data_19670 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19670 _Entry.Title ; Solution structure of lysine-free (K0) ubiquitin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-12-09 _Entry.Accession_date 2013-12-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Tao Huang . . . 19670 2 Jess Li . R. . 19670 3 Andrew Byrd . R. . 19670 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' . 19670 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Lysine-free . 19670 ubiquitin . 19670 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19670 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 219 19670 '15N chemical shifts' 70 19670 '1H chemical shifts' 258 19670 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 . . 2014-04-23 2013-12-09 update BMRB 'update entry citation' 19670 1 . . 2014-03-31 2013-12-09 original author 'original release' 19670 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MI8 'BMRB Entry Tracking System' 19670 stop_ save_ ############### # Citations # ############### save_primary _Citation.Sf_category citations _Citation.Sf_framecode primary _Citation.Entry_ID 19670 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24591328 _Citation.Full_citation . _Citation.Title 'Solution structure of lysine-free (K0) ubiquitin.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full 'Protein science : a publication of the Protein Society' _Citation.Journal_volume 23 _Citation.Journal_issue 5 _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 662 _Citation.Page_last 667 _Citation.Year 2014 _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 Tao Huang . . . 19670 1 2 Jess Li . . . 19670 1 3 'R. Andrew' Byrd . . . 19670 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19670 _Assembly.ID 1 _Assembly.Name 'lysine-free (K0) ubiquitin' _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 'lysine-free (K0) ubiquitin' 1 $K-free_ubiquitin A . yes native no no . . . 19670 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_K-free_ubiquitin _Entity.Sf_category entity _Entity.Sf_framecode K-free_ubiquitin _Entity.Entry_ID 19670 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; MQIFVRTLTGRTITLEVEPS DTIENVRARIQDREGIPPDQ QRLIFAGRQLEDGRTLSDYN IQRESTLHLVLRLRGG ; _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 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8773.008 _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 PDB 2MI8 . "Solution Structure Of Lysine-free (k0) Ubiquitin" . . . . . 100.00 76 100.00 100.00 8.09e-45 . . . . 19670 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 1 MET . 19670 1 2 2 GLN . 19670 1 3 3 ILE . 19670 1 4 4 PHE . 19670 1 5 5 VAL . 19670 1 6 6 ARG . 19670 1 7 7 THR . 19670 1 8 8 LEU . 19670 1 9 9 THR . 19670 1 10 10 GLY . 19670 1 11 11 ARG . 19670 1 12 12 THR . 19670 1 13 13 ILE . 19670 1 14 14 THR . 19670 1 15 15 LEU . 19670 1 16 16 GLU . 19670 1 17 17 VAL . 19670 1 18 18 GLU . 19670 1 19 19 PRO . 19670 1 20 20 SER . 19670 1 21 21 ASP . 19670 1 22 22 THR . 19670 1 23 23 ILE . 19670 1 24 24 GLU . 19670 1 25 25 ASN . 19670 1 26 26 VAL . 19670 1 27 27 ARG . 19670 1 28 28 ALA . 19670 1 29 29 ARG . 19670 1 30 30 ILE . 19670 1 31 31 GLN . 19670 1 32 32 ASP . 19670 1 33 33 ARG . 19670 1 34 34 GLU . 19670 1 35 35 GLY . 19670 1 36 36 ILE . 19670 1 37 37 PRO . 19670 1 38 38 PRO . 19670 1 39 39 ASP . 19670 1 40 40 GLN . 19670 1 41 41 GLN . 19670 1 42 42 ARG . 19670 1 43 43 LEU . 19670 1 44 44 ILE . 19670 1 45 45 PHE . 19670 1 46 46 ALA . 19670 1 47 47 GLY . 19670 1 48 48 ARG . 19670 1 49 49 GLN . 19670 1 50 50 LEU . 19670 1 51 51 GLU . 19670 1 52 52 ASP . 19670 1 53 53 GLY . 19670 1 54 54 ARG . 19670 1 55 55 THR . 19670 1 56 56 LEU . 19670 1 57 57 SER . 19670 1 58 58 ASP . 19670 1 59 59 TYR . 19670 1 60 60 ASN . 19670 1 61 61 ILE . 19670 1 62 62 GLN . 19670 1 63 63 ARG . 19670 1 64 64 GLU . 19670 1 65 65 SER . 19670 1 66 66 THR . 19670 1 67 67 LEU . 19670 1 68 68 HIS . 19670 1 69 69 LEU . 19670 1 70 70 VAL . 19670 1 71 71 LEU . 19670 1 72 72 ARG . 19670 1 73 73 LEU . 19670 1 74 74 ARG . 19670 1 75 75 GLY . 19670 1 76 76 GLY . 19670 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 19670 1 . GLN 2 2 19670 1 . ILE 3 3 19670 1 . PHE 4 4 19670 1 . VAL 5 5 19670 1 . ARG 6 6 19670 1 . THR 7 7 19670 1 . LEU 8 8 19670 1 . THR 9 9 19670 1 . GLY 10 10 19670 1 . ARG 11 11 19670 1 . THR 12 12 19670 1 . ILE 13 13 19670 1 . THR 14 14 19670 1 . LEU 15 15 19670 1 . GLU 16 16 19670 1 . VAL 17 17 19670 1 . GLU 18 18 19670 1 . PRO 19 19 19670 1 . SER 20 20 19670 1 . ASP 21 21 19670 1 . THR 22 22 19670 1 . ILE 23 23 19670 1 . GLU 24 24 19670 1 . ASN 25 25 19670 1 . VAL 26 26 19670 1 . ARG 27 27 19670 1 . ALA 28 28 19670 1 . ARG 29 29 19670 1 . ILE 30 30 19670 1 . GLN 31 31 19670 1 . ASP 32 32 19670 1 . ARG 33 33 19670 1 . GLU 34 34 19670 1 . GLY 35 35 19670 1 . ILE 36 36 19670 1 . PRO 37 37 19670 1 . PRO 38 38 19670 1 . ASP 39 39 19670 1 . GLN 40 40 19670 1 . GLN 41 41 19670 1 . ARG 42 42 19670 1 . LEU 43 43 19670 1 . ILE 44 44 19670 1 . PHE 45 45 19670 1 . ALA 46 46 19670 1 . GLY 47 47 19670 1 . ARG 48 48 19670 1 . GLN 49 49 19670 1 . LEU 50 50 19670 1 . GLU 51 51 19670 1 . ASP 52 52 19670 1 . GLY 53 53 19670 1 . ARG 54 54 19670 1 . THR 55 55 19670 1 . LEU 56 56 19670 1 . SER 57 57 19670 1 . ASP 58 58 19670 1 . TYR 59 59 19670 1 . ASN 60 60 19670 1 . ILE 61 61 19670 1 . GLN 62 62 19670 1 . ARG 63 63 19670 1 . GLU 64 64 19670 1 . SER 65 65 19670 1 . THR 66 66 19670 1 . LEU 67 67 19670 1 . HIS 68 68 19670 1 . LEU 69 69 19670 1 . VAL 70 70 19670 1 . LEU 71 71 19670 1 . ARG 72 72 19670 1 . LEU 73 73 19670 1 . ARG 74 74 19670 1 . GLY 75 75 19670 1 . GLY 76 76 19670 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 19670 _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 $K-free_ubiquitin . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19670 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 19670 _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 $K-free_ubiquitin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET . . . . . . 