17043 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17043 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17043 2 'data analysis' 17043 2 'peak picking' 17043 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17043 _Software.ID 3 _Software.Name 'X-PLOR NIH' _Software.Version 2.24 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 17043 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17043 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17043 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17043 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 17043 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 17043 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17043 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17043 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17043 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17043 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17043 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17043 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17043 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.01 _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-1H NOESY' . . . 17043 1 2 '2D 1H-13C HSQC' . . . 17043 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 LYS HA H 1 4.09 0.01 . 1 . . . . 1 LYS HA . 17043 1 2 . 1 1 1 1 LYS HB2 H 1 1.98 0.01 . 1 . . . . 1 LYS HB2 . 17043 1 3 . 1 1 1 1 LYS HB3 H 1 1.98 0.01 . 1 . . . . 1 LYS HB3 . 17043 1 4 . 1 1 1 1 LYS HD2 H 1 1.77 0.01 . 1 . . . . 1 LYS HD2 . 17043 1 5 . 1 1 1 1 LYS HD3 H 1 1.77 0.01 . 1 . . . . 1 LYS HD3 . 17043 1 6 . 1 1 1 1 LYS HE2 H 1 3.07 0.01 . 1 . . . . 1 LYS HE2 . 17043 1 7 . 1 1 1 1 LYS HE3 H 1 3.07 0.01 . 1 . . . . 1 LYS HE3 . 17043 1 8 . 1 1 1 1 LYS HG2 H 1 1.55 0.01 . 1 . . . . 1 LYS HG2 . 17043 1 9 . 1 1 1 1 LYS HG3 H 1 1.55 0.01 . 1 . . . . 1 LYS HG3 . 17043 1 10 . 1 1 1 1 LYS CA C 13 56.59 0.01 . 1 . . . . 1 LYS CA . 17043 1 11 . 1 1 1 1 LYS CB C 13 34.04 0.01 . 1 . . . . 1 LYS CB . 17043 1 12 . 1 1 1 1 LYS CD C 13 29.88 0.01 . 1 . . . . 1 LYS CD . 17043 1 13 . 1 1 1 1 LYS CE C 13 42.80 0.01 . 1 . . . . 1 LYS CE . 17043 1 14 . 1 1 1 1 LYS CG C 13 25.44 0.01 . 1 . . . . 1 LYS CG . 17043 1 15 . 1 1 2 2 LYS H H 1 8.70 0.01 . 1 . . . . 2 LYS H . 17043 1 16 . 1 1 2 2 LYS HA H 1 4.48 0.01 . 1 . . . . 2 LYS HA . 17043 1 17 . 1 1 2 2 LYS HB2 H 1 1.92 0.01 . 2 . . . . 2 LYS HB2 . 17043 1 18 . 1 1 2 2 LYS HB3 H 1 1.83 0.01 . 2 . . . . 2 LYS HB3 . 17043 1 19 . 1 1 2 2 LYS HD2 H 1 1.76 0.01 . 1 . . . . 2 LYS HD2 . 17043 1 20 . 1 1 2 2 LYS HD3 H 1 1.76 0.01 . 1 . . . . 2 LYS HD3 . 17043 1 21 . 1 1 2 2 LYS HE2 H 1 3.05 0.01 . 1 . . . . 2 LYS HE2 . 17043 1 22 . 1 1 2 2 LYS HE3 H 1 3.05 0.01 . 1 . . . . 2 LYS HE3 . 17043 1 23 . 1 1 2 2 LYS HG2 H 1 1.53 0.01 . 1 . . . . 2 LYS HG2 . 17043 1 24 . 1 1 2 2 LYS HG3 H 1 1.53 0.01 . 1 . . . . 2 LYS HG3 . 17043 1 25 . 1 1 2 2 LYS CA C 13 57.39 0.01 . 