data_25972 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25972 _Entry.Title ; Solution structure of V26A mutant of Ubiquitin at pH 6.0 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-02-04 _Entry.Accession_date 2016-02-04 _Entry.Last_release_date 2016-05-23 _Entry.Original_release_date 2016-05-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'Solution structure of V26A mutant of Ubiquitin at pH 6.0' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Parag Surana . . . . 25972 2 Ranabir Das . . . . 25972 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' . 25972 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Ubiquitin . 25972 'V26A mutant' . 25972 'pH 6.0' . 25972 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25972 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 305 25972 '15N chemical shifts' 70 25972 '1H chemical shifts' 404 25972 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 . . 2016-07-20 2016-02-04 update BMRB 'update entry citation' 25972 1 . . 2016-05-23 2016-02-04 original author 'original release' 25972 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25973 'V26A mutant of Ubiquitin at pH 2.0' 25972 PDB 2NBD 'BMRB Entry Tracking System' 25972 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25972 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27111887 _Citation.Full_citation . _Citation.Title ; Observing a late folding intermediate of Ubiquitin at atomic resolution by NMR ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 25 _Citation.Journal_issue 8 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1438 _Citation.Page_last 1450 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Parag Surana . . . . 25972 1 2 Ranabir Das . . . . 25972 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25972 _Assembly.ID 1 _Assembly.Name 'V26A mutant of Ubiquitin at pH 6.0' _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 entity 1 $entity A . yes native no no . . . 25972 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25972 _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 ; MQIFVKTLTGKTITLEVEPS DTIENAKAKIQDKEGIPPDQ QRLIFAGKQLEDGRTLSDYN IQKESTLHLVLRLRGG ; _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 'Valine 26 to Alanine' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8548.860 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 25972 1 2 2 GLN . 25972 1 3 3 ILE . 25972 1 4 4 PHE . 25972 1 5 5 VAL . 25972 1 6 6 LYS . 25972 1 7 7 THR . 25972 1 8 8 LEU . 25972 1 9 9 THR . 25972 1 10 10 GLY . 25972 1 11 11 LYS . 25972 1 12 12 THR . 25972 1 13 13 ILE . 25972 1 14 14 THR . 25972 1 15 15 LEU . 25972 1 16 16 GLU . 25972 1 17 17 VAL . 25972 1 18 18 GLU . 25972 1 19 19 PRO . 25972 1 20 20 SER . 25972 1 21 21 ASP . 25972 1 22 22 THR . 25972 1 23 23 ILE . 25972 1 24 24 GLU . 25972 1 25 25 ASN . 25972 1 26 26 ALA . 25972 1 27 27 LYS . 25972 1 28 28 ALA . 25972 1 29 29 LYS . 25972 1 30 30 ILE . 25972 1 31 31 GLN . 25972 1 32 32 ASP . 25972 1 33 33 LYS . 25972 1 34 34 GLU . 25972 1 35 35 GLY . 25972 1 36 36 ILE . 25972 1 37 37 PRO . 25972 1 38 38 PRO . 25972 1 39 39 ASP . 25972 1 40 40 GLN . 25972 1 41 41 GLN . 25972 1 42 42 ARG . 25972 1 43 43 LEU . 25972 1 44 44 ILE . 25972 1 45 45 PHE . 25972 1 46 46 ALA . 25972 1 47 47 GLY . 25972 1 48 48 LYS . 25972 1 49 49 GLN . 25972 1 50 50 LEU . 25972 1 51 51 GLU . 