19670 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19670 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 'K-free ubiquitin' '[U-13C; U-15N]' . . 1 $K-free_ubiquitin . . 0.5 . . mM . . . . 19670 1 2 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 19670 1 3 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 19670 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19670 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 19670 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.01 . M 19670 1 pH 7.2 . pH 19670 1 pressure 1 . atm 19670 1 temperature 298 . K 19670 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19670 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19670 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19670 1 stop_ save_ save_CS-Rosetta _Software.Sf_category software _Software.Sf_framecode CS-Rosetta _Software.Entry_ID 19670 _Software.ID 2 _Software.Name CS-Rosetta _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Vernon, Baker and Bax' . . 19670 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19670 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19670 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19670 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19670 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 19670 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 19670 _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 . 700 . . . 19670 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 19670 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19670 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19670 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19670 1 4 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19670 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19670 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19670 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19670 1 8 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19670 1 9 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19670 1 10 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19670 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 19670 _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 . . . . . . . . . 19670 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19670 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19670 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 19670 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19670 1 2 '3D HNCACB' . . . 19670 1 3 '3D CBCA(CO)NH' . . . 19670 1 4 '3D HBHA(CO)NH' . . . 19670 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 MET HA H 1 4.035 0.02 . 1 . . . A 1 MET HA . 19670 1 2 . 1 1 1 1 MET HB2 H 1 1.944 0.02 . 2 . . . A 1 MET HB2 . 19670 1 3 . 1 1 1 1 MET HB3 H 1 1.889 0.02 . 2 . . . A 1 MET HB3 . 19670 1 4 . 1 1 1 1 MET C C 13 170.394 0.20 . 1 . . . A 1 MET C . 19670 1 5 . 1 1 1 1 MET CA C 13 54.404 0.20 . 1 . . . A 1 MET CA . 19670 1 6 . 1 1 1 1 MET CB C 13 33.084 0.20 . 1 . . . A 1 MET CB . 19670 1 7 . 1 1 2 2 GLN H H 1 8.758 0.02 . 1 . . . A 2 GLN H . 19670 1 8 . 1 1 2 2 GLN HA H 1 4.945 0.02 . 1 . . . A 2 GLN HA . 19670 1 9 . 1 1 2 2 GLN HB2 H 1 1.719 0.02 . 2 . . . A 2 GLN HB2 . 19670 1 10 . 1 1 2 2 GLN HB3 H 1 1.472 0.02 . 2 . . . A 2 GLN HB3 . 19670 1 11 . 1 1 2 2 GLN C C 13 175.532 0.20 . 1 . . . A 2 GLN C . 19670 1 12 . 1 1 2 2 GLN CA C 13 55.409 0.20 . 1 . . . A 2 GLN CA . 19670 1 13 . 1 1 2 2 GLN CB C 13 30.178 0.20 . 1 . . . A 2 GLN CB . 19670 1 14 . 1 1 2 2 GLN N N 15 123.635 0.10 . 1 . . . A 2 GLN N . 19670 1 15 . 1 1 3 3 ILE H H 1 8.332 0.02 . 1 . . . A 3 ILE H . 19670 1 16 . 1 1 3 3 ILE HA H 1 4.063 0.02 . 1 . . . A 3 ILE HA . 19670 1 17 . 1 1 3 3 ILE HB H 1 1.621 0.02 . 1 . . . A 3 ILE HB . 19670 1 18 . 1 1 3 3 ILE C C 13 172.370 0.20 . 1 . . . A 3 ILE C . 19670 1 19 . 1 1 3 3 ILE CA C 13 59.419 0.20 . 1 . . . A 3 ILE CA . 19670 1 20 . 1 1 3 3 ILE CB C 13 41.887 0.20 . 1 . . . A 3 ILE CB . 19670 1 21 . 1 1 3 3 ILE N N 15 115.778 0.10 . 1 . . . A 3 ILE N . 19670 1 22 . 1 1 4 4 PHE H H 1 8.530 0.02 . 1 . . . A 4 PHE H . 19670 1 23 . 1 1 4 4 PHE HA H 1 5.520 0.02 . 1 . . . A 4 PHE HA . 19670 1 24 . 1 1 4 4 PHE HB2 H 1 2.902 0.02 . 2 . . . A 4 PHE HB2 . 19670 1 25 . 1 1 4 4 PHE HB3 H 1 2.736 0.02 . 2 . . . A 4 PHE HB3 . 19670 1 26 . 1 1 4 4 PHE C C 13 175.137 0.20 . 1 . . . A 4 PHE C . 19670 1 27 . 1 1 4 4 PHE CA C 13 54.970 0.20 . 1 . . . A 4 PHE CA . 19670 1 28 . 1 1 4 4 PHE CB C 13 41.073 0.20 . 1 . . . A 4 PHE CB . 19670 1 29 . 1 1 4 4 PHE N N 15 118.678 0.10 . 1 . . . A 4 PHE N . 19670 1 30 . 1 1 5 5 VAL H H 1 9.109 0.02 . 1 . . . A 5 VAL H . 19670 1 31 . 1 1 5 5 VAL HA H 1 4.687 0.02 . 1 . . . A 5 VAL HA . 19670 1 32 . 1 1 5 5 VAL HB H 1 1.745 0.02 . 1 . . . A 5 VAL HB . 19670 1 33 . 1 1 5 5 VAL C C 13 174.525 0.20 . 1 . . . A 5 VAL C . 19670 1 34 . 1 1 5 5 VAL CA C 13 60.407 0.20 . 1 . . . A 5 VAL CA . 19670 1 35 . 1 1 5 5 VAL CB C 13 33.966 0.20 . 1 . . . A 5 VAL CB . 19670 1 36 . 1 1 5 5 VAL N N 15 120.916 0.10 . 1 . . . A 5 VAL N . 19670 1 37 . 1 1 6 6 ARG H H 1 8.931 0.02 . 1 . . . A 6 ARG H . 19670 1 38 . 1 1 6 6 ARG HA H 1 4.951 0.02 . 1 . . . A 6 ARG HA . 19670 1 39 . 1 1 6 6 ARG HB2 H 1 1.549 0.02 . 2 . . . A 6 ARG HB2 . 19670 1 40 . 1 1 6 6 ARG HB3 H 1 1.263 0.02 . 2 . . . A 6 ARG HB3 . 19670 1 41 . 1 1 6 6 ARG C C 13 176.473 0.20 . 1 . . . A 6 ARG C . 19670 1 42 . 1 1 6 6 ARG CA C 13 54.545 0.20 . 1 . . . A 6 ARG CA . 19670 1 43 . 1 1 6 6 ARG CB C 13 31.226 0.20 . 1 . . . A 6 ARG CB . 19670 1 44 . 1 1 6 6 ARG N N 15 128.471 0.10 . 1 . . . A 6 ARG N . 19670 1 45 . 1 1 7 7 THR H H 1 8.670 0.02 . 1 . . . A 7 THR H . 19670 1 46 . 1 1 7 7 THR HA H 1 4.648 0.02 . 1 . . . A 7 THR HA . 19670 1 47 . 1 1 7 7 THR C C 13 176.629 0.20 . 1 . . . A 7 THR C . 19670 1 48 . 