1 . . . . 2 LYS CA . 17043 1 26 . 1 1 2 2 LYS CB C 13 34.01 0.01 . 1 . . . . 2 LYS CB . 17043 1 27 . 1 1 2 2 LYS CD C 13 29.86 0.01 . 1 . . . . 2 LYS CD . 17043 1 28 . 1 1 2 2 LYS CE C 13 42.99 0.01 . 1 . . . . 2 LYS CE . 17043 1 29 . 1 1 2 2 LYS CG C 13 24.59 0.01 . 1 . . . . 2 LYS CG . 17043 1 30 . 1 1 3 3 SER H H 1 8.35 0.01 . 1 . . . . 3 SER H . 17043 1 31 . 1 1 3 3 SER HA H 1 4.57 0.01 . 1 . . . . 3 SER HA . 17043 1 32 . 1 1 3 3 SER HB2 H 1 3.96 0.01 . 2 . . . . 3 SER HB2 . 17043 1 33 . 1 1 3 3 SER HB3 H 1 3.92 0.01 . 2 . . . . 3 SER HB3 . 17043 1 34 . 1 1 3 3 SER CA C 13 58.88 0.01 . 1 . . . . 3 SER CA . 17043 1 35 . 1 1 3 3 SER CB C 13 65.14 0.01 . 1 . . . . 3 SER CB . 17043 1 36 . 1 1 4 4 GLY H H 1 8.38 0.01 . 1 . . . . 4 GLY H . 17043 1 37 . 1 1 4 4 GLY HA2 H 1 4.09 0.01 . 2 . . . . 4 GLY HA2 . 17043 1 38 . 1 1 4 4 GLY HA3 H 1 4.01 0.01 . 2 . . . . 4 GLY HA3 . 17043 1 39 . 1 1 4 4 GLY CA C 13 46.02 0.01 . 1 . . . . 4 GLY CA . 17043 1 40 . 1 1 5 5 ARG H H 1 8.21 0.01 . 1 . . . . 5 ARG H . 17043 1 41 . 1 1 5 5 ARG HA H 1 4.39 0.01 . 1 . . . . 5 ARG HA . 17043 1 42 . 1 1 5 5 ARG HB2 H 1 1.93 0.01 . 2 . . . . 5 ARG HB2 . 17043 1 43 . 1 1 5 5 ARG HB3 H 1 1.82 0.01 . 2 . . . . 5 ARG HB3 . 17043 1 44 . 1 1 5 5 ARG HD2 H 1 3.24 0.01 . 1 . . . . 5 ARG HD2 . 17043 1 45 . 1 1 5 5 ARG HD3 H 1 3.24 0.01 . 1 . . . . 5 ARG HD3 . 17043 1 46 . 1 1 5 5 ARG HE H 1 7.20 0.01 . 1 . . . . 5 ARG HE . 17043 1 47 . 1 1 5 5 ARG HG2 H 1 1.72 0.01 . 2 . . . . 5 ARG HG2 . 17043 1 48 . 1 1 5 5 ARG HG3 H 1 1.72 0.01 . 1 . . . . 5 ARG HG3 . 17043 1 49 . 1 1 5 5 ARG CA C 13 57.28 0.01 . 1 . . . . 5 ARG CA . 17043 1 50 . 1 1 5 5 ARG CB C 13 31.72 0.01 . 1 . . . . 5 ARG CB . 17043 1 51 . 1 1 5 5 ARG CD C 13 44.06 0.01 . 1 . . . . 5 ARG CD . 17043 1 52 . 1 1 5 5 ARG CG C 13 27.85 0.01 . 1 . . . . 5 ARG CG . 17043 1 53 . 1 1 6 6 GLY H H 1 8.35 0.01 . 1 . . . . 6 GLY H . 17043 1 54 . 1 1 6 6 GLY HA2 H 1 4.01 0.01 . 2 . . . . 6 GLY HA2 . 17043 1 55 . 1 1 6 6 GLY HA3 H 1 4.01 0.01 . 2 . . . . 6 GLY HA3 . 17043 1 56 . 1 1 6 6 GLY CA C 13 46.17 0.01 . 1 . . . . 6 GLY CA . 17043 1 57 . 1 1 7 7 ILE H H 1 7.83 0.01 . 1 . . . . 7 ILE H . 17043 1 58 . 1 1 7 7 ILE HA H 1 4.23 0.01 . 1 . . . . 7 ILE HA . 17043 1 59 . 1 1 7 7 ILE HB H 1 1.94 0.01 . 1 . . . . 7 ILE HB . 17043 1 60 . 1 1 7 7 ILE HD11 H 1 0.92 0.01 . 1 . . . . 7 ILE MD . 17043 1 61 . 1 1 7 7 ILE HD12 H 1 0.92 0.01 . 1 . . . . 7 ILE MD . 17043 1 62 . 1 1 7 7 ILE HD13 H 1 0.92 0.01 . 1 . . . . 7 ILE MD . 17043 1 63 . 1 1 7 7 ILE HG12 H 1 1.54 0.01 . 2 . . . . 7 ILE HG12 . 17043 1 64 . 1 1 7 7 ILE HG13 H 1 1.25 0.01 . 2 . . . . 7 ILE HG13 . 17043 1 65 . 1 1 7 7 ILE HG21 H 1 0.99 0.01 . 1 . . . . 7 ILE MG . 17043 1 66 . 1 1 7 7 ILE HG22 H 1 0.99 0.01 . 1 . . . . 7 ILE MG . 17043 1 67 . 1 1 7 7 ILE HG23 H 1 0.99 0.01 . 1 . . . . 7 ILE MG . 17043 1 68 . 1 1 7 7 ILE CA C 13 62.62 0.01 . 1 . . . . 7 ILE CA . 17043 1 69 . 1 1 7 7 ILE CB C 13 39.63 0.01 . 