25972 1 52 52 ASP . 25972 1 53 53 GLY . 25972 1 54 54 ARG . 25972 1 55 55 THR . 25972 1 56 56 LEU . 25972 1 57 57 SER . 25972 1 58 58 ASP . 25972 1 59 59 TYR . 25972 1 60 60 ASN . 25972 1 61 61 ILE . 25972 1 62 62 GLN . 25972 1 63 63 LYS . 25972 1 64 64 GLU . 25972 1 65 65 SER . 25972 1 66 66 THR . 25972 1 67 67 LEU . 25972 1 68 68 HIS . 25972 1 69 69 LEU . 25972 1 70 70 VAL . 25972 1 71 71 LEU . 25972 1 72 72 ARG . 25972 1 73 73 LEU . 25972 1 74 74 ARG . 25972 1 75 75 GLY . 25972 1 76 76 GLY . 25972 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 25972 1 . GLN 2 2 25972 1 . ILE 3 3 25972 1 . PHE 4 4 25972 1 . VAL 5 5 25972 1 . LYS 6 6 25972 1 . THR 7 7 25972 1 . LEU 8 8 25972 1 . THR 9 9 25972 1 . GLY 10 10 25972 1 . LYS 11 11 25972 1 . THR 12 12 25972 1 . ILE 13 13 25972 1 . THR 14 14 25972 1 . LEU 15 15 25972 1 . GLU 16 16 25972 1 . VAL 17 17 25972 1 . GLU 18 18 25972 1 . PRO 19 19 25972 1 . SER 20 20 25972 1 . ASP 21 21 25972 1 . THR 22 22 25972 1 . ILE 23 23 25972 1 . GLU 24 24 25972 1 . ASN 25 25 25972 1 . ALA 26 26 25972 1 . LYS 27 27 25972 1 . ALA 28 28 25972 1 . LYS 29 29 25972 1 . ILE 30 30 25972 1 . GLN 31 31 25972 1 . ASP 32 32 25972 1 . LYS 33 33 25972 1 . GLU 34 34 25972 1 . GLY 35 35 25972 1 . ILE 36 36 25972 1 . PRO 37 37 25972 1 . PRO 38 38 25972 1 . ASP 39 39 25972 1 . GLN 40 40 25972 1 . GLN 41 41 25972 1 . ARG 42 42 25972 1 . LEU 43 43 25972 1 . ILE 44 44 25972 1 . PHE 45 45 25972 1 . ALA 46 46 25972 1 . GLY 47 47 25972 1 . LYS 48 48 25972 1 . GLN 49 49 25972 1 . LEU 50 50 25972 1 . GLU 51 51 25972 1 . ASP 52 52 25972 1 . GLY 53 53 25972 1 . ARG 54 54 25972 1 . THR 55 55 25972 1 . LEU 56 56 25972 1 . SER 57 57 25972 1 . ASP 58 58 25972 1 . TYR 59 59 25972 1 . ASN 60 60 25972 1 . ILE 61 61 25972 1 . GLN 62 62 25972 1 . LYS 63 63 25972 1 . GLU 64 64 25972 1 . SER 65 65 25972 1 . THR 66 66 25972 1 . LEU 67 67 25972 1 . HIS 68 68 25972 1 . LEU 69 69 25972 1 . VAL 70 70 25972 1 . LEU 71 71 25972 1 . ARG 72 72 25972 1 . LEU 73 73 25972 1 . ARG 74 74 25972 1 . GLY 75 75 25972 1 . GLY 76 76 25972 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 25972 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25972 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 25972 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGL . . . 25972 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25972 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Ubiquitin '[U-13C; U-15N]' . . 1 $entity . . 1 . . mM . . . . 25972 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25972 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25972 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 25972 _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' 150 . mM 25972 1 pH 6.0 . pH 25972 1 pressure 1 . atm 25972 1 temperature 298 . K 25972 1 stop_ save_ ############################ # Computer software used # ############################ save_sparky _Software.Sf_category software _Software.Sf_framecode sparky _Software.Entry_ID 25972 _Software.ID 1 _Software.Name sparky _Software.Version 3.115 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25972 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25972 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25972 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Bruker Avance III HD' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 25972 _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 . 