1 1 7 7 THR CA C 13 60.971 0.20 . 1 . . . A 7 THR CA . 19670 1 49 . 1 1 7 7 THR CB C 13 70.259 0.20 . 1 . . . A 7 THR CB . 19670 1 50 . 1 1 7 7 THR N N 15 117.140 0.10 . 1 . . . A 7 THR N . 19670 1 51 . 1 1 8 8 LEU H H 1 9.002 0.02 . 1 . . . A 8 LEU H . 19670 1 52 . 1 1 8 8 LEU HA H 1 4.118 0.02 . 1 . . . A 8 LEU HA . 19670 1 53 . 1 1 8 8 LEU HB2 H 1 1.770 0.02 . 2 . . . A 8 LEU HB2 . 19670 1 54 . 1 1 8 8 LEU HB3 H 1 1.574 0.02 . 2 . . . A 8 LEU HB3 . 19670 1 55 . 1 1 8 8 LEU C C 13 178.830 0.20 . 1 . . . A 8 LEU C . 19670 1 56 . 1 1 8 8 LEU CA C 13 57.619 0.20 . 1 . . . A 8 LEU CA . 19670 1 57 . 1 1 8 8 LEU CB C 13 41.881 0.20 . 1 . . . A 8 LEU CB . 19670 1 58 . 1 1 8 8 LEU N N 15 120.643 0.10 . 1 . . . A 8 LEU N . 19670 1 59 . 1 1 9 9 THR H H 1 7.500 0.02 . 1 . . . A 9 THR H . 19670 1 60 . 1 1 9 9 THR HA H 1 4.429 0.02 . 1 . . . A 9 THR HA . 19670 1 61 . 1 1 9 9 THR HB H 1 4.265 0.02 . 1 . . . A 9 THR HB . 19670 1 62 . 1 1 9 9 THR C C 13 175.393 0.20 . 1 . . . A 9 THR C . 19670 1 63 . 1 1 9 9 THR CA C 13 61.346 0.20 . 1 . . . A 9 THR CA . 19670 1 64 . 1 1 9 9 THR CB C 13 69.219 0.20 . 1 . . . A 9 THR CB . 19670 1 65 . 1 1 9 9 THR N N 15 105.578 0.10 . 1 . . . A 9 THR N . 19670 1 66 . 1 1 10 10 GLY H H 1 7.781 0.02 . 1 . . . A 10 GLY H . 19670 1 67 . 1 1 10 10 GLY HA2 H 1 4.194 0.02 . 2 . . . A 10 GLY HA2 . 19670 1 68 . 1 1 10 10 GLY HA3 H 1 3.379 0.02 . 2 . . . A 10 GLY HA3 . 19670 1 69 . 1 1 10 10 GLY C C 13 173.877 0.20 . 1 . . . A 10 GLY C . 19670 1 70 . 1 1 10 10 GLY CA C 13 45.130 0.20 . 1 . . . A 10 GLY CA . 19670 1 71 . 1 1 10 10 GLY N N 15 109.475 0.10 . 1 . . . A 10 GLY N . 19670 1 72 . 1 1 11 11 ARG H H 1 7.098 0.02 . 1 . . . A 11 ARG H . 19670 1 73 . 1 1 11 11 ARG HA H 1 4.244 0.02 . 1 . . . A 11 ARG HA . 19670 1 74 . 1 1 11 11 ARG HB2 H 1 1.582 0.02 . 2 . . . A 11 ARG HB2 . 19670 1 75 . 1 1 11 11 ARG HB3 H 1 1.582 0.02 . 2 . . . A 11 ARG HB3 . 19670 1 76 . 1 1 11 11 ARG C C 13 175.467 0.20 . 1 . . . A 11 ARG C . 19670 1 77 . 1 1 11 11 ARG CA C 13 56.011 0.20 . 1 . . . A 11 ARG CA . 19670 1 78 . 1 1 11 11 ARG CB C 13 30.820 0.20 . 1 . . . A 11 ARG CB . 19670 1 79 . 1 1 11 11 ARG N N 15 120.940 0.10 . 1 . . . A 11 ARG N . 19670 1 80 . 1 1 12 12 THR H H 1 8.600 0.02 . 1 . . . A 12 THR H . 19670 1 81 . 1 1 12 12 THR HA H 1 5.051 0.02 . 1 . . . A 12 THR HA . 19670 1 82 . 1 1 12 12 THR HB H 1 3.776 0.02 . 1 . . . A 12 THR HB . 19670 1 83 . 1 1 12 12 THR C C 13 174.290 0.20 . 1 . . . A 12 THR C . 19670 1 84 . 1 1 12 12 THR CA C 13 62.090 0.20 . 1 . . . A 12 THR CA . 19670 1 85 . 1 1 12 12 THR CB C 13 70.059 0.20 . 1 . . . A 12 THR CB . 19670 1 86 . 1 1 12 12 THR N N 15 120.414 0.10 . 1 . . . A 12 THR N . 19670 1 87 . 1 1 13 13 ILE H H 1 9.204 0.02 . 1 . . . A 13 ILE H . 19670 1 88 . 1 1 13 13 ILE HA H 1 4.445 0.02 . 1 . . . A 13 ILE HA . 19670 1 89 . 1 1 13 13 ILE HB H 1 1.745 0.02 . 1 . . . A 13 ILE HB . 19670 1 90 . 1 1 13 13 ILE C C 13 174.782 0.20 . 1 . . . A 13 ILE C . 19670 1 91 . 1 1 13 13 ILE CA C 13 59.820 0.20 . 1 . . . A 13 ILE CA . 19670 1 92 . 1 1 13 13 ILE CB C 13 40.712 0.20 . 1 . . . A 13 ILE CB . 19670 1 93 . 1 1 13 13 ILE N N 15 125.441 0.10 . 1 . . . A 13 ILE N . 19670 1 94 . 1 1 14 14 THR H H 1 8.568 0.02 . 1 . . . A 14 THR H . 19670 1 95 . 1 1 14 14 THR HA H 1 4.894 0.02 . 1 . . . A 14 THR HA . 19670 1 96 . 1 1 14 14 THR HB H 1 3.902 0.02 . 1 . . . A 14 THR HB . 19670 1 97 . 1 1 14 14 THR C C 13 173.625 0.20 . 1 . . . A 14 THR C . 19670 1 98 . 1 1 14 14 THR CA C 13 61.686 0.20 . 1 . . . A 14 THR CA . 19670 1 99 . 1 1 14 14 THR CB C 13 69.707 0.20 . 1 . . . A 14 THR CB . 19670 1 100 . 1 1 14 14 THR N N 15 120.088 0.10 . 1 . . . A 14 THR N . 19670 1 101 . 1 1 15 15 LEU H H 1 8.682 0.02 . 1 . . . A 15 LEU H . 19670 1 102 . 1 1 15 15 LEU HA H 1 4.528 0.02 . 1 . . . A 15 LEU HA . 19670 1 103 . 1 1 15 15 LEU C C 13 174.050 0.20 . 1 . . . A 15 LEU C . 19670 1 104 . 1 1 15 15 LEU CA C 13 53.150 0.20 . 1 . . . A 15 LEU CA . 19670 1 105 . 1 1 15 15 LEU CB C 13 46.445 0.20 . 1 . . . A 15 LEU CB . 19670 1 106 . 1 1 15 15 LEU N N 15 125.924 0.10 . 1 . . . A 15 LEU N . 19670 1 107 . 1 1 16 16 GLU H H 1 8.091 0.02 . 1 . . . A 16 GLU H . 19670 1 108 . 1 1 16 16 GLU HA H 1 4.722 0.02 . 1 . . . A 16 GLU HA . 19670 1 109 . 1 1 16 16 GLU HB2 H 1 1.732 0.02 . 2 . . . A 16 GLU HB2 . 19670 1 110 . 1 1 16 16 GLU HB3 H 1 1.732 0.02 . 2 . . . A 16 GLU HB3 . 19670 1 111 . 1 1 16 16 GLU C C 13 175.933 0.20 . 1 . . . A 16 GLU C . 19670 1 112 . 1 1 16 16 GLU CA C 13 54.968 0.20 . 1 . . . A 16 GLU CA . 19670 1 113 . 1 1 16 16 GLU CB C 13 29.344 0.20 . 1 . . . A 16 GLU CB . 19670 1 114 . 1 1 16 16 GLU N N 15 123.280 0.10 . 1 . . . A 16 GLU N . 19670 1 115 . 1 1 17 17 VAL H H 1 8.834 0.02 . 1 . . . A 17 VAL H . 19670 1 116 . 1 1 17 17 VAL HA H 1 4.599 0.02 . 1 . . . A 17 VAL HA . 19670 1 117 . 1 1 17 17 VAL HB H 1 2.185 0.02 . 1 . . . A 17 VAL HB . 19670 1 118 . 1 1 17 17 VAL C C 13 174.040 0.20 . 1 . . . A 17 VAL C . 19670 1 119 . 1 1 17 17 VAL CA C 13 58.568 0.20 . 1 . . . A 17 VAL CA . 19670 1 120 . 1 1 17 17 VAL CB C 13 35.917 0.20 . 1 . . . A 17 VAL CB . 19670 1 121 . 1 1 17 17 VAL N N 15 118.847 0.10 . 1 . . . A 17 VAL N . 19670 1 122 . 1 1 18 18 GLU H H 1 8.506 0.02 . 1 . . . A 18 GLU H . 19670 1 123 . 1 1 18 18 GLU C C 13 176.152 0.20 . 1 . . . A 18 GLU C . 19670 1 124 . 1 1 18 18 GLU CA C 13 52.757 0.20 . 1 . . . A 18 GLU CA . 19670 1 125 . 1 1 18 18 GLU CB C 13 30.527 0.20 . 1 . . . A 18 GLU CB . 19670 1 126 . 1 1 18 18 GLU N N 15 119.485 0.10 . 1 . . . A 18 GLU N . 19670 1 127 . 1 1 19 19 PRO HA H 1 3.961 0.02 . 1 . . . A 19 PRO HA . 19670 1 128 . 1 1 19 19 PRO HB2 H 1 2.280 0.02 . 2 . . . A 19 PRO HB2 . 19670 1 129 . 1 1 19 19 PRO HB3 H 1 1.867 0.02 . 2 . . . A 19 PRO HB3 . 19670 1 130 . 1 1 19 19 PRO C C 13 175.090 0.20 . 1 . . . A 19 PRO C . 19670 1 131 . 1 1 19 19 PRO CA C 13 65.194 0.20 . 1 . . . A 19 PRO CA . 19670 1 132 . 1 1 19 19 PRO CB C 13 31.706 0.20 . 1 . . . A 19 PRO CB . 