1 . . . . 7 ILE CB . 17043 1 70 . 1 1 7 7 ILE CD1 C 13 13.27 0.01 . 1 . . . . 7 ILE CD1 . 17043 1 71 . 1 1 7 7 ILE CG1 C 13 28.17 0.01 . 1 . . . . 7 ILE CG1 . 17043 1 72 . 1 1 7 7 ILE CG2 C 13 17.76 0.01 . 1 . . . . 7 ILE CG2 . 17043 1 73 . 1 1 8 8 GLY H H 1 8.32 0.01 . 1 . . . . 8 GLY H . 17043 1 74 . 1 1 8 8 GLY HA2 H 1 3.99 0.01 . 1 . . . . 8 GLY HA2 . 17043 1 75 . 1 1 8 8 GLY HA3 H 1 3.99 0.01 . 1 . . . . 8 GLY HA3 . 17043 1 76 . 1 1 8 8 GLY CA C 13 46.55 0.01 . 1 . . . . 8 GLY CA . 17043 1 77 . 1 1 9 9 LYS H H 1 8.06 0.01 . 1 . . . . 9 LYS H . 17043 1 78 . 1 1 9 9 LYS HA H 1 4.26 0.01 . 1 . . . . 9 LYS HA . 17043 1 79 . 1 1 9 9 LYS HB2 H 1 1.91 0.01 . 2 . . . . 9 LYS HB2 . 17043 1 80 . 1 1 9 9 LYS HB3 H 1 1.86 0.01 . 2 . . . . 9 LYS HB3 . 17043 1 81 . 1 1 9 9 LYS HD2 H 1 1.74 0.01 . 1 . . . . 9 LYS HD2 . 17043 1 82 . 1 1 9 9 LYS HD3 H 1 1.74 0.01 . 1 . . . . 9 LYS HD3 . 17043 1 83 . 1 1 9 9 LYS HE2 H 1 3.02 0.01 . 1 . . . . 9 LYS HE2 . 17043 1 84 . 1 1 9 9 LYS HE3 H 1 3.02 0.01 . 1 . . . . 9 LYS HE3 . 17043 1 85 . 1 1 9 9 LYS HG2 H 1 1.50 0.01 . 1 . . . . 9 LYS HG2 . 17043 1 86 . 1 1 9 9 LYS HG3 H 1 1.50 0.01 . 1 . . . . 9 LYS HG3 . 17043 1 87 . 1 1 9 9 LYS CA C 13 58.54 0.01 . 1 . . . . 9 LYS CA . 17043 1 88 . 1 1 9 9 LYS CB C 13 33.71 0.01 . 1 . . . . 9 LYS CB . 17043 1 89 . 1 1 9 9 LYS CD C 13 29.84 0.01 . 1 . . . . 9 LYS CD . 17043 1 90 . 1 1 9 9 LYS CE C 13 43.00 0.01 . 1 . . . . 9 LYS CE . 17043 1 91 . 1 1 9 9 LYS CG C 13 25.45 0.01 . 1 . . . . 9 LYS CG . 17043 1 92 . 1 1 10 10 MET H H 1 8.19 0.01 . 1 . . . . 10 MET H . 17043 1 93 . 1 1 10 10 MET HA H 1 4.52 0.01 . 1 . . . . 10 MET HA . 17043 1 94 . 1 1 10 10 MET HB2 H 1 2.16 0.01 . 1 . . . . 10 MET HB2 . 17043 1 95 . 1 1 10 10 MET HB3 H 1 2.16 0.01 . 1 . . . . 10 MET HB3 . 17043 1 96 . 1 1 10 10 MET HG2 H 1 2.63 0.01 . 1 . . . . 10 MET HG2 . 17043 1 97 . 1 1 10 10 MET HG3 H 1 2.63 0.01 . 1 . . . . 10 MET HG3 . 17043 1 98 . 1 1 10 10 MET CA C 13 57.71 0.01 . 1 . . . . 10 MET CA . 17043 1 99 . 1 1 10 10 MET CB C 13 33.47 0.01 . 1 . . . . 10 MET CB . 17043 1 100 . 1 1 10 10 MET CG C 13 32.83 0.01 . 1 . . . . 10 MET CG . 17043 1 101 . 1 1 11 11 THR H H 1 7.83 0.01 . 1 . . . . 11 THR H . 17043 1 102 . 1 1 11 11 THR HA H 1 4.29 0.01 . 1 . . . . 11 THR HA . 17043 1 103 . 1 1 11 11 THR HB H 1 4.43 0.01 . 1 . . . . 11 THR HB . 17043 1 104 . 1 1 11 11 THR HG21 H 1 1.32 0.01 . 1 . . . . 11 THR MG . 17043 1 105 . 1 1 11 11 THR HG22 H 1 1.32 0.01 . 1 . . . . 11 THR MG . 17043 1 106 . 1 1 11 11 THR HG23 H 1 1.32 0.01 . 1 . . . . 11 THR MG . 17043 1 107 . 1 1 11 11 THR CA C 13 64.25 0.01 . 1 . . . . 11 THR CA . 17043 1 108 . 1 1 11 11 THR CB C 13 70.85 0.01 . 1 . . . . 11 THR CB . 17043 1 109 . 1 1 11 11 THR CG2 C 13 22.22 0.01 . 1 . . . . 11 THR CG2 . 17043 1 110 . 1 1 12 12 LEU H H 1 8.19 0.01 . 1 . . . . 12 LEU H . 17043 1 111 . 1 1 12 12 LEU HA H 1 4.21 0.01 . 1 . . . . 12 LEU HA . 17043 1 112 . 