800 'Bruker Avance III HD' . . 25972 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 25972 _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 . . . . . . . . . . . . . . . . 25972 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25972 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25972 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25972 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25972 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25972 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25972 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25972 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 25972 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25972 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25972 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25972 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 25972 _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' . . . 25972 1 2 '3D HNCO' . . . 25972 1 3 '3D HNCA' . . . 25972 1 4 '3D HNCACB' . . . 25972 1 5 '3D CBCA(CO)NH' . . . 25972 1 6 '3D C(CO)NH' . . . 25972 1 7 '3D H(CCO)NH' . . . 25972 1 8 '3D 1H-15N NOESY' . . . 25972 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 4.133 0.000 . . . . . A 1 MET HA . 25972 1 2 . 1 1 1 1 MET HB2 H 1 2.502 0.000 . . . . . A 1 MET HB2 . 25972 1 3 . 1 1 1 1 MET HB3 H 1 2.502 0.000 . . . . . A 1 MET HB3 . 25972 1 4 . 1 1 1 1 MET HG2 H 1 2.502 0.000 . . . . . A 1 MET HG2 . 25972 1 5 . 1 1 1 1 MET HE1 H 1 1.934 0.000 . . . . . A 1 MET HE1 . 25972 1 6 . 1 1 1 1 MET HE2 H 1 1.934 0.000 . . . . . A 1 MET HE2 . 25972 1 7 . 1 1 1 1 MET HE3 H 1 1.934 0.000 . . . . . A 1 MET HE3 . 25972 1 8 . 1 1 1 1 MET CA C 13 51.787 0.056 . . . . . A 1 MET CA . 25972 1 9 . 1 1 1 1 MET CB C 13 30.391 0.051 . . . . . A 1 MET CB . 25972 1 10 . 1 1 1 1 MET CG C 13 28.021 0.000 . . . . . A 1 MET CG . 25972 1 11 . 1 1 2 2 GLN H H 1 8.830 0.001 . . . . . A 2 GLN H . 25972 1 12 . 1 1 2 2 GLN HA H 1 5.175 0.000 . . . . . A 2 GLN HA . 25972 1 13 . 1 1 2 2 GLN HB2 H 1 1.802 0.000 . . . . . A 2 GLN HB2 . 25972 1 14 . 1 1 2 2 GLN HB3 H 1 1.543 0.000 . . . . . A 2 GLN HB3 . 25972 1 15 . 1 1 2 2 GLN HG2 H 1 2.161 0.000 . . . . . A 2 GLN HG2 . 25972 1 16 . 1 1 2 2 GLN C C 13 173.044 0.000 . . . . . A 2 GLN C . 25972 1 17 . 1 1 2 2 GLN CA C 13 52.349 0.023 . . . . . A 2 GLN CA . 25972 1 18 . 1 1 2 2 GLN CB C 13 27.798 0.064 . . . . . A 2 GLN CB . 25972 1 19 . 1 1 2 2 GLN CG C 13 31.907 0.000 . . . . . A 2 GLN CG . 25972 1 20 . 1 1 2 2 GLN N N 15 122.844 0.014 . . . . . A 2 GLN N . 25972 1 21 . 1 1 3 3 ILE H H 1 8.271 0.001 . . . . . A 3 ILE H . 25972 1 22 . 1 1 3 3 ILE HA H 1 4.062 0.000 . . . . . A 3 ILE HA . 25972 1 23 . 1 1 3 3 ILE HB H 1 1.682 0.000 . . . . . A 3 ILE HB . 25972 1 24 . 1 1 3 3 ILE HG13 H 1 0.942 0.000 . . . . . A 3 ILE HG13 . 25972 1 25 . 1 1 3 3 ILE HG21 H 1 0.714 0.000 . . . . . A 3 ILE HG21 . 25972 1 26 . 1 1 3 3 ILE HG22 H 1 0.714 0.000 . . . . . A 3 ILE HG22 . 25972 1 27 . 1 1 3 3 ILE HG23 H 1 0.714 0.000 . . . . . A 3 ILE HG23 . 25972 1 28 . 1 1 3 3 ILE HD11 H 1 0.521 0.000 . . . . . A 3 ILE HD11 . 25972 1 29 . 1 1 3 3 ILE HD12 H 1 0.521 0.000 . . . . . A 3 ILE HD12 . 25972 1 30 . 1 1 3 3 ILE HD13 H 1 0.521 0.000 . . . . . A 3 ILE HD13 . 25972 1 31 . 