19670 1 133 . 1 1 20 20 SER H H 1 6.925 0.02 . 1 . . . A 20 SER H . 19670 1 134 . 1 1 20 20 SER HA H 1 4.224 0.02 . 1 . . . A 20 SER HA . 19670 1 135 . 1 1 20 20 SER HB2 H 1 4.015 0.02 . 2 . . . A 20 SER HB2 . 19670 1 136 . 1 1 20 20 SER HB3 H 1 3.633 0.02 . 2 . . . A 20 SER HB3 . 19670 1 137 . 1 1 20 20 SER C C 13 174.223 0.20 . 1 . . . A 20 SER C . 19670 1 138 . 1 1 20 20 SER CA C 13 57.265 0.20 . 1 . . . A 20 SER CA . 19670 1 139 . 1 1 20 20 SER CB C 13 63.366 0.20 . 1 . . . A 20 SER CB . 19670 1 140 . 1 1 20 20 SER N N 15 103.878 0.10 . 1 . . . A 20 SER N . 19670 1 141 . 1 1 21 21 ASP H H 1 7.887 0.02 . 1 . . . A 21 ASP H . 19670 1 142 . 1 1 21 21 ASP HA H 1 4.525 0.02 . 1 . . . A 21 ASP HA . 19670 1 143 . 1 1 21 21 ASP HB2 H 1 2.750 0.02 . 2 . . . A 21 ASP HB2 . 19670 1 144 . 1 1 21 21 ASP HB3 H 1 2.360 0.02 . 2 . . . A 21 ASP HB3 . 19670 1 145 . 1 1 21 21 ASP C C 13 175.982 0.20 . 1 . . . A 21 ASP C . 19670 1 146 . 1 1 21 21 ASP CA C 13 55.545 0.20 . 1 . . . A 21 ASP CA . 19670 1 147 . 1 1 21 21 ASP CB C 13 40.785 0.20 . 1 . . . A 21 ASP CB . 19670 1 148 . 1 1 21 21 ASP N N 15 123.859 0.10 . 1 . . . A 21 ASP N . 19670 1 149 . 1 1 22 22 THR H H 1 7.887 0.02 . 1 . . . A 22 THR H . 19670 1 150 . 1 1 22 22 THR HA H 1 4.673 0.02 . 1 . . . A 22 THR HA . 19670 1 151 . 1 1 22 22 THR HB H 1 4.561 0.02 . 1 . . . A 22 THR HB . 19670 1 152 . 1 1 22 22 THR C C 13 176.690 0.20 . 1 . . . A 22 THR C . 19670 1 153 . 1 1 22 22 THR CA C 13 59.642 0.20 . 1 . . . A 22 THR CA . 19670 1 154 . 1 1 22 22 THR CB C 13 71.029 0.20 . 1 . . . A 22 THR CB . 19670 1 155 . 1 1 22 22 THR N N 15 109.042 0.10 . 1 . . . A 22 THR N . 19670 1 156 . 1 1 23 23 ILE H H 1 8.405 0.02 . 1 . . . A 23 ILE H . 19670 1 157 . 1 1 23 23 ILE C C 13 178.601 0.20 . 1 . . . A 23 ILE C . 19670 1 158 . 1 1 23 23 ILE CA C 13 62.172 0.20 . 1 . . . A 23 ILE CA . 19670 1 159 . 1 1 23 23 ILE CB C 13 34.572 0.20 . 1 . . . A 23 ILE CB . 19670 1 160 . 1 1 23 23 ILE N N 15 120.060 0.10 . 1 . . . A 23 ILE N . 19670 1 161 . 1 1 24 24 GLU HA H 1 3.802 0.02 . 1 . . . A 24 GLU HA . 19670 1 162 . 1 1 24 24 GLU HB2 H 1 1.950 0.02 . 2 . . . A 24 GLU HB2 . 19670 1 163 . 1 1 24 24 GLU HB3 H 1 1.819 0.02 . 2 . . . A 24 GLU HB3 . 19670 1 164 . 1 1 24 24 GLU C C 13 179.319 0.20 . 1 . . . A 24 GLU C . 19670 1 165 . 1 1 24 24 GLU CA C 13 60.527 0.20 . 1 . . . A 24 GLU CA . 19670 1 166 . 1 1 24 24 GLU CB C 13 27.632 0.20 . 1 . . . A 24 GLU CB . 19670 1 167 . 1 1 25 25 ASN H H 1 7.626 0.02 . 1 . . . A 25 ASN H . 19670 1 168 . 1 1 25 25 ASN HA H 1 4.401 0.02 . 1 . . . A 25 ASN HA . 19670 1 169 . 1 1 25 25 ASN HB2 H 1 2.934 0.02 . 2 . . . A 25 ASN HB2 . 19670 1 170 . 1 1 25 25 ASN HB3 H 1 2.775 0.02 . 2 . . . A 25 ASN HB3 . 19670 1 171 . 1 1 25 25 ASN C C 13 177.799 0.20 . 1 . . . A 25 ASN C . 19670 1 172 . 1 1 25 25 ASN CA C 13 56.158 0.20 . 1 . . . A 25 ASN CA . 19670 1 173 . 1 1 25 25 ASN CB C 13 38.476 0.20 . 1 . . . A 25 ASN CB . 19670 1 174 . 1 1 25 25 ASN N N 15 122.140 0.10 . 1 . . . A 25 ASN N . 19670 1 175 . 1 1 26 26 VAL H H 1 7.850 0.02 . 1 . . . A 26 VAL H . 19670 1 176 . 1 1 26 26 VAL HA H 1 3.261 0.02 . 1 . . . A 26 VAL HA . 19670 1 177 . 1 1 26 26 VAL HB H 1 2.158 0.02 . 1 . . . A 26 VAL HB . 19670 1 178 . 1 1 26 26 VAL C C 13 177.913 0.20 . 1 . . . A 26 VAL C . 19670 1 179 . 1 1 26 26 VAL CA C 13 67.519 0.20 . 1 . . . A 26 VAL CA . 19670 1 180 . 1 1 26 26 VAL CB C 13 30.781 0.20 . 1 . . . A 26 VAL CB . 19670 1 181 . 1 1 26 26 VAL N N 15 122.256 0.10 . 1 . . . A 26 VAL N . 19670 1 182 . 1 1 27 27 ARG H H 1 8.626 0.02 . 1 . . . A 27 ARG H . 19670 1 183 . 1 1 27 27 ARG HA H 1 4.307 0.02 . 1 . . . A 27 ARG HA . 19670 1 184 . 1 1 27 27 ARG HB2 H 1 1.848 0.02 . 2 . . . A 27 ARG HB2 . 19670 1 185 . 1 1 27 27 ARG HB3 H 1 1.393 0.02 . 2 . . . A 27 ARG HB3 . 19670 1 186 . 1 1 27 27 ARG C C 13 179.974 0.20 . 1 . . . A 27 ARG C . 19670 1 187 . 1 1 27 27 ARG CA C 13 59.104 0.20 . 1 . . . A 27 ARG CA . 19670 1 188 . 1 1 27 27 ARG CB C 13 31.290 0.20 . 1 . . . A 27 ARG CB . 19670 1 189 . 1 1 27 27 ARG N N 15 117.510 0.10 . 1 . . . A 27 ARG N . 19670 1 190 . 1 1 28 28 ALA H H 1 7.729 0.02 . 1 . . . A 28 ALA H . 19670 1 191 . 1 1 28 28 ALA HA H 1 4.004 0.02 . 1 . . . A 28 ALA HA . 19670 1 192 . 1 1 28 28 ALA HB1 H 1 1.462 0.02 . 1 . . . A 28 ALA HB1 . 19670 1 193 . 1 1 28 28 ALA HB2 H 1 1.462 0.02 . 1 . . . A 28 ALA HB2 . 19670 1 194 . 1 1 28 28 ALA HB3 H 1 1.462 0.02 . 1 . . . A 28 ALA HB3 . 19670 1 195 . 1 1 28 28 ALA C C 13 179.830 0.20 . 1 . . . A 28 ALA C . 19670 1 196 . 1 1 28 28 ALA CA C 13 55.187 0.20 . 1 . . . A 28 ALA CA . 19670 1 197 . 1 1 28 28 ALA CB C 13 17.680 0.20 . 1 . . . A 28 ALA CB . 19670 1 198 . 1 1 28 28 ALA N N 15 122.219 0.10 . 1 . . . A 28 ALA N . 19670 1 199 . 1 1 29 29 ARG H H 1 7.724 0.02 . 1 . . . A 29 ARG H . 19670 1 200 . 1 1 29 29 ARG HA H 1 4.073 0.02 . 1 . . . A 29 ARG HA . 19670 1 201 . 1 1 29 29 ARG HB2 H 1 1.905 0.02 . 2 . . . A 29 ARG HB2 . 19670 1 202 . 1 1 29 29 ARG HB3 H 1 1.777 0.02 . 2 . . . A 29 ARG HB3 . 19670 1 203 . 1 1 29 29 ARG C C 13 179.777 0.20 . 1 . . . A 29 ARG C . 19670 1 204 . 1 1 29 29 ARG CA C 13 58.730 0.20 . 1 . . . A 29 ARG CA . 19670 1 205 . 1 1 29 29 ARG CB C 13 30.472 0.20 . 1 . . . A 29 ARG CB . 19670 1 206 . 1 1 29 29 ARG N N 15 118.597 0.10 . 1 . . . A 29 ARG N . 19670 1 207 . 1 1 30 30 ILE H H 1 8.083 0.02 . 1 . . . A 30 ILE H . 19670 1 208 . 1 1 30 30 ILE HA H 1 3.372 0.02 . 1 . . . A 30 ILE HA . 19670 1 209 . 1 1 30 30 ILE HB H 1 2.025 0.02 . 1 . . . A 30 ILE HB . 19670 1 210 . 1 1 30 30 ILE C C 13 177.651 0.20 . 1 . . . A 30 ILE C . 19670 1 211 . 1 1 30 30 ILE CA C 13 65.438 0.20 . 1 . . . A 30 ILE CA . 19670 1 212 . 1 1 30 30 ILE CB C 13 36.969 0.20 . 1 . . . A 30 ILE CB . 19670 1 213 . 1 1 30 30 ILE N N 15 120.180 0.10 . 1 . . . A 30 ILE N . 19670 1 214 . 1 1 31 31 GLN H H 1 8.402 0.02 . 1 . . . A 31 GLN H . 19670 1 215 . 1 1 31 31 GLN HA H 1 3.718 0.02 . 1 . . . A 31 GLN HA . 