1 1 12 12 LEU HB2 H 1 1.74 0.01 . 1 . . . . 12 LEU HB2 . 17043 1 113 . 1 1 12 12 LEU HB3 H 1 1.74 0.01 . 1 . . . . 12 LEU HB3 . 17043 1 114 . 1 1 12 12 LEU CA C 13 58.83 0.01 . 1 . . . . 12 LEU CA . 17043 1 115 . 1 1 12 12 LEU CB C 13 42.10 0.01 . 1 . . . . 12 LEU CB . 17043 1 116 . 1 1 13 13 GLY H H 1 8.28 0.01 . 1 . . . . 13 GLY H . 17043 1 117 . 1 1 13 13 GLY HA2 H 1 3.88 0.01 . 1 . . . . 13 GLY HA2 . 17043 1 118 . 1 1 13 13 GLY HA3 H 1 3.88 0.01 . 1 . . . . 13 GLY HA3 . 17043 1 119 . 1 1 13 13 GLY CA C 13 47.88 0.01 . 1 . . . . 13 GLY CA . 17043 1 120 . 1 1 14 14 MET H H 1 7.93 0.01 . 1 . . . . 14 MET H . 17043 1 121 . 1 1 14 14 MET HA H 1 4.35 0.01 . 1 . . . . 14 MET HA . 17043 1 122 . 1 1 14 14 MET HB2 H 1 2.26 0.01 . 1 . . . . 14 MET HB2 . 17043 1 123 . 1 1 14 14 MET HB3 H 1 2.26 0.01 . 1 . . . . 14 MET HB3 . 17043 1 124 . 1 1 14 14 MET HG2 H 1 2.72 0.01 . 2 . . . . 14 MET HG2 . 17043 1 125 . 1 1 14 14 MET HG3 H 1 2.66 0.01 . 2 . . . . 14 MET HG3 . 17043 1 126 . 1 1 14 14 MET CA C 13 59.08 0.01 . 1 . . . . 14 MET CA . 17043 1 127 . 1 1 14 14 MET CB C 13 33.00 0.01 . 1 . . . . 14 MET CB . 17043 1 128 . 1 1 14 14 MET CG C 13 32.77 0.01 . 1 . . . . 14 MET CG . 17043 1 129 . 1 1 15 15 CYS H H 1 8.28 0.01 . 1 . . . . 15 CYS H . 17043 1 130 . 1 1 15 15 CYS HA H 1 4.17 0.01 . 1 . . . . 15 CYS HA . 17043 1 131 . 1 1 15 15 CYS HB2 H 1 3.26 0.01 . 2 . . . . 15 CYS HB2 . 17043 1 132 . 1 1 15 15 CYS HB3 H 1 3.02 0.01 . 2 . . . . 15 CYS HB3 . 17043 1 133 . 1 1 15 15 CYS CA C 13 64.18 0.01 . 1 . . . . 15 CYS CA . 17043 1 134 . 1 1 15 15 CYS CB C 13 27.00 0.01 . 1 . . . . 15 CYS CB . 17043 1 135 . 1 1 16 16 CYS H H 1 8.37 0.01 . 1 . . . . 16 CYS H . 17043 1 136 . 1 1 16 16 CYS HA H 1 4.20 0.01 . 1 . . . . 16 CYS HA . 17043 1 137 . 1 1 16 16 CYS HB2 H 1 2.96 0.01 . 2 . . . . 16 CYS HB2 . 17043 1 138 . 1 1 16 16 CYS HB3 H 1 3.30 0.01 . 2 . . . . 16 CYS HB3 . 17043 1 139 . 1 1 16 16 CYS CA C 13 64.64 0.01 . 1 . . . . 16 CYS CA . 17043 1 140 . 1 1 16 16 CYS CB C 13 27.07 0.01 . 1 . . . . 16 CYS CB . 17043 1 141 . 1 1 17 17 ILE H H 1 7.92 0.01 . 1 . . . . 17 ILE H . 17043 1 142 . 1 1 17 17 ILE HA H 1 3.85 0.01 . 1 . . . . 17 ILE HA . 17043 1 143 . 1 1 17 17 ILE HB H 1 2.08 0.01 . 1 . . . . 17 ILE HB . 17043 1 144 . 1 1 17 17 ILE HD11 H 1 0.90 0.01 . 1 . . . . 17 ILE MD . 17043 1 145 . 1 1 17 17 ILE HD12 H 1 0.90 0.01 . 1 . . . . 17 ILE MD . 17043 1 146 . 1 1 17 17 ILE HD13 H 1 0.90 0.01 . 1 . . . . 17 ILE MD . 17043 1 147 . 1 1 17 17 ILE HG12 H 1 1.77 0.01 . 2 . . . . 17 ILE HG12 . 17043 1 148 . 1 1 17 17 ILE HG13 H 1 1.24 0.01 . 2 . . . . 17 ILE HG13 . 17043 1 149 . 1 1 17 17 ILE HG21 H 1 0.97 0.01 . 1 . . . . 17 ILE MG . 17043 1 150 . 1 1 17 17 ILE HG22 H 1 0.97 0.01 . 1 . . . . 17 ILE MG . 17043 1 151 . 1 1 17 17 ILE HG23 H 1 0.97 0.01 . 1 . . . . 17 ILE MG . 17043 1 152 . 1 1 17 17 ILE CA C 13 65.68 0.01 . 1 . . . . 17 ILE CA . 17043 1 153 . 1 1 17 17 ILE CB C 13 38.90 0.01 . 