1 1 3 3 ILE C C 13 169.741 0.000 . . . . . A 3 ILE C . 25972 1 32 . 1 1 3 3 ILE CA C 13 56.746 0.020 . . . . . A 3 ILE CA . 25972 1 33 . 1 1 3 3 ILE CB C 13 38.972 0.015 . . . . . A 3 ILE CB . 25972 1 34 . 1 1 3 3 ILE CG2 C 13 15.238 0.000 . . . . . A 3 ILE CG2 . 25972 1 35 . 1 1 3 3 ILE CD1 C 13 11.280 0.000 . . . . . A 3 ILE CD1 . 25972 1 36 . 1 1 3 3 ILE N N 15 115.593 0.017 . . . . . A 3 ILE N . 25972 1 37 . 1 1 4 4 PHE H H 1 8.567 0.001 . . . . . A 4 PHE H . 25972 1 38 . 1 1 4 4 PHE HA H 1 5.522 0.000 . . . . . A 4 PHE HA . 25972 1 39 . 1 1 4 4 PHE HB2 H 1 2.964 0.000 . . . . . A 4 PHE HB2 . 25972 1 40 . 1 1 4 4 PHE HB3 H 1 2.784 0.000 . . . . . A 4 PHE HB3 . 25972 1 41 . 1 1 4 4 PHE C C 13 172.315 0.000 . . . . . A 4 PHE C . 25972 1 42 . 1 1 4 4 PHE CA C 13 52.589 0.014 . . . . . A 4 PHE CA . 25972 1 43 . 1 1 4 4 PHE CB C 13 38.581 0.023 . . . . . A 4 PHE CB . 25972 1 44 . 1 1 4 4 PHE N N 15 118.748 0.016 . . . . . A 4 PHE N . 25972 1 45 . 1 1 5 5 VAL H H 1 9.265 0.002 . . . . . A 5 VAL H . 25972 1 46 . 1 1 5 5 VAL HA H 1 4.650 0.000 . . . . . A 5 VAL HA . 25972 1 47 . 1 1 5 5 VAL HB H 1 1.839 0.000 . . . . . A 5 VAL HB . 25972 1 48 . 1 1 5 5 VAL HG11 H 1 0.627 0.000 . . . . . A 5 VAL HG11 . 25972 1 49 . 1 1 5 5 VAL HG12 H 1 0.627 0.000 . . . . . A 5 VAL HG12 . 25972 1 50 . 1 1 5 5 VAL HG13 H 1 0.627 0.000 . . . . . A 5 VAL HG13 . 25972 1 51 . 1 1 5 5 VAL HG21 H 1 0.627 0.000 . . . . . A 5 VAL HG21 . 25972 1 52 . 1 1 5 5 VAL HG22 H 1 0.627 0.000 . . . . . A 5 VAL HG22 . 25972 1 53 . 1 1 5 5 VAL HG23 H 1 0.627 0.000 . . . . . A 5 VAL HG23 . 25972 1 54 . 1 1 5 5 VAL C C 13 172.057 0.000 . . . . . A 5 VAL C . 25972 1 55 . 1 1 5 5 VAL CA C 13 57.736 0.013 . . . . . A 5 VAL CA . 25972 1 56 . 1 1 5 5 VAL CB C 13 31.447 0.008 . . . . . A 5 VAL CB . 25972 1 57 . 1 1 5 5 VAL CG1 C 13 19.752 0.000 . . . . . A 5 VAL CG1 . 25972 1 58 . 1 1 5 5 VAL CG2 C 13 18.017 0.000 . . . . . A 5 VAL CG2 . 25972 1 59 . 1 1 5 5 VAL N N 15 121.330 0.013 . . . . . A 5 VAL N . 25972 1 60 . 1 1 6 6 LYS H H 1 8.877 0.008 . . . . . A 6 LYS H . 25972 1 61 . 1 1 6 6 LYS HA H 1 5.198 0.000 . . . . . A 6 LYS HA . 25972 1 62 . 1 1 6 6 LYS HB2 H 1 1.595 0.000 . . . . . A 6 LYS HB2 . 25972 1 63 . 1 1 6 6 LYS HB3 H 1 1.595 0.000 . . . . . A 6 LYS HB3 . 25972 1 64 . 1 1 6 6 LYS HG2 H 1 1.213 0.000 . . . . . A 6 LYS HG2 . 25972 1 65 . 1 1 6 6 LYS HG3 H 1 1.213 0.000 . . . . . A 6 LYS HG3 . 25972 1 66 . 1 1 6 6 LYS HD2 H 1 1.348 0.000 . . . . . A 6 LYS HD2 . 25972 1 67 . 1 1 6 6 LYS HD3 H 1 1.348 0.000 . . . . . A 6 LYS HD3 . 25972 1 68 . 1 1 6 6 LYS HE2 H 1 2.813 0.000 . . . . . A 6 LYS HE2 . 25972 1 69 . 1 1 6 6 LYS HE3 H 1 2.813 0.000 . . . . . A 6 LYS HE3 . 25972 1 70 . 1 1 6 6 LYS C C 13 174.397 0.000 . . . . . A 6 LYS C . 25972 1 71 . 1 1 6 6 LYS CA C 13 51.909 0.032 . . . . . A 6 LYS CA . 25972 1 72 . 1 1 6 6 LYS CB C 13 31.628 0.051 . . . . . A 6 LYS CB . 25972 1 73 . 1 1 6 6 LYS CG C 13 22.303 0.000 . . . . . A 6 LYS CG . 25972 1 74 . 1 1 6 6 LYS CD C 13 26.479 0.000 . . . . . A 6 LYS CD . 25972 1 75 . 1 1 6 6 LYS CE C 13 39.318 0.000 . . . . . A 6 LYS CE . 25972 1 76 . 1 1 6 6 LYS N N 15 127.748 0.011 . . . . . A 6 LYS N . 25972 1 77 . 1 1 7 7 THR H H 1 8.665 0.001 . . . . . A 7 THR H . 25972 1 78 . 1 1 7 7 THR HA H 1 4.834 0.000 . . . . . A 7 THR HA . 25972 1 79 . 1 1 7 7 THR HB H 1 4.725 0.000 . . . . . A 7 THR HB . 