19670 1 216 . 1 1 31 31 GLN HB2 H 1 2.262 0.02 . 2 . . . A 31 GLN HB2 . 19670 1 217 . 1 1 31 31 GLN HB3 H 1 1.830 0.02 . 2 . . . A 31 GLN HB3 . 19670 1 218 . 1 1 31 31 GLN C C 13 178.407 0.20 . 1 . . . A 31 GLN C . 19670 1 219 . 1 1 31 31 GLN CA C 13 59.638 0.20 . 1 . . . A 31 GLN CA . 19670 1 220 . 1 1 31 31 GLN CB C 13 27.647 0.20 . 1 . . . A 31 GLN CB . 19670 1 221 . 1 1 31 31 GLN N N 15 122.801 0.10 . 1 . . . A 31 GLN N . 19670 1 222 . 1 1 32 32 ASP H H 1 7.927 0.02 . 1 . . . A 32 ASP H . 19670 1 223 . 1 1 32 32 ASP HA H 1 4.224 0.02 . 1 . . . A 32 ASP HA . 19670 1 224 . 1 1 32 32 ASP HB2 H 1 2.647 0.02 . 2 . . . A 32 ASP HB2 . 19670 1 225 . 1 1 32 32 ASP HB3 H 1 2.647 0.02 . 2 . . . A 32 ASP HB3 . 19670 1 226 . 1 1 32 32 ASP C C 13 177.293 0.20 . 1 . . . A 32 ASP C . 19670 1 227 . 1 1 32 32 ASP CA C 13 57.121 0.20 . 1 . . . A 32 ASP CA . 19670 1 228 . 1 1 32 32 ASP CB C 13 41.061 0.20 . 1 . . . A 32 ASP CB . 19670 1 229 . 1 1 32 32 ASP N N 15 119.437 0.10 . 1 . . . A 32 ASP N . 19670 1 230 . 1 1 33 33 ARG H H 1 7.483 0.02 . 1 . . . A 33 ARG H . 19670 1 231 . 1 1 33 33 ARG HA H 1 4.157 0.02 . 1 . . . A 33 ARG HA . 19670 1 232 . 1 1 33 33 ARG HB2 H 1 1.896 0.02 . 2 . . . A 33 ARG HB2 . 19670 1 233 . 1 1 33 33 ARG HB3 H 1 1.707 0.02 . 2 . . . A 33 ARG HB3 . 19670 1 234 . 1 1 33 33 ARG C C 13 177.476 0.20 . 1 . . . A 33 ARG C . 19670 1 235 . 1 1 33 33 ARG CA C 13 57.189 0.20 . 1 . . . A 33 ARG CA . 19670 1 236 . 1 1 33 33 ARG CB C 13 30.945 0.20 . 1 . . . A 33 ARG CB . 19670 1 237 . 1 1 33 33 ARG N N 15 115.830 0.10 . 1 . . . A 33 ARG N . 19670 1 238 . 1 1 34 34 GLU H H 1 8.494 0.02 . 1 . . . A 34 GLU H . 19670 1 239 . 1 1 34 34 GLU HA H 1 4.338 0.02 . 1 . . . A 34 GLU HA . 19670 1 240 . 1 1 34 34 GLU HB2 H 1 2.148 0.02 . 2 . . . A 34 GLU HB2 . 19670 1 241 . 1 1 34 34 GLU HB3 H 1 1.626 0.02 . 2 . . . A 34 GLU HB3 . 19670 1 242 . 1 1 34 34 GLU C C 13 177.414 0.20 . 1 . . . A 34 GLU C . 19670 1 243 . 1 1 34 34 GLU CA C 13 55.521 0.20 . 1 . . . A 34 GLU CA . 19670 1 244 . 1 1 34 34 GLU CB C 13 32.594 0.20 . 1 . . . A 34 GLU CB . 19670 1 245 . 1 1 34 34 GLU N N 15 114.542 0.10 . 1 . . . A 34 GLU N . 19670 1 246 . 1 1 35 35 GLY H H 1 8.185 0.02 . 1 . . . A 35 GLY H . 19670 1 247 . 1 1 35 35 GLY HA2 H 1 3.782 0.02 . 2 . . . A 35 GLY HA2 . 19670 1 248 . 1 1 35 35 GLY HA3 H 1 3.982 0.02 . 2 . . . A 35 GLY HA3 . 19670 1 249 . 1 1 35 35 GLY C C 13 173.805 0.20 . 1 . . . A 35 GLY C . 19670 1 250 . 1 1 35 35 GLY CA C 13 46.044 0.20 . 1 . . . A 35 GLY CA . 19670 1 251 . 1 1 35 35 GLY N N 15 109.092 0.10 . 1 . . . A 35 GLY N . 19670 1 252 . 1 1 36 36 ILE H H 1 6.068 0.02 . 1 . . . A 36 ILE H . 19670 1 253 . 1 1 36 36 ILE C C 13 173.237 0.20 . 1 . . . A 36 ILE C . 19670 1 254 . 1 1 36 36 ILE CA C 13 57.537 0.20 . 1 . . . A 36 ILE CA . 19670 1 255 . 1 1 36 36 ILE CB C 13 40.384 0.20 . 1 . . . A 36 ILE CB . 19670 1 256 . 1 1 36 36 ILE N N 15 119.935 0.10 . 1 . . . A 36 ILE N . 19670 1 257 . 1 1 38 38 PRO HA H 1 3.919 0.02 . 1 . . . A 38 PRO HA . 19670 1 258 . 1 1 38 38 PRO HB2 H 1 2.114 0.02 . 2 . . . A 38 PRO HB2 . 19670 1 259 . 1 1 38 38 PRO HB3 H 1 1.887 0.02 . 2 . . . A 38 PRO HB3 . 19670 1 260 . 1 1 38 38 PRO C C 13 177.523 0.20 . 1 . . . A 38 PRO C . 19670 1 261 . 1 1 38 38 PRO CA C 13 65.763 0.20 . 1 . . . A 38 PRO CA . 19670 1 262 . 1 1 38 38 PRO CB C 13 32.570 0.20 . 1 . . . A 38 PRO CB . 19670 1 263 . 1 1 39 39 ASP H H 1 8.301 0.02 . 1 . . . A 39 ASP H . 19670 1 264 . 1 1 39 39 ASP HA H 1 4.268 0.02 . 1 . . . A 39 ASP HA . 19670 1 265 . 1 1 39 39 ASP HB2 H 1 2.602 0.02 . 2 . . . A 39 ASP HB2 . 19670 1 266 . 1 1 39 39 ASP HB3 H 1 2.564 0.02 . 2 . . . A 39 ASP HB3 . 19670 1 267 . 1 1 39 39 ASP C C 13 176.487 0.20 . 1 . . . A 39 ASP C . 19670 1 268 . 1 1 39 39 ASP CA C 13 55.361 0.20 . 1 . . . A 39 ASP CA . 19670 1 269 . 1 1 39 39 ASP CB C 13 39.701 0.20 . 1 . . . A 39 ASP CB . 19670 1 270 . 1 1 39 39 ASP N N 15 113.259 0.10 . 1 . . . A 39 ASP N . 19670 1 271 . 1 1 40 40 GLN H H 1 7.750 0.02 . 1 . . . A 40 GLN H . 19670 1 272 . 1 1 40 40 GLN HA H 1 4.309 0.02 . 1 . . . A 40 GLN HA . 19670 1 273 . 1 1 40 40 GLN HB2 H 1 2.334 0.02 . 2 . . . A 40 GLN HB2 . 19670 1 274 . 1 1 40 40 GLN HB3 H 1 1.668 0.02 . 2 . . . A 40 GLN HB3 . 19670 1 275 . 1 1 40 40 GLN C C 13 175.138 0.20 . 1 . . . A 40 GLN C . 19670 1 276 . 1 1 40 40 GLN CA C 13 55.634 0.20 . 1 . . . A 40 GLN CA . 19670 1 277 . 1 1 40 40 GLN CB C 13 30.061 0.20 . 1 . . . A 40 GLN CB . 19670 1 278 . 1 1 40 40 GLN N N 15 116.910 0.10 . 1 . . . A 40 GLN N . 19670 1 279 . 1 1 41 41 GLN H H 1 7.353 0.02 . 1 . . . A 41 GLN H . 19670 1 280 . 1 1 41 41 GLN HA H 1 4.282 0.02 . 1 . . . A 41 GLN HA . 19670 1 281 . 1 1 41 41 GLN HB2 H 1 1.798 0.02 . 2 . . . A 41 GLN HB2 . 19670 1 282 . 1 1 41 41 GLN HB3 H 1 1.798 0.02 . 2 . . . A 41 GLN HB3 . 19670 1 283 . 1 1 41 41 GLN C C 13 175.382 0.20 . 1 . . . A 41 GLN C . 19670 1 284 . 1 1 41 41 GLN CA C 13 55.656 0.20 . 1 . . . A 41 GLN CA . 19670 1 285 . 1 1 41 41 GLN CB C 13 31.208 0.20 . 1 . . . A 41 GLN CB . 19670 1 286 . 1 1 41 41 GLN N N 15 118.112 0.10 . 1 . . . A 41 GLN N . 19670 1 287 . 1 1 42 42 ARG H H 1 8.710 0.02 . 1 . . . A 42 ARG H . 19670 1 288 . 1 1 42 42 ARG HA H 1 4.369 0.02 . 1 . . . A 42 ARG HA . 19670 1 289 . 1 1 42 42 ARG HB2 H 1 1.583 0.02 . 2 . . . A 42 ARG HB2 . 19670 1 290 . 1 1 42 42 ARG HB3 H 1 1.450 0.02 . 2 . . . A 42 ARG HB3 . 19670 1 291 . 1 1 42 42 ARG C C 13 173.501 0.20 . 1 . . . A 42 ARG C . 19670 1 292 . 1 1 42 42 ARG CA C 13 54.678 0.20 . 1 . . . A 42 ARG CA . 19670 1 293 . 1 1 42 42 ARG CB C 13 31.434 0.20 . 1 . . . A 42 ARG CB . 19670 1 294 . 1 1 42 42 ARG N N 15 123.915 0.10 . 1 . . . A 42 ARG N . 19670 1 295 . 1 1 43 43 LEU H H 1 8.565 0.02 . 1 . . . A 43 LEU H . 19670 1 296 . 1 1 43 43 LEU HA H 1 5.170 0.02 . 1 . . . A 43 LEU HA . 19670 1 297 . 1 1 43 43 LEU HB2 H 1 1.391 0.02 . 2 . . . A 43 LEU HB2 . 19670 1 298 . 1 1 43 43 LEU HB3 H 1 1.004 0.02 . 2 . . . A 43 LEU HB3 . 