1 . . . . 17 ILE CB . 17043 1 154 . 1 1 17 17 ILE CD1 C 13 12.79 0.01 . 1 . . . . 17 ILE CD1 . 17043 1 155 . 1 1 17 17 ILE CG1 C 13 29.45 0.01 . 1 . . . . 17 ILE CG1 . 17043 1 156 . 1 1 17 17 ILE CG2 C 13 17.77 0.01 . 1 . . . . 17 ILE CG2 . 17043 1 157 . 1 1 18 18 ILE H H 1 8.61 0.01 . 1 . . . . 18 ILE H . 17043 1 158 . 1 1 18 18 ILE HA H 1 3.73 0.01 . 1 . . . . 18 ILE HA . 17043 1 159 . 1 1 18 18 ILE HB H 1 1.92 0.01 . 1 . . . . 18 ILE HB . 17043 1 160 . 1 1 18 18 ILE HD11 H 1 0.89 0.01 . 1 . . . . 18 ILE MD . 17043 1 161 . 1 1 18 18 ILE HD12 H 1 0.89 0.01 . 1 . . . . 18 ILE MD . 17043 1 162 . 1 1 18 18 ILE HD13 H 1 0.89 0.01 . 1 . . . . 18 ILE MD . 17043 1 163 . 1 1 18 18 ILE HG21 H 1 0.97 0.01 . 1 . . . . 18 ILE MG . 17043 1 164 . 1 1 18 18 ILE HG22 H 1 0.97 0.01 . 1 . . . . 18 ILE MG . 17043 1 165 . 1 1 18 18 ILE HG23 H 1 0.97 0.01 . 1 . . . . 18 ILE MG . 17043 1 166 . 1 1 18 18 ILE CA C 13 66.52 0.01 . 1 . . . . 18 ILE CA . 17043 1 167 . 1 1 18 18 ILE CB C 13 38.96 0.01 . 1 . . . . 18 ILE CB . 17043 1 168 . 1 1 18 18 ILE CD1 C 13 13.16 0.01 . 1 . . . . 18 ILE CD1 . 17043 1 169 . 1 1 18 18 ILE CG2 C 13 17.28 0.01 . 1 . . . . 18 ILE CG2 . 17043 1 170 . 1 1 19 19 THR H H 1 8.13 0.01 . 1 . . . . 19 THR H . 17043 1 171 . 1 1 19 19 THR HA H 1 3.90 0.01 . 1 . . . . 19 THR HA . 17043 1 172 . 1 1 19 19 THR HB H 1 4.35 0.01 . 1 . . . . 19 THR HB . 17043 1 173 . 1 1 19 19 THR HG21 H 1 1.31 0.01 . 1 . . . . 19 THR HG1 . 17043 1 174 . 1 1 19 19 THR HG22 H 1 1.31 0.01 . 1 . . . . 19 THR HG1 . 17043 1 175 . 1 1 19 19 THR HG23 H 1 1.31 0.01 . 1 . . . . 19 THR HG1 . 17043 1 176 . 1 1 19 19 THR CA C 13 68.43 0.01 . 1 . . . . 19 THR CA . 17043 1 177 . 1 1 19 19 THR CB C 13 69.72 0.01 . 1 . . . . 19 THR CB . 17043 1 178 . 1 1 19 19 THR CG2 C 13 21.24 0.01 . 1 . . . . 19 THR CG2 . 17043 1 179 . 1 1 20 20 ALA H H 1 8.36 0.01 . 1 . . . . 20 ALA H . 17043 1 180 . 1 1 20 20 ALA HA H 1 4.11 0.01 . 1 . . . . 20 ALA HA . 17043 1 181 . 1 1 20 20 ALA HB1 H 1 1.57 0.01 . 1 . . . . 20 ALA MB . 17043 1 182 . 1 1 20 20 ALA HB2 H 1 1.57 0.01 . 1 . . . . 20 ALA MB . 17043 1 183 . 1 1 20 20 ALA HB3 H 1 1.57 0.01 . 1 . . . . 20 ALA MB . 17043 1 184 . 1 1 20 20 ALA CA C 13 56.46 0.01 . 1 . . . . 20 ALA CA . 17043 1 185 . 1 1 20 20 ALA CB C 13 18.30 0.01 . 1 . . . . 20 ALA CB . 17043 1 186 . 1 1 21 21 SER H H 1 8.15 0.01 . 1 . . . . 21 SER H . 17043 1 187 . 1 1 21 21 SER HA H 1 4.25 0.01 . 1 . . . . 21 SER HA . 17043 1 188 . 1 1 21 21 SER CA C 13 63.43 0.01 . 1 . . . . 21 SER CA . 17043 1 189 . 1 1 22 22 ILE H H 1 8.15 0.01 . 1 . . . . 22 ILE H . 17043 1 190 . 1 1 22 22 ILE HA H 1 3.98 0.01 . 1 . . . . 22 ILE HA . 17043 1 191 . 1 1 22 22 ILE HB H 1 2.11 0.01 . 1 . . . . 22 ILE HB . 17043 1 192 . 1 1 22 22 ILE HD11 H 1 0.87 0.01 . 1 . . . . 22 ILE MD . 17043 1 193 . 1 1 22 22 ILE HD12 H 1 0.87 0.01 . 1 . . . . 22 ILE MD . 17043 1 194 . 1 1 22 22 ILE HD13 H 1 0.87 0.01 . 