25972 1 80 . 1 1 7 7 THR HG21 H 1 1.089 0.000 . . . . . A 7 THR HG21 . 25972 1 81 . 1 1 7 7 THR HG22 H 1 1.089 0.000 . . . . . A 7 THR HG22 . 25972 1 82 . 1 1 7 7 THR HG23 H 1 1.089 0.000 . . . . . A 7 THR HG23 . 25972 1 83 . 1 1 7 7 THR C C 13 174.188 0.000 . . . . . A 7 THR C . 25972 1 84 . 1 1 7 7 THR CA C 13 57.716 0.083 . . . . . A 7 THR CA . 25972 1 85 . 1 1 7 7 THR CB C 13 67.853 0.005 . . . . . A 7 THR CB . 25972 1 86 . 1 1 7 7 THR CG2 C 13 18.752 0.000 . . . . . A 7 THR CG2 . 25972 1 87 . 1 1 7 7 THR N N 15 115.238 0.016 . . . . . A 7 THR N . 25972 1 88 . 1 1 8 8 LEU H H 1 9.081 0.002 . . . . . A 8 LEU H . 25972 1 89 . 1 1 8 8 LEU HA H 1 4.214 0.000 . . . . . A 8 LEU HA . 25972 1 90 . 1 1 8 8 LEU HB2 H 1 1.841 0.000 . . . . . A 8 LEU HB2 . 25972 1 91 . 1 1 8 8 LEU HB3 H 1 1.841 0.000 . . . . . A 8 LEU HB3 . 25972 1 92 . 1 1 8 8 LEU HG H 1 1.676 0.000 . . . . . A 8 LEU HG . 25972 1 93 . 1 1 8 8 LEU HD11 H 1 0.929 0.000 . . . . . A 8 LEU HD11 . 25972 1 94 . 1 1 8 8 LEU HD12 H 1 0.929 0.000 . . . . . A 8 LEU HD12 . 25972 1 95 . 1 1 8 8 LEU HD13 H 1 0.929 0.000 . . . . . A 8 LEU HD13 . 25972 1 96 . 1 1 8 8 LEU HD21 H 1 0.929 0.000 . . . . . A 8 LEU HD21 . 25972 1 97 . 1 1 8 8 LEU HD22 H 1 0.929 0.000 . . . . . A 8 LEU HD22 . 25972 1 98 . 1 1 8 8 LEU HD23 H 1 0.929 0.000 . . . . . A 8 LEU HD23 . 25972 1 99 . 1 1 8 8 LEU C C 13 176.092 0.000 . . . . . A 8 LEU C . 25972 1 100 . 1 1 8 8 LEU CA C 13 54.818 0.026 . . . . . A 8 LEU CA . 25972 1 101 . 1 1 8 8 LEU CB C 13 39.197 0.006 . . . . . A 8 LEU CB . 25972 1 102 . 1 1 8 8 LEU CG C 13 24.707 0.000 . . . . . A 8 LEU CG . 25972 1 103 . 1 1 8 8 LEU CD1 C 13 22.568 0.000 . . . . . A 8 LEU CD1 . 25972 1 104 . 1 1 8 8 LEU CD2 C 13 21.223 0.000 . . . . . A 8 LEU CD2 . 25972 1 105 . 1 1 8 8 LEU N N 15 121.464 0.020 . . . . . A 8 LEU N . 25972 1 106 . 1 1 9 9 THR H H 1 7.576 0.001 . . . . . A 9 THR H . 25972 1 107 . 1 1 9 9 THR HA H 1 4.501 0.000 . . . . . A 9 THR HA . 25972 1 108 . 1 1 9 9 THR HB H 1 4.333 0.000 . . . . . A 9 THR HB . 25972 1 109 . 1 1 9 9 THR HG21 H 1 1.178 0.000 . . . . . A 9 THR HG21 . 25972 1 110 . 1 1 9 9 THR HG22 H 1 1.178 0.000 . . . . . A 9 THR HG22 . 25972 1 111 . 1 1 9 9 THR HG23 H 1 1.178 0.000 . . . . . A 9 THR HG23 . 25972 1 112 . 1 1 9 9 THR C C 13 170.883 0.000 . . . . . A 9 THR C . 25972 1 113 . 1 1 9 9 THR CA C 13 58.697 0.039 . . . . . A 9 THR CA . 25972 1 114 . 1 1 9 9 THR CB C 13 66.378 0.015 . . . . . A 9 THR CB . 25972 1 115 . 1 1 9 9 THR CG2 C 13 19.137 0.000 . . . . . A 9 THR CG2 . 25972 1 116 . 1 1 9 9 THR N N 15 105.883 0.019 . . . . . A 9 THR N . 25972 1 117 . 1 1 10 10 GLY H H 1 7.715 0.174 . . . . . A 10 GLY H . 25972 1 118 . 1 1 10 10 GLY HA2 H 1 4.253 0.000 . . . . . A 10 GLY HA2 . 25972 1 119 . 1 1 10 10 GLY HA3 H 1 3.526 0.000 . . . . . A 10 GLY HA3 . 25972 1 120 . 1 1 10 10 GLY C C 13 171.238 0.000 . . . . . A 10 GLY C . 25972 1 121 . 1 1 10 10 GLY CA C 13 42.672 0.010 . . . . . A 10 GLY CA . 25972 1 122 . 1 1 10 10 GLY N N 15 109.808 1.888 . . . . . A 10 GLY N . 25972 1 123 . 1 1 11 11 LYS H H 1 7.203 0.001 . . . . . A 11 LYS H . 25972 1 124 . 1 1 11 11 LYS HA H 1 4.260 0.000 . . . . . A 11 LYS HA . 25972 1 125 . 1 1 11 11 LYS HB2 H 1 1.666 0.000 . . . . . A 11 LYS HB2 . 25972 1 126 . 1 1 11 11 LYS HB3 H 1 1.590 0.000 . . . . . A 11 LYS HB3 . 25972 1 127 . 1 1 11 11 LYS HG2 H 1 1.332 0.000 . . . . . A 11 LYS HG2 . 