19670 1 299 . 1 1 43 43 LEU C C 13 175.293 0.20 . 1 . . . A 43 LEU C . 19670 1 300 . 1 1 43 43 LEU CA C 13 52.916 0.20 . 1 . . . A 43 LEU CA . 19670 1 301 . 1 1 43 43 LEU CB C 13 45.962 0.20 . 1 . . . A 43 LEU CB . 19670 1 302 . 1 1 43 43 LEU N N 15 124.217 0.10 . 1 . . . A 43 LEU N . 19670 1 303 . 1 1 44 44 ILE H H 1 9.029 0.02 . 1 . . . A 44 ILE H . 19670 1 304 . 1 1 44 44 ILE HA H 1 4.802 0.02 . 1 . . . A 44 ILE HA . 19670 1 305 . 1 1 44 44 ILE HB H 1 1.576 0.02 . 1 . . . A 44 ILE HB . 19670 1 306 . 1 1 44 44 ILE C C 13 175.437 0.20 . 1 . . . A 44 ILE C . 19670 1 307 . 1 1 44 44 ILE CA C 13 58.829 0.20 . 1 . . . A 44 ILE CA . 19670 1 308 . 1 1 44 44 ILE CB C 13 40.949 0.20 . 1 . . . A 44 ILE CB . 19670 1 309 . 1 1 44 44 ILE N N 15 122.043 0.10 . 1 . . . A 44 ILE N . 19670 1 310 . 1 1 45 45 PHE H H 1 8.749 0.02 . 1 . . . A 45 PHE H . 19670 1 311 . 1 1 45 45 PHE HA H 1 5.042 0.02 . 1 . . . A 45 PHE HA . 19670 1 312 . 1 1 45 45 PHE HB2 H 1 2.863 0.02 . 2 . . . A 45 PHE HB2 . 19670 1 313 . 1 1 45 45 PHE HB3 H 1 2.655 0.02 . 2 . . . A 45 PHE HB3 . 19670 1 314 . 1 1 45 45 PHE C C 13 174.454 0.20 . 1 . . . A 45 PHE C . 19670 1 315 . 1 1 45 45 PHE CA C 13 56.217 0.20 . 1 . . . A 45 PHE CA . 19670 1 316 . 1 1 45 45 PHE CB C 13 43.314 0.20 . 1 . . . A 45 PHE CB . 19670 1 317 . 1 1 45 45 PHE N N 15 124.468 0.10 . 1 . . . A 45 PHE N . 19670 1 318 . 1 1 46 46 ALA H H 1 8.969 0.02 . 1 . . . A 46 ALA H . 19670 1 319 . 1 1 46 46 ALA HA H 1 3.557 0.02 . 1 . . . A 46 ALA HA . 19670 1 320 . 1 1 46 46 ALA HB1 H 1 0.669 0.02 . 1 . . . A 46 ALA HB1 . 19670 1 321 . 1 1 46 46 ALA HB2 H 1 0.669 0.02 . 1 . . . A 46 ALA HB2 . 19670 1 322 . 1 1 46 46 ALA HB3 H 1 0.669 0.02 . 1 . . . A 46 ALA HB3 . 19670 1 323 . 1 1 46 46 ALA C C 13 177.125 0.20 . 1 . . . A 46 ALA C . 19670 1 324 . 1 1 46 46 ALA CA C 13 52.449 0.20 . 1 . . . A 46 ALA CA . 19670 1 325 . 1 1 46 46 ALA CB C 13 16.302 0.20 . 1 . . . A 46 ALA CB . 19670 1 326 . 1 1 46 46 ALA N N 15 133.393 0.10 . 1 . . . A 46 ALA N . 19670 1 327 . 1 1 47 47 GLY H H 1 7.904 0.02 . 1 . . . A 47 GLY H . 19670 1 328 . 1 1 47 47 GLY HA2 H 1 3.967 0.02 . 2 . . . A 47 GLY HA2 . 19670 1 329 . 1 1 47 47 GLY HA3 H 1 3.310 0.02 . 2 . . . A 47 GLY HA3 . 19670 1 330 . 1 1 47 47 GLY C C 13 173.527 0.20 . 1 . . . A 47 GLY C . 19670 1 331 . 1 1 47 47 GLY CA C 13 45.289 0.20 . 1 . . . A 47 GLY CA . 19670 1 332 . 1 1 47 47 GLY N N 15 102.291 0.10 . 1 . . . A 47 GLY N . 19670 1 333 . 1 1 48 48 ARG H H 1 7.942 0.02 . 1 . . . A 48 ARG H . 19670 1 334 . 1 1 48 48 ARG HA H 1 4.483 0.02 . 1 . . . A 48 ARG HA . 19670 1 335 . 1 1 48 48 ARG HB2 H 1 1.820 0.02 . 2 . . . A 48 ARG HB2 . 19670 1 336 . 1 1 48 48 ARG HB3 H 1 1.820 0.02 . 2 . . . A 48 ARG HB3 . 19670 1 337 . 1 1 48 48 ARG C C 13 174.250 0.20 . 1 . . . A 48 ARG C . 19670 1 338 . 1 1 48 48 ARG CA C 13 54.536 0.20 . 1 . . . A 48 ARG CA . 19670 1 339 . 1 1 48 48 ARG CB C 13 32.334 0.20 . 1 . . . A 48 ARG CB . 19670 1 340 . 1 1 48 48 ARG N N 15 121.697 0.10 . 1 . . . A 48 ARG N . 19670 1 341 . 1 1 49 49 GLN H H 1 8.588 0.02 . 1 . . . A 49 GLN H . 19670 1 342 . 1 1 49 49 GLN HA H 1 4.433 0.02 . 1 . . . A 49 GLN HA . 19670 1 343 . 1 1 49 49 GLN HB2 H 1 1.852 0.02 . 2 . . . A 49 GLN HB2 . 19670 1 344 . 1 1 49 49 GLN HB3 H 1 1.852 0.02 . 2 . . . A 49 GLN HB3 . 19670 1 345 . 1 1 49 49 GLN C C 13 175.217 0.20 . 1 . . . A 49 GLN C . 19670 1 346 . 1 1 49 49 GLN CA C 13 55.824 0.20 . 1 . . . A 49 GLN CA . 19670 1 347 . 1 1 49 49 GLN CB C 13 29.378 0.20 . 1 . . . A 49 GLN CB . 19670 1 348 . 1 1 49 49 GLN N N 15 123.423 0.10 . 1 . . . A 49 GLN N . 19670 1 349 . 1 1 50 50 LEU H H 1 8.444 0.02 . 1 . . . A 50 LEU H . 19670 1 350 . 1 1 50 50 LEU HA H 1 3.896 0.02 . 1 . . . A 50 LEU HA . 19670 1 351 . 1 1 50 50 LEU HB2 H 1 1.356 0.02 . 2 . . . A 50 LEU HB2 . 19670 1 352 . 1 1 50 50 LEU HB3 H 1 0.799 0.02 . 2 . . . A 50 LEU HB3 . 19670 1 353 . 1 1 50 50 LEU C C 13 176.680 0.20 . 1 . . . A 50 LEU C . 19670 1 354 . 1 1 50 50 LEU CA C 13 54.287 0.20 . 1 . . . A 50 LEU CA . 19670 1 355 . 1 1 50 50 LEU CB C 13 41.317 0.20 . 1 . . . A 50 LEU CB . 19670 1 356 . 1 1 50 50 LEU N N 15 124.828 0.10 . 1 . . . A 50 LEU N . 19670 1 357 . 1 1 51 51 GLU H H 1 8.250 0.02 . 1 . . . A 51 GLU H . 19670 1 358 . 1 1 51 51 GLU HA H 1 4.452 0.02 . 1 . . . A 51 GLU HA . 19670 1 359 . 1 1 51 51 GLU HB2 H 1 2.080 0.02 . 2 . . . A 51 GLU HB2 . 19670 1 360 . 1 1 51 51 GLU HB3 H 1 1.731 0.02 . 2 . . . A 51 GLU HB3 . 19670 1 361 . 1 1 51 51 GLU C C 13 174.438 0.20 . 1 . . . A 51 GLU C . 19670 1 362 . 1 1 51 51 GLU CA C 13 54.942 0.20 . 1 . . . A 51 GLU CA . 19670 1 363 . 1 1 51 51 GLU CB C 13 32.217 0.20 . 1 . . . A 51 GLU CB . 19670 1 364 . 1 1 51 51 GLU N N 15 123.313 0.10 . 1 . . . A 51 GLU N . 19670 1 365 . 1 1 52 52 ASP H H 1 8.285 0.02 . 1 . . . A 52 ASP H . 19670 1 366 . 1 1 52 52 ASP C C 13 177.576 0.20 . 1 . . . A 52 ASP C . 19670 1 367 . 1 1 52 52 ASP CA C 13 55.439 0.20 . 1 . . . A 52 ASP CA . 19670 1 368 . 1 1 52 52 ASP CB C 13 40.374 0.20 . 1 . . . A 52 ASP CB . 19670 1 369 . 1 1 52 52 ASP N N 15 119.305 0.10 . 1 . . . A 52 ASP N . 19670 1 370 . 1 1 53 53 GLY HA2 H 1 3.794 0.02 . 2 . . . A 53 GLY HA2 . 19670 1 371 . 1 1 53 53 GLY HA3 H 1 4.088 0.02 . 2 . . . A 53 GLY HA3 . 19670 1 372 . 1 1 53 53 GLY C C 13 174.245 0.20 . 1 . . . A 53 GLY C . 19670 1 373 . 1 1 53 53 GLY CA C 13 44.983 0.20 . 1 . . . A 53 GLY CA . 19670 1 374 . 1 1 54 54 ARG H H 1 7.236 0.02 . 1 . . . A 54 ARG H . 19670 1 375 . 1 1 54 54 ARG HA H 1 4.662 0.02 . 1 . . . A 54 ARG HA . 19670 1 376 . 1 1 54 54 ARG HB2 H 1 2.045 0.02 . 2 . . . A 54 ARG HB2 . 19670 1 377 . 1 1 54 54 ARG HB3 H 1 2.045 0.02 . 2 . . . A 54 ARG HB3 . 19670 1 378 . 1 1 54 54 ARG C C 13 175.360 0.20 . 1 . . . A 54 ARG C . 19670 1 379 . 1 1 54 54 ARG CA C 13 53.905 0.20 . 1 . . . A 54 ARG CA . 19670 1 380 . 1 1 54 54 ARG CB C 13 33.560 0.20 . 1 . . . A 54 ARG CB . 19670 1 381 . 1 1 54 54 ARG N N 15 118.866 0.10 . 1 . . . A 54 ARG N . 