1 . . . . 22 ILE MD . 17043 1 195 . 1 1 22 22 ILE HG12 H 1 1.91 0.01 . 2 . . . . 22 ILE HG12 . 17043 1 196 . 1 1 22 22 ILE HG13 H 1 1.14 0.01 . 2 . . . . 22 ILE HG13 . 17043 1 197 . 1 1 22 22 ILE HG21 H 1 1.05 0.01 . 1 . . . . 22 ILE MG . 17043 1 198 . 1 1 22 22 ILE HG22 H 1 1.05 0.01 . 1 . . . . 22 ILE MG . 17043 1 199 . 1 1 22 22 ILE HG23 H 1 1.05 0.01 . 1 . . . . 22 ILE MG . 17043 1 200 . 1 1 22 22 ILE CA C 13 66.12 0.01 . 1 . . . . 22 ILE CA . 17043 1 201 . 1 1 22 22 ILE CB C 13 38.94 0.01 . 1 . . . . 22 ILE CB . 17043 1 202 . 1 1 22 22 ILE CD1 C 13 13.49 0.01 . 1 . . . . 22 ILE CD1 . 17043 1 203 . 1 1 22 22 ILE CG1 C 13 29.48 0.01 . 1 . . . . 22 ILE CG1 . 17043 1 204 . 1 1 22 22 ILE CG2 C 13 17.52 0.01 . 1 . . . . 22 ILE CG2 . 17043 1 205 . 1 1 23 23 LEU H H 1 8.31 0.01 . 1 . . . . 23 LEU H . 17043 1 206 . 1 1 23 23 LEU HA H 1 4.26 0.01 . 1 . . . . 23 LEU HA . 17043 1 207 . 1 1 23 23 LEU HB2 H 1 2.01 0.01 . 2 . . . . 23 LEU HB2 . 17043 1 208 . 1 1 23 23 LEU HB3 H 1 1.63 0.01 . 2 . . . . 23 LEU HB3 . 17043 1 209 . 1 1 23 23 LEU CA C 13 59.38 0.01 . 1 . . . . 23 LEU CA . 17043 1 210 . 1 1 23 23 LEU CB C 13 42.30 0.01 . 1 . . . . 23 LEU CB . 17043 1 211 . 1 1 24 24 LEU H H 1 8.50 0.01 . 1 . . . . 24 LEU H . 17043 1 212 . 1 1 24 24 LEU HA H 1 4.23 0.01 . 1 . . . . 24 LEU HA . 17043 1 213 . 1 1 24 24 LEU HB2 H 1 1.95 0.01 . 2 . . . . 24 LEU HB2 . 17043 1 214 . 1 1 24 24 LEU HB3 H 1 1.67 0.01 . 2 . . . . 24 LEU HB3 . 17043 1 215 . 1 1 25 25 TRP H H 1 8.13 0.01 . 1 . . . . 25 TRP H . 17043 1 216 . 1 1 25 25 TRP HA H 1 4.44 0.01 . 1 . . . . 25 TRP HA . 17043 1 217 . 1 1 25 25 TRP HB2 H 1 3.68 0.01 . 2 . . . . 25 TRP HB2 . 17043 1 218 . 1 1 25 25 TRP HB3 H 1 3.44 0.01 . 2 . . . . 25 TRP HB3 . 17043 1 219 . 1 1 25 25 TRP HD1 H 1 7.07 0.01 . 1 . . . . 25 TRP HD1 . 17043 1 220 . 1 1 25 25 TRP HE1 H 1 9.49 0.01 . 1 . . . . 25 TRP HE1 . 17043 1 221 . 1 1 25 25 TRP HE3 H 1 7.62 0.01 . 1 . . . . 25 TRP HE3 . 17043 1 222 . 1 1 25 25 TRP HH2 H 1 7.17 0.01 . 1 . . . . 25 TRP HH2 . 17043 1 223 . 1 1 25 25 TRP HZ2 H 1 7.40 0.01 . 1 . . . . 25 TRP HZ2 . 17043 1 224 . 1 1 25 25 TRP HZ3 H 1 7.04 0.01 . 1 . . . . 25 TRP HZ3 . 17043 1 225 . 1 1 25 25 TRP CA C 13 61.85 0.01 . 1 . . . . 25 TRP CA . 17043 1 226 . 1 1 25 25 TRP CB C 13 29.41 0.01 . 1 . . . . 25 TRP CB . 17043 1 227 . 1 1 26 26 TYR H H 1 8.88 0.01 . 1 . . . . 26 TYR H . 17043 1 228 . 1 1 26 26 TYR HA H 1 3.92 0.01 . 1 . . . . 26 TYR HA . 17043 1 229 . 1 1 26 26 TYR HB2 H 1 3.26 0.01 . 2 . . . . 26 TYR HB2 . 17043 1 230 . 1 1 26 26 TYR HB3 H 1 3.20 0.01 . 2 . . . . 26 TYR HB3 . 17043 1 231 . 1 1 26 26 TYR HD1 H 1 7.16 0.01 . 3 . . . . 26 TYR HD1 . 17043 1 232 . 1 1 26 26 TYR HD2 H 1 7.16 0.01 . 3 . . . . 26 TYR HD2 . 17043 1 233 . 1 1 26 26 TYR HE1 H 1 6.82 0.01 . 3 . . . . 26 TYR HE1 . 17043 1 234 . 1 1 26 26 TYR HE2 H 1 6.82 0.01 . 3 . . . . 26 TYR HE2 . 17043 1 235 . 1 1 26 26 TYR CA C 13 60.30 0.01 . 1 . . . . 