25972 1 128 . 1 1 11 11 LYS HD2 H 1 1.143 0.000 . . . . . A 11 LYS HD2 . 25972 1 129 . 1 1 11 11 LYS HE2 H 1 2.831 0.000 . . . . . A 11 LYS HE2 . 25972 1 130 . 1 1 11 11 LYS C C 13 173.006 0.000 . . . . . A 11 LYS C . 25972 1 131 . 1 1 11 11 LYS CA C 13 53.587 0.017 . . . . . A 11 LYS CA . 25972 1 132 . 1 1 11 11 LYS CB C 13 30.713 0.025 . . . . . A 11 LYS CB . 25972 1 133 . 1 1 11 11 LYS CG C 13 22.404 0.000 . . . . . A 11 LYS CG . 25972 1 134 . 1 1 11 11 LYS CD C 13 26.731 0.000 . . . . . A 11 LYS CD . 25972 1 135 . 1 1 11 11 LYS CE C 13 39.282 0.000 . . . . . A 11 LYS CE . 25972 1 136 . 1 1 11 11 LYS N N 15 121.909 0.012 . . . . . A 11 LYS N . 25972 1 137 . 1 1 12 12 THR H H 1 8.569 0.002 . . . . . A 12 THR H . 25972 1 138 . 1 1 12 12 THR HA H 1 4.955 0.000 . . . . . A 12 THR HA . 25972 1 139 . 1 1 12 12 THR HB H 1 3.855 0.000 . . . . . A 12 THR HB . 25972 1 140 . 1 1 12 12 THR HG21 H 1 0.987 0.000 . . . . . A 12 THR HG21 . 25972 1 141 . 1 1 12 12 THR HG22 H 1 0.987 0.000 . . . . . A 12 THR HG22 . 25972 1 142 . 1 1 12 12 THR HG23 H 1 0.987 0.000 . . . . . A 12 THR HG23 . 25972 1 143 . 1 1 12 12 THR C C 13 171.569 0.000 . . . . . A 12 THR C . 25972 1 144 . 1 1 12 12 THR CA C 13 59.745 0.055 . . . . . A 12 THR CA . 25972 1 145 . 1 1 12 12 THR CB C 13 67.013 0.052 . . . . . A 12 THR CB . 25972 1 146 . 1 1 12 12 THR CG2 C 13 19.354 0.000 . . . . . A 12 THR CG2 . 25972 1 147 . 1 1 12 12 THR N N 15 120.562 0.017 . . . . . A 12 THR N . 25972 1 148 . 1 1 13 13 ILE H H 1 9.486 0.002 . . . . . A 13 ILE H . 25972 1 149 . 1 1 13 13 ILE HA H 1 4.435 0.000 . . . . . A 13 ILE HA . 25972 1 150 . 1 1 13 13 ILE HB H 1 1.789 0.000 . . . . . A 13 ILE HB . 25972 1 151 . 1 1 13 13 ILE HG12 H 1 1.337 0.000 . . . . . A 13 ILE HG12 . 25972 1 152 . 1 1 13 13 ILE HG21 H 1 1.024 0.000 . . . . . A 13 ILE HG21 . 25972 1 153 . 1 1 13 13 ILE HG22 H 1 1.024 0.000 . . . . . A 13 ILE HG22 . 25972 1 154 . 1 1 13 13 ILE HG23 H 1 1.024 0.000 . . . . . A 13 ILE HG23 . 25972 1 155 . 1 1 13 13 ILE HD11 H 1 0.794 0.000 . . . . . A 13 ILE HD11 . 25972 1 156 . 1 1 13 13 ILE HD12 H 1 0.794 0.000 . . . . . A 13 ILE HD12 . 25972 1 157 . 1 1 13 13 ILE HD13 H 1 0.794 0.000 . . . . . A 13 ILE HD13 . 25972 1 158 . 1 1 13 13 ILE C C 13 172.459 0.000 . . . . . A 13 ILE C . 25972 1 159 . 1 1 13 13 ILE CA C 13 57.259 0.027 . . . . . A 13 ILE CA . 25972 1 160 . 1 1 13 13 ILE CB C 13 38.142 0.017 . . . . . A 13 ILE CB . 25972 1 161 . 1 1 13 13 ILE CG1 C 13 24.293 0.000 . . . . . A 13 ILE CG1 . 25972 1 162 . 1 1 13 13 ILE CG2 C 13 15.087 0.000 . . . . . A 13 ILE CG2 . 25972 1 163 . 1 1 13 13 ILE CD1 C 13 11.826 0.000 . . . . . A 13 ILE CD1 . 25972 1 164 . 1 1 13 13 ILE N N 15 127.751 0.021 . . . . . A 13 ILE N . 25972 1 165 . 1 1 14 14 THR H H 1 8.677 0.001 . . . . . A 14 THR H . 25972 1 166 . 1 1 14 14 THR HA H 1 4.881 0.000 . . . . . A 14 THR HA . 25972 1 167 . 1 1 14 14 THR HB H 1 3.947 0.000 . . . . . A 14 THR HB . 25972 1 168 . 1 1 14 14 THR HG21 H 1 1.038 0.000 . . . . . A 14 THR HG21 . 25972 1 169 . 1 1 14 14 THR HG22 H 1 1.038 0.000 . . . . . A 14 THR HG22 . 25972 1 170 . 1 1 14 14 THR HG23 H 1 1.038 0.000 . . . . . A 14 THR HG23 . 25972 1 171 . 1 1 14 14 THR C C 13 170.924 0.000 . . . . . A 14 THR C . 25972 1 172 . 1 1 14 14 THR CA C 13 59.218 0.010 . . . . . A 14 THR CA . 25972 1 173 . 1 1 14 14 THR CB C 13 66.959 0.067 . . . . . A 14 THR CB . 