19670 1 382 . 1 1 55 55 THR H H 1 8.876 0.02 . 1 . . . A 55 THR H . 19670 1 383 . 1 1 55 55 THR HA H 1 5.082 0.02 . 1 . . . A 55 THR HA . 19670 1 384 . 1 1 55 55 THR HB H 1 4.403 0.02 . 1 . . . A 55 THR HB . 19670 1 385 . 1 1 55 55 THR C C 13 176.366 0.20 . 1 . . . A 55 THR C . 19670 1 386 . 1 1 55 55 THR CA C 13 59.655 0.20 . 1 . . . A 55 THR CA . 19670 1 387 . 1 1 55 55 THR CB C 13 72.290 0.20 . 1 . . . A 55 THR CB . 19670 1 388 . 1 1 55 55 THR N N 15 109.932 0.10 . 1 . . . A 55 THR N . 19670 1 389 . 1 1 56 56 LEU H H 1 8.077 0.02 . 1 . . . A 56 LEU H . 19670 1 390 . 1 1 56 56 LEU HA H 1 3.910 0.02 . 1 . . . A 56 LEU HA . 19670 1 391 . 1 1 56 56 LEU HB2 H 1 1.948 0.02 . 2 . . . A 56 LEU HB2 . 19670 1 392 . 1 1 56 56 LEU HB3 H 1 1.028 0.02 . 2 . . . A 56 LEU HB3 . 19670 1 393 . 1 1 56 56 LEU C C 13 180.572 0.20 . 1 . . . A 56 LEU C . 19670 1 394 . 1 1 56 56 LEU CA C 13 58.753 0.20 . 1 . . . A 56 LEU CA . 19670 1 395 . 1 1 56 56 LEU CB C 13 40.221 0.20 . 1 . . . A 56 LEU CB . 19670 1 396 . 1 1 56 56 LEU N N 15 118.277 0.10 . 1 . . . A 56 LEU N . 19670 1 397 . 1 1 57 57 SER H H 1 8.339 0.02 . 1 . . . A 57 SER H . 19670 1 398 . 1 1 57 57 SER HA H 1 4.103 0.02 . 1 . . . A 57 SER HA . 19670 1 399 . 1 1 57 57 SER HB2 H 1 3.661 0.02 . 2 . . . A 57 SER HB2 . 19670 1 400 . 1 1 57 57 SER HB3 H 1 3.661 0.02 . 2 . . . A 57 SER HB3 . 19670 1 401 . 1 1 57 57 SER C C 13 178.080 0.20 . 1 . . . A 57 SER C . 19670 1 402 . 1 1 57 57 SER CA C 13 61.041 0.20 . 1 . . . A 57 SER CA . 19670 1 403 . 1 1 57 57 SER CB C 13 62.472 0.20 . 1 . . . A 57 SER CB . 19670 1 404 . 1 1 57 57 SER N N 15 113.377 0.10 . 1 . . . A 57 SER N . 19670 1 405 . 1 1 58 58 ASP H H 1 7.789 0.02 . 1 . . . A 58 ASP H . 19670 1 406 . 1 1 58 58 ASP HA H 1 4.167 0.02 . 1 . . . A 58 ASP HA . 19670 1 407 . 1 1 58 58 ASP HB2 H 1 2.870 0.02 . 2 . . . A 58 ASP HB2 . 19670 1 408 . 1 1 58 58 ASP HB3 H 1 2.163 0.02 . 2 . . . A 58 ASP HB3 . 19670 1 409 . 1 1 58 58 ASP C C 13 177.173 0.20 . 1 . . . A 58 ASP C . 19670 1 410 . 1 1 58 58 ASP CA C 13 57.445 0.20 . 1 . . . A 58 ASP CA . 19670 1 411 . 1 1 58 58 ASP CB C 13 40.287 0.20 . 1 . . . A 58 ASP CB . 19670 1 412 . 1 1 58 58 ASP N N 15 124.332 0.10 . 1 . . . A 58 ASP N . 19670 1 413 . 1 1 59 59 TYR H H 1 7.183 0.02 . 1 . . . A 59 TYR H . 19670 1 414 . 1 1 59 59 TYR HA H 1 4.455 0.02 . 1 . . . A 59 TYR HA . 19670 1 415 . 1 1 59 59 TYR HB2 H 1 3.325 0.02 . 2 . . . A 59 TYR HB2 . 19670 1 416 . 1 1 59 59 TYR HB3 H 1 2.404 0.02 . 2 . . . A 59 TYR HB3 . 19670 1 417 . 1 1 59 59 TYR C C 13 174.445 0.20 . 1 . . . A 59 TYR C . 19670 1 418 . 1 1 59 59 TYR CA C 13 58.351 0.20 . 1 . . . A 59 TYR CA . 19670 1 419 . 1 1 59 59 TYR CB C 13 39.887 0.20 . 1 . . . A 59 TYR CB . 19670 1 420 . 1 1 59 59 TYR N N 15 115.807 0.10 . 1 . . . A 59 TYR N . 19670 1 421 . 1 1 60 60 ASN H H 1 8.041 0.02 . 1 . . . A 60 ASN H . 19670 1 422 . 1 1 60 60 ASN HA H 1 4.216 0.02 . 1 . . . A 60 ASN HA . 19670 1 423 . 1 1 60 60 ASN HB2 H 1 3.173 0.02 . 2 . . . A 60 ASN HB2 . 19670 1 424 . 1 1 60 60 ASN HB3 H 1 2.692 0.02 . 2 . . . A 60 ASN HB3 . 19670 1 425 . 1 1 60 60 ASN C C 13 173.986 0.20 . 1 . . . A 60 ASN C . 19670 1 426 . 1 1 60 60 ASN CA C 13 54.193 0.20 . 1 . . . A 60 ASN CA . 19670 1 427 . 1 1 60 60 ASN CB C 13 37.215 0.20 . 1 . . . A 60 ASN CB . 19670 1 428 . 1 1 60 60 ASN N N 15 115.490 0.10 . 1 . . . A 60 ASN N . 19670 1 429 . 1 1 61 61 ILE H H 1 7.016 0.02 . 1 . . . A 61 ILE H . 19670 1 430 . 1 1 61 61 ILE HA H 1 3.159 0.02 . 1 . . . A 61 ILE HA . 19670 1 431 . 1 1 61 61 ILE HB H 1 1.214 0.02 . 1 . . . A 61 ILE HB . 19670 1 432 . 1 1 61 61 ILE C C 13 174.202 0.20 . 1 . . . A 61 ILE C . 19670 1 433 . 1 1 61 61 ILE CA C 13 62.449 0.20 . 1 . . . A 61 ILE CA . 19670 1 434 . 1 1 61 61 ILE CB C 13 36.592 0.20 . 1 . . . A 61 ILE CB . 19670 1 435 . 1 1 61 61 ILE N N 15 118.811 0.10 . 1 . . . A 61 ILE N . 19670 1 436 . 1 1 62 62 GLN H H 1 7.486 0.02 . 1 . . . A 62 GLN H . 19670 1 437 . 1 1 62 62 GLN HA H 1 4.381 0.02 . 1 . . . A 62 GLN HA . 19670 1 438 . 1 1 62 62 GLN HB2 H 1 2.087 0.02 . 2 . . . A 62 GLN HB2 . 19670 1 439 . 1 1 62 62 GLN HB3 H 1 1.737 0.02 . 2 . . . A 62 GLN HB3 . 19670 1 440 . 1 1 62 62 GLN C C 13 175.245 0.20 . 1 . . . A 62 GLN C . 19670 1 441 . 1 1 62 62 GLN CA C 13 53.510 0.20 . 1 . . . A 62 GLN CA . 19670 1 442 . 1 1 62 62 GLN CB C 13 31.806 0.20 . 1 . . . A 62 GLN CB . 19670 1 443 . 1 1 62 62 GLN N N 15 124.972 0.10 . 1 . . . A 62 GLN N . 19670 1 444 . 1 1 63 63 ARG H H 1 8.331 0.02 . 1 . . . A 63 ARG H . 19670 1 445 . 1 1 63 63 ARG HA H 1 3.827 0.02 . 1 . . . A 63 ARG HA . 19670 1 446 . 1 1 63 63 ARG HB2 H 1 1.867 0.02 . 2 . . . A 63 ARG HB2 . 19670 1 447 . 1 1 63 63 ARG HB3 H 1 1.706 0.02 . 2 . . . A 63 ARG HB3 . 19670 1 448 . 1 1 63 63 ARG C C 13 175.804 0.20 . 1 . . . A 63 ARG C . 19670 1 449 . 1 1 63 63 ARG CA C 13 57.696 0.20 . 1 . . . A 63 ARG CA . 19670 1 450 . 1 1 63 63 ARG CB C 13 30.032 0.20 . 1 . . . A 63 ARG CB . 19670 1 451 . 1 1 63 63 ARG N N 15 120.380 0.10 . 1 . . . A 63 ARG N . 19670 1 452 . 1 1 64 64 GLU H H 1 9.208 0.02 . 1 . . . A 64 GLU H . 19670 1 453 . 1 1 64 64 GLU HA H 1 3.177 0.02 . 1 . . . A 64 GLU HA . 19670 1 454 . 1 1 64 64 GLU HB2 H 1 2.271 0.02 . 2 . . . A 64 GLU HB2 . 19670 1 455 . 1 1 64 64 GLU HB3 H 1 2.413 0.02 . 2 . . . A 64 GLU HB3 . 19670 1 456 . 1 1 64 64 GLU C C 13 175.039 0.20 . 1 . . . A 64 GLU C . 19670 1 457 . 1 1 64 64 GLU CA C 13 58.743 0.20 . 1 . . . A 64 GLU CA . 19670 1 458 . 1 1 64 64 GLU CB C 13 25.967 0.20 . 1 . . . A 64 GLU CB . 19670 1 459 . 1 1 64 64 GLU N N 15 115.308 0.10 . 1 . . . A 64 GLU N . 19670 1 460 . 1 1 65 65 SER H H 1 7.687 0.02 . 1 . . . A 65 SER H . 19670 1 461 . 1 1 65 65 SER HA H 1 4.481 0.02 . 1 . . . A 65 SER HA . 19670 1 462 . 1 1 65 65 SER HB2 H 1 3.744 0.02 . 2 . . . A 65 SER HB2 . 19670 1 463 . 1 1 65 65 SER HB3 H 1 3.517 0.02 . 2 . . . A 65 SER HB3 . 19670 1 464 . 1 1 65 65 SER C C 13 171.932 0.20 . 1 . . . A 65 SER C . 19670 1 465 . 