26 TYR CA . 17043 1 236 . 1 1 26 26 TYR CB C 13 38.95 0.01 . 1 . . . . 26 TYR CB . 17043 1 237 . 1 1 27 27 ALA H H 1 8.63 0.01 . 1 . . . . 27 ALA H . 17043 1 238 . 1 1 27 27 ALA HA H 1 4.03 0.01 . 1 . . . . 27 ALA HA . 17043 1 239 . 1 1 27 27 ALA HB1 H 1 1.60 0.01 . 1 . . . . 27 ALA MB . 17043 1 240 . 1 1 27 27 ALA HB2 H 1 1.60 0.01 . 1 . . . . 27 ALA MB . 17043 1 241 . 1 1 27 27 ALA HB3 H 1 1.60 0.01 . 1 . . . . 27 ALA MB . 17043 1 242 . 1 1 27 27 ALA CA C 13 55.92 0.01 . 1 . . . . 27 ALA CA . 17043 1 243 . 1 1 27 27 ALA CB C 13 18.43 0.01 . 1 . . . . 27 ALA CB . 17043 1 244 . 1 1 28 28 GLN H H 1 8.02 0.01 . 1 . . . . 28 GLN H . 17043 1 245 . 1 1 28 28 GLN HA H 1 4.08 0.01 . 1 . . . . 28 GLN HA . 17043 1 246 . 1 1 28 28 GLN HB2 H 1 2.27 0.01 . 2 . . . . 28 GLN HB2 . 17043 1 247 . 1 1 28 28 GLN HB3 H 1 2.14 0.01 . 2 . . . . 28 GLN HB3 . 17043 1 248 . 1 1 28 28 GLN HE21 H 1 6.93 0.01 . 2 . . . . 28 GLN HE21 . 17043 1 249 . 1 1 28 28 GLN HE22 H 1 6.45 0.01 . 2 . . . . 28 GLN HE22 . 17043 1 250 . 1 1 28 28 GLN HG2 H 1 2.57 0.01 . 2 . . . . 28 GLN HG2 . 17043 1 251 . 1 1 28 28 GLN HG3 H 1 2.39 0.01 . 2 . . . . 28 GLN HG3 . 17043 1 252 . 1 1 28 28 GLN CA C 13 59.21 0.01 . 1 . . . . 28 GLN CA . 17043 1 253 . 1 1 28 28 GLN CB C 13 29.64 0.01 . 1 . . . . 28 GLN CB . 17043 1 254 . 1 1 28 28 GLN CG C 13 34.96 0.01 . 1 . . . . 28 GLN CG . 17043 1 255 . 1 1 29 29 ILE H H 1 7.95 0.01 . 1 . . . . 29 ILE H . 17043 1 256 . 1 1 29 29 ILE HA H 1 3.84 0.01 . 1 . . . . 29 ILE HA . 17043 1 257 . 1 1 29 29 ILE HB H 1 1.72 0.01 . 1 . . . . 29 ILE HB . 17043 1 258 . 1 1 29 29 ILE HD11 H 1 0.51 0.01 . 1 . . . . 29 ILE MD . 17043 1 259 . 1 1 29 29 ILE HD12 H 1 0.51 0.01 . 1 . . . . 29 ILE MD . 17043 1 260 . 1 1 29 29 ILE HD13 H 1 0.51 0.01 . 1 . . . . 29 ILE MD . 17043 1 261 . 1 1 29 29 ILE HG12 H 1 1.12 0.01 . 2 . . . . 29 ILE HG12 . 17043 1 262 . 1 1 29 29 ILE HG13 H 1 0.92 0.01 . 2 . . . . 29 ILE HG13 . 17043 1 263 . 1 1 29 29 ILE HG21 H 1 0.66 0.01 . 1 . . . . 29 ILE MG . 17043 1 264 . 1 1 29 29 ILE HG22 H 1 0.66 0.01 . 1 . . . . 29 ILE MG . 17043 1 265 . 1 1 29 29 ILE HG23 H 1 0.66 0.01 . 1 . . . . 29 ILE MG . 17043 1 266 . 1 1 29 29 ILE CA C 13 64.12 0.01 . 1 . . . . 29 ILE CA . 17043 1 267 . 1 1 29 29 ILE CB C 13 38.28 0.01 . 1 . . . . 29 ILE CB . 17043 1 268 . 1 1 29 29 ILE CD1 C 13 12.54 0.01 . 1 . . . . 29 ILE CD1 . 17043 1 269 . 1 1 29 29 ILE CG1 C 13 28.12 0.01 . 1 . . . . 29 ILE CG1 . 17043 1 270 . 1 1 29 29 ILE CG2 C 13 17.56 0.01 . 1 . . . . 29 ILE CG2 . 17043 1 271 . 1 1 30 30 GLN H H 1 8.03 0.01 . 1 . . . . 30 GLN H . 17043 1 272 . 1 1 30 30 GLN HA H 1 4.08 0.01 . 1 . . . . 30 GLN HA . 17043 1 273 . 1 1 30 30 GLN HB2 H 1 2.05 0.01 . 2 . . . . 30 GLN HB2 . 17043 1 274 . 1 1 30 30 GLN HB3 H 1 1.90 0.01 . 2 . . . . 30 GLN HB3 . 17043 1 275 . 1 1 30 30 GLN HG2 H 1 2.19 0.01 . 1 . . . . 30 GLN HG2 . 17043 1 276 . 1 1 30 30 GLN HG3 H 1 2.19 0.01 . 1 . . . . 30 GLN HG3 . 