25972 1 174 . 1 1 14 14 THR CG2 C 13 19.144 0.000 . . . . . A 14 THR CG2 . 25972 1 175 . 1 1 14 14 THR N N 15 121.157 0.041 . . . . . A 14 THR N . 25972 1 176 . 1 1 15 15 LEU H H 1 8.723 0.003 . . . . . A 15 LEU H . 25972 1 177 . 1 1 15 15 LEU HG H 1 1.209 0.000 . . . . . A 15 LEU HG . 25972 1 178 . 1 1 15 15 LEU HD11 H 1 0.627 0.000 . . . . . A 15 LEU HD11 . 25972 1 179 . 1 1 15 15 LEU HD12 H 1 0.627 0.000 . . . . . A 15 LEU HD12 . 25972 1 180 . 1 1 15 15 LEU HD13 H 1 0.627 0.000 . . . . . A 15 LEU HD13 . 25972 1 181 . 1 1 15 15 LEU CA C 13 50.091 0.031 . . . . . A 15 LEU CA . 25972 1 182 . 1 1 15 15 LEU CB C 13 44.065 0.018 . . . . . A 15 LEU CB . 25972 1 183 . 1 1 15 15 LEU CG C 13 24.323 0.000 . . . . . A 15 LEU CG . 25972 1 184 . 1 1 15 15 LEU CD1 C 13 22.419 0.000 . . . . . A 15 LEU CD1 . 25972 1 185 . 1 1 15 15 LEU CD2 C 13 21.079 0.000 . . . . . A 15 LEU CD2 . 25972 1 186 . 1 1 15 15 LEU N N 15 125.263 0.024 . . . . . A 15 LEU N . 25972 1 187 . 1 1 16 16 GLU H H 1 8.063 0.003 . . . . . A 16 GLU H . 25972 1 188 . 1 1 16 16 GLU HA H 1 4.829 0.000 . . . . . A 16 GLU HA . 25972 1 189 . 1 1 16 16 GLU HB2 H 1 1.968 0.000 . . . . . A 16 GLU HB2 . 25972 1 190 . 1 1 16 16 GLU HB3 H 1 1.762 0.000 . . . . . A 16 GLU HB3 . 25972 1 191 . 1 1 16 16 GLU HG2 H 1 2.143 0.000 . . . . . A 16 GLU HG2 . 25972 1 192 . 1 1 16 16 GLU C C 13 172.992 0.000 . . . . . A 16 GLU C . 25972 1 193 . 1 1 16 16 GLU CA C 13 52.148 0.037 . . . . . A 16 GLU CA . 25972 1 194 . 1 1 16 16 GLU CB C 13 26.950 0.027 . . . . . A 16 GLU CB . 25972 1 195 . 1 1 16 16 GLU CG C 13 32.887 0.000 . . . . . A 16 GLU CG . 25972 1 196 . 1 1 16 16 GLU N N 15 123.157 0.018 . . . . . A 16 GLU N . 25972 1 197 . 1 1 17 17 VAL H H 1 8.771 0.001 . . . . . A 17 VAL H . 25972 1 198 . 1 1 17 17 VAL HA H 1 4.607 0.000 . . . . . A 17 VAL HA . 25972 1 199 . 1 1 17 17 VAL HB H 1 2.180 0.000 . . . . . A 17 VAL HB . 25972 1 200 . 1 1 17 17 VAL HG11 H 1 0.599 0.000 . . . . . A 17 VAL HG11 . 25972 1 201 . 1 1 17 17 VAL HG12 H 1 0.599 0.000 . . . . . A 17 VAL HG12 . 25972 1 202 . 1 1 17 17 VAL HG13 H 1 0.599 0.000 . . . . . A 17 VAL HG13 . 25972 1 203 . 1 1 17 17 VAL HG21 H 1 0.365 0.000 . . . . . A 17 VAL HG21 . 25972 1 204 . 1 1 17 17 VAL HG22 H 1 0.365 0.000 . . . . . A 17 VAL HG22 . 25972 1 205 . 1 1 17 17 VAL HG23 H 1 0.365 0.000 . . . . . A 17 VAL HG23 . 25972 1 206 . 1 1 17 17 VAL C C 13 171.487 0.000 . . . . . A 17 VAL C . 25972 1 207 . 1 1 17 17 VAL CA C 13 55.770 0.013 . . . . . A 17 VAL CA . 25972 1 208 . 1 1 17 17 VAL CB C 13 33.896 0.125 . . . . . A 17 VAL CB . 25972 1 209 . 1 1 17 17 VAL CG1 C 13 19.242 0.000 . . . . . A 17 VAL CG1 . 25972 1 210 . 1 1 17 17 VAL CG2 C 13 16.643 0.000 . . . . . A 17 VAL CG2 . 25972 1 211 . 1 1 17 17 VAL N N 15 117.580 0.009 . . . . . A 17 VAL N . 25972 1 212 . 1 1 18 18 GLU H H 1 8.666 0.001 . . . . . A 18 GLU H . 25972 1 213 . 1 1 18 18 GLU CA C 13 50.107 0.000 . . . . . A 18 GLU CA . 25972 1 214 . 1 1 18 18 GLU CB C 13 27.851 0.000 . . . . . A 18 GLU CB . 25972 1 215 . 1 1 18 18 GLU N N 15 119.693 0.018 . . . . . A 18 GLU N . 25972 1 216 . 1 1 19 19 PRO HA H 1 4.008 0.000 . . . . . A 19 PRO HA . 25972 1 217 . 1 1 19 19 PRO HB2 H 1 2.354 0.000 . . . . . A 19 PRO HB2 . 25972 1 218 . 1 1 19 19 PRO HB3 H 1 2.115 0.000 . . . . . A 19 PRO HB3 . 25972 1 219 . 