1 1 65 65 SER CA C 13 61.046 0.20 . 1 . . . A 65 SER CA . 19670 1 466 . 1 1 65 65 SER CB C 13 64.853 0.20 . 1 . . . A 65 SER CB . 19670 1 467 . 1 1 65 65 SER N N 15 115.356 0.10 . 1 . . . A 65 SER N . 19670 1 468 . 1 1 66 66 THR H H 1 8.593 0.02 . 1 . . . A 66 THR H . 19670 1 469 . 1 1 66 66 THR HA H 1 5.113 0.02 . 1 . . . A 66 THR HA . 19670 1 470 . 1 1 66 66 THR HB H 1 3.920 0.02 . 1 . . . A 66 THR HB . 19670 1 471 . 1 1 66 66 THR C C 13 173.387 0.20 . 1 . . . A 66 THR C . 19670 1 472 . 1 1 66 66 THR CA C 13 62.424 0.20 . 1 . . . A 66 THR CA . 19670 1 473 . 1 1 66 66 THR CB C 13 70.200 0.20 . 1 . . . A 66 THR CB . 19670 1 474 . 1 1 66 66 THR N N 15 117.478 0.10 . 1 . . . A 66 THR N . 19670 1 475 . 1 1 67 67 LEU H H 1 9.288 0.02 . 1 . . . A 67 LEU H . 19670 1 476 . 1 1 67 67 LEU HA H 1 4.932 0.02 . 1 . . . A 67 LEU HA . 19670 1 477 . 1 1 67 67 LEU HB2 H 1 1.464 0.02 . 2 . . . A 67 LEU HB2 . 19670 1 478 . 1 1 67 67 LEU HB3 H 1 1.464 0.02 . 2 . . . A 67 LEU HB3 . 19670 1 479 . 1 1 67 67 LEU C C 13 175.084 0.20 . 1 . . . A 67 LEU C . 19670 1 480 . 1 1 67 67 LEU CA C 13 53.671 0.20 . 1 . . . A 67 LEU CA . 19670 1 481 . 1 1 67 67 LEU CB C 13 44.098 0.20 . 1 . . . A 67 LEU CB . 19670 1 482 . 1 1 67 67 LEU N N 15 127.755 0.10 . 1 . . . A 67 LEU N . 19670 1 483 . 1 1 68 68 HIS H H 1 9.097 0.02 . 1 . . . A 68 HIS H . 19670 1 484 . 1 1 68 68 HIS HA H 1 4.915 0.02 . 1 . . . A 68 HIS HA . 19670 1 485 . 1 1 68 68 HIS HB2 H 1 2.814 0.02 . 2 . . . A 68 HIS HB2 . 19670 1 486 . 1 1 68 68 HIS HB3 H 1 2.814 0.02 . 2 . . . A 68 HIS HB3 . 19670 1 487 . 1 1 68 68 HIS C C 13 174.005 0.20 . 1 . . . A 68 HIS C . 19670 1 488 . 1 1 68 68 HIS CA C 13 56.008 0.20 . 1 . . . A 68 HIS CA . 19670 1 489 . 1 1 68 68 HIS CB C 13 32.658 0.20 . 1 . . . A 68 HIS CB . 19670 1 490 . 1 1 68 68 HIS N N 15 119.986 0.10 . 1 . . . A 68 HIS N . 19670 1 491 . 1 1 69 69 LEU H H 1 8.031 0.02 . 1 . . . A 69 LEU H . 19670 1 492 . 1 1 69 69 LEU HA H 1 5.033 0.02 . 1 . . . A 69 LEU HA . 19670 1 493 . 1 1 69 69 LEU HB2 H 1 1.586 0.02 . 2 . . . A 69 LEU HB2 . 19670 1 494 . 1 1 69 69 LEU HB3 H 1 1.057 0.02 . 2 . . . A 69 LEU HB3 . 19670 1 495 . 1 1 69 69 LEU C C 13 175.250 0.20 . 1 . . . A 69 LEU C . 19670 1 496 . 1 1 69 69 LEU CA C 13 53.927 0.20 . 1 . . . A 69 LEU CA . 19670 1 497 . 1 1 69 69 LEU CB C 13 43.657 0.20 . 1 . . . A 69 LEU CB . 19670 1 498 . 1 1 69 69 LEU N N 15 123.932 0.10 . 1 . . . A 69 LEU N . 19670 1 499 . 1 1 70 70 VAL H H 1 8.940 0.02 . 1 . . . A 70 VAL H . 19670 1 500 . 1 1 70 70 VAL HA H 1 4.307 0.02 . 1 . . . A 70 VAL HA . 19670 1 501 . 1 1 70 70 VAL HB H 1 1.918 0.02 . 1 . . . A 70 VAL HB . 19670 1 502 . 1 1 70 70 VAL C C 13 174.236 0.20 . 1 . . . A 70 VAL C . 19670 1 503 . 1 1 70 70 VAL CA C 13 60.034 0.20 . 1 . . . A 70 VAL CA . 19670 1 504 . 1 1 70 70 VAL CB C 13 35.108 0.20 . 1 . . . A 70 VAL CB . 19670 1 505 . 1 1 70 70 VAL N N 15 123.453 0.10 . 1 . . . A 70 VAL N . 19670 1 506 . 1 1 71 71 LEU H H 1 8.155 0.02 . 1 . . . A 71 LEU H . 19670 1 507 . 1 1 71 71 LEU HA H 1 4.601 0.02 . 1 . . . A 71 LEU HA . 19670 1 508 . 1 1 71 71 LEU HB2 H 1 1.463 0.02 . 2 . . . A 71 LEU HB2 . 19670 1 509 . 1 1 71 71 LEU HB3 H 1 1.463 0.02 . 2 . . . A 71 LEU HB3 . 19670 1 510 . 1 1 71 71 LEU C C 13 177.607 0.20 . 1 . . . A 71 LEU C . 19670 1 511 . 1 1 71 71 LEU CA C 13 54.763 0.20 . 1 . . . A 71 LEU CA . 19670 1 512 . 1 1 71 71 LEU CB C 13 42.471 0.20 . 1 . . . A 71 LEU CB . 19670 1 513 . 1 1 71 71 LEU N N 15 123.241 0.10 . 1 . . . A 71 LEU N . 19670 1 514 . 1 1 72 72 ARG H H 1 8.365 0.02 . 1 . . . A 72 ARG H . 19670 1 515 . 1 1 72 72 ARG HA H 1 4.076 0.02 . 1 . . . A 72 ARG HA . 19670 1 516 . 1 1 72 72 ARG HB2 H 1 1.599 0.02 . 2 . . . A 72 ARG HB2 . 19670 1 517 . 1 1 72 72 ARG HB3 H 1 1.343 0.02 . 2 . . . A 72 ARG HB3 . 19670 1 518 . 1 1 72 72 ARG C C 13 175.163 0.20 . 1 . . . A 72 ARG C . 19670 1 519 . 1 1 72 72 ARG CA C 13 55.909 0.20 . 1 . . . A 72 ARG CA . 19670 1 520 . 1 1 72 72 ARG CB C 13 31.149 0.20 . 1 . . . A 72 ARG CB . 19670 1 521 . 1 1 72 72 ARG N N 15 123.839 0.10 . 1 . . . A 72 ARG N . 19670 1 522 . 1 1 73 73 LEU H H 1 8.219 0.02 . 1 . . . A 73 LEU H . 19670 1 523 . 1 1 73 73 LEU HA H 1 4.249 0.02 . 1 . . . A 73 LEU HA . 19670 1 524 . 1 1 73 73 LEU HB2 H 1 1.454 0.02 . 2 . . . A 73 LEU HB2 . 19670 1 525 . 1 1 73 73 LEU HB3 H 1 1.454 0.02 . 2 . . . A 73 LEU HB3 . 19670 1 526 . 1 1 73 73 LEU C C 13 177.192 0.20 . 1 . . . A 73 LEU C . 19670 1 527 . 1 1 73 73 LEU CA C 13 54.640 0.20 . 1 . . . A 73 LEU CA . 19670 1 528 . 1 1 73 73 LEU CB C 13 42.352 0.20 . 1 . . . A 73 LEU CB . 19670 1 529 . 1 1 73 73 LEU N N 15 124.497 0.10 . 1 . . . A 73 LEU N . 19670 1 530 . 1 1 74 74 ARG H H 1 8.334 0.02 . 1 . . . A 74 ARG H . 19670 1 531 . 1 1 74 74 ARG HA H 1 4.134 0.02 . 1 . . . A 74 ARG HA . 19670 1 532 . 1 1 74 74 ARG HB2 H 1 1.681 0.02 . 2 . . . A 74 ARG HB2 . 19670 1 533 . 1 1 74 74 ARG HB3 H 1 1.681 0.02 . 2 . . . A 74 ARG HB3 . 19670 1 534 . 1 1 74 74 ARG C C 13 176.717 0.20 . 1 . . . A 74 ARG C . 19670 1 535 . 1 1 74 74 ARG CA C 13 56.554 0.20 . 1 . . . A 74 ARG CA . 19670 1 536 . 1 1 74 74 ARG CB C 13 30.421 0.20 . 1 . . . A 74 ARG CB . 19670 1 537 . 1 1 74 74 ARG N N 15 122.174 0.10 . 1 . . . A 74 ARG N . 19670 1 538 . 1 1 75 75 GLY H H 1 8.367 0.02 . 1 . . . A 75 GLY H . 19670 1 539 . 1 1 75 75 GLY HA2 H 1 3.820 0.02 . 2 . . . A 75 GLY HA2 . 19670 1 540 . 1 1 75 75 GLY HA3 H 1 3.820 0.02 . 2 . . . A 75 GLY HA3 . 19670 1 541 . 1 1 75 75 GLY C C 13 173.443 0.20 . 1 . . . A 75 GLY C . 19670 1 542 . 1 1 75 75 GLY CA C 13 45.126 0.20 . 1 . . . A 75 GLY CA . 19670 1 543 . 1 1 75 75 GLY N N 15 111.081 0.10 . 1 . . . A 75 GLY N . 19670 1 544 . 1 1 76 76 GLY H H 1 7.822 0.02 . 1 . . . A 76 GLY H . 19670 1 545 . 1 1 76 76 GLY C C 13 178.961 0.20 . 1 . . . A 76 GLY C . 19670 1 546 . 1 1 76 76 GLY CA C 13 45.940 0.20 . 1 . . . A 76 GLY CA . 19670 1 547 . 1 1 76 76 GLY N N 15 115.063 0.10 . 1 . . . A 76 GLY N . 19670 1 stop_ save_