17043 1 277 . 1 1 30 30 GLN CA C 13 58.02 0.01 . 1 . . . . 30 GLN CA . 17043 1 278 . 1 1 30 30 GLN CB C 13 29.29 0.01 . 1 . . . . 30 GLN CB . 17043 1 279 . 1 1 30 30 GLN CG C 13 34.31 0.01 . 1 . . . . 30 GLN CG . 17043 1 280 . 1 1 31 31 GLY H H 1 7.97 0.01 . 1 . . . . 31 GLY H . 17043 1 281 . 1 1 31 31 GLY HA2 H 1 3.88 0.01 . 1 . . . . 31 GLY HA2 . 17043 1 282 . 1 1 31 31 GLY HA3 H 1 3.88 0.01 . 1 . . . . 31 GLY HA3 . 17043 1 283 . 1 1 31 31 GLY CA C 13 46.66 0.01 . 1 . . . . 31 GLY CA . 17043 1 284 . 1 1 32 32 GLY H H 1 7.97 0.01 . 1 . . . . 32 GLY H . 17043 1 285 . 1 1 32 32 GLY HA2 H 1 3.96 0.01 . 1 . . . . 32 GLY HA2 . 17043 1 286 . 1 1 32 32 GLY HA3 H 1 3.96 0.01 . 1 . . . . 32 GLY HA3 . 17043 1 287 . 1 1 32 32 GLY CA C 13 46.31 0.01 . 1 . . . . 32 GLY CA . 17043 1 288 . 1 1 33 33 LYS H H 1 7.88 0.01 . 1 . . . . 33 LYS H . 17043 1 289 . 1 1 33 33 LYS HA H 1 4.32 0.01 . 1 . . . . 33 LYS HA . 17043 1 290 . 1 1 33 33 LYS HB2 H 1 1.90 0.01 . 2 . . . . 33 LYS HB2 . 17043 1 291 . 1 1 33 33 LYS HB3 H 1 1.85 0.01 . 2 . . . . 33 LYS HB3 . 17043 1 292 . 1 1 33 33 LYS HD2 H 1 1.72 0.01 . 1 . . . . 33 LYS HD2 . 17043 1 293 . 1 1 33 33 LYS HD3 H 1 1.72 0.01 . 1 . . . . 33 LYS HD3 . 17043 1 294 . 1 1 33 33 LYS HE2 H 1 3.02 0.01 . 1 . . . . 33 LYS HE2 . 17043 1 295 . 1 1 33 33 LYS HE3 H 1 3.02 0.01 . 1 . . . . 33 LYS HE3 . 17043 1 296 . 1 1 33 33 LYS HG2 H 1 1.50 0.01 . 2 . . . . 33 LYS HG2 . 17043 1 297 . 1 1 33 33 LYS HG3 H 1 1.46 0.01 . 2 . . . . 33 LYS HG3 . 17043 1 298 . 1 1 33 33 LYS CA C 13 57.39 0.01 . 1 . . . . 33 LYS CA . 17043 1 299 . 1 1 33 33 LYS CB C 13 33.43 0.01 . 1 . . . . 33 LYS CB . 17043 1 300 . 1 1 33 33 LYS CD C 13 29.70 0.01 . 1 . . . . 33 LYS CD . 17043 1 301 . 1 1 33 33 LYS CE C 13 43.00 0.01 . 1 . . . . 33 LYS CE . 17043 1 302 . 1 1 33 33 LYS CG C 13 25.42 0.01 . 1 . . . . 33 LYS CG . 17043 1 303 . 1 1 34 34 LYS H H 1 7.99 0.01 . 1 . . . . 34 LYS H . 17043 1 304 . 1 1 34 34 LYS HA H 1 4.35 0.01 . 1 . . . . 34 LYS HA . 17043 1 305 . 1 1 34 34 LYS HB2 H 1 1.90 0.01 . 2 . . . . 34 LYS HB2 . 17043 1 306 . 1 1 34 34 LYS HB3 H 1 1.82 0.01 . 2 . . . . 34 LYS HB3 . 17043 1 307 . 1 1 34 34 LYS HD2 H 1 1.73 0.01 . 1 . . . . 34 LYS HD2 . 17043 1 308 . 1 1 34 34 LYS HD3 H 1 1.73 0.01 . 1 . . . . 34 LYS HD3 . 17043 1 309 . 1 1 34 34 LYS HE2 H 1 3.03 0.01 . 1 . . . . 34 LYS HE2 . 17043 1 310 . 1 1 34 34 LYS HE3 H 1 3.03 0.01 . 1 . . . . 34 LYS HE3 . 17043 1 311 . 1 1 34 34 LYS HG2 H 1 1.50 0.01 . 1 . . . . 34 LYS HG2 . 17043 1 312 . 1 1 34 34 LYS HG3 H 1 1.50 0.01 . 1 . . . . 34 LYS HG3 . 17043 1 313 . 1 1 34 34 LYS CA C 13 56.74 0.01 . 1 . . . . 34 LYS CA . 17043 1 314 . 1 1 34 34 LYS CB C 13 33.94 0.01 . 1 . . . . 34 LYS CB . 17043 1 315 . 1 1 34 34 LYS CD C 13 29.71 0.01 . 1 . . . . 34 LYS CD . 17043 1 316 . 1 1 34 34 LYS CE C 13 43.00 0.01 . 1 . . . . 34 LYS CE . 17043 1 317 . 1 1 34 34 LYS CG C 13 25.44 0.01 . 1 . . . . 34 LYS CG . 17043 1 stop_ save_