1 1 19 19 PRO HG2 H 1 1.938 0.000 . . . . . A 19 PRO HG2 . 25972 1 220 . 1 1 19 19 PRO HG3 H 1 0.791 0.000 . . . . . A 19 PRO HG3 . 25972 1 221 . 1 1 19 19 PRO C C 13 172.569 0.000 . . . . . A 19 PRO C . 25972 1 222 . 1 1 19 19 PRO CA C 13 62.659 0.055 . . . . . A 19 PRO CA . 25972 1 223 . 1 1 19 19 PRO CB C 13 29.100 0.040 . . . . . A 19 PRO CB . 25972 1 224 . 1 1 19 19 PRO CG C 13 25.231 0.000 . . . . . A 19 PRO CG . 25972 1 225 . 1 1 19 19 PRO CD C 13 47.552 0.000 . . . . . A 19 PRO CD . 25972 1 226 . 1 1 20 20 SER H H 1 6.980 0.001 . . . . . A 20 SER H . 25972 1 227 . 1 1 20 20 SER HA H 1 4.276 0.000 . . . . . A 20 SER HA . 25972 1 228 . 1 1 20 20 SER HB2 H 1 4.065 0.000 . . . . . A 20 SER HB2 . 25972 1 229 . 1 1 20 20 SER HB3 H 1 3.699 0.000 . . . . . A 20 SER HB3 . 25972 1 230 . 1 1 20 20 SER C C 13 171.991 0.000 . . . . . A 20 SER C . 25972 1 231 . 1 1 20 20 SER CA C 13 54.766 0.030 . . . . . A 20 SER CA . 25972 1 232 . 1 1 20 20 SER CB C 13 60.697 0.007 . . . . . A 20 SER CB . 25972 1 233 . 1 1 20 20 SER N N 15 103.369 0.010 . . . . . A 20 SER N . 25972 1 234 . 1 1 21 21 ASP H H 1 7.939 0.001 . . . . . A 21 ASP H . 25972 1 235 . 1 1 21 21 ASP HA H 1 4.615 0.000 . . . . . A 21 ASP HA . 25972 1 236 . 1 1 21 21 ASP HB2 H 1 2.934 0.000 . . . . . A 21 ASP HB2 . 25972 1 237 . 1 1 21 21 ASP HB3 H 1 2.486 0.000 . . . . . A 21 ASP HB3 . 25972 1 238 . 1 1 21 21 ASP C C 13 173.377 0.000 . . . . . A 21 ASP C . 25972 1 239 . 1 1 21 21 ASP CA C 13 52.928 0.008 . . . . . A 21 ASP CA . 25972 1 240 . 1 1 21 21 ASP CB C 13 38.218 0.013 . . . . . A 21 ASP CB . 25972 1 241 . 1 1 21 21 ASP N N 15 123.727 0.019 . . . . . A 21 ASP N . 25972 1 242 . 1 1 22 22 THR H H 1 7.838 0.001 . . . . . A 22 THR H . 25972 1 243 . 1 1 22 22 THR HA H 1 4.765 0.000 . . . . . A 22 THR HA . 25972 1 244 . 1 1 22 22 THR HG21 H 1 1.164 0.000 . . . . . A 22 THR HG21 . 25972 1 245 . 1 1 22 22 THR HG22 H 1 1.164 0.000 . . . . . A 22 THR HG22 . 25972 1 246 . 1 1 22 22 THR HG23 H 1 1.164 0.000 . . . . . A 22 THR HG23 . 25972 1 247 . 1 1 22 22 THR C C 13 173.864 0.000 . . . . . A 22 THR C . 25972 1 248 . 1 1 22 22 THR CA C 13 57.170 0.006 . . . . . A 22 THR CA . 25972 1 249 . 1 1 22 22 THR CB C 13 68.745 0.019 . . . . . A 22 THR CB . 25972 1 250 . 1 1 22 22 THR CG2 C 13 19.472 0.000 . . . . . A 22 THR CG2 . 25972 1 251 . 1 1 22 22 THR N N 15 108.327 0.018 . . . . . A 22 THR N . 25972 1 252 . 1 1 23 23 ILE H H 1 8.377 0.001 . . . . . A 23 ILE H . 25972 1 253 . 1 1 23 23 ILE CA C 13 59.605 0.000 . . . . . A 23 ILE CA . 25972 1 254 . 1 1 23 23 ILE CB C 13 32.098 0.000 . . . . . A 23 ILE CB . 25972 1 255 . 1 1 23 23 ILE N N 15 121.289 0.012 . . . . . A 23 ILE N . 25972 1 256 . 1 1 24 24 GLU HA H 1 3.778 0.000 . . . . . A 24 GLU HA . 25972 1 257 . 1 1 24 24 GLU HB2 H 1 1.941 0.000 . . . . . A 24 GLU HB2 . 25972 1 258 . 1 1 24 24 GLU HG2 H 1 2.251 0.000 . . . . . A 24 GLU HG2 . 25972 1 259 . 1 1 24 24 GLU C C 13 176.287 0.000 . . . . . A 24 GLU C . 25972 1 260 . 1 1 24 24 GLU CA C 13 57.922 0.011 . . . . . A 24 GLU CA . 25972 1 261 . 1 1 24 24 GLU CB C 13 25.951 0.009 . . . . . A 24 GLU CB . 25972 1 262 . 1 1 24 24 GLU CG C 13 33.485 0.000 . . . . . A 24 GLU CG . 25972 1 263 . 1 1 25 25 ASN H H 1 7.934 0.001 . . . . . A 25 ASN H . 25972 1 264 . 1 1 25 25 ASN HA H 1 4.294 0.000 . . . . . A 25 ASN HA . 25972 1 265 . 1 1 25 25 ASN HB2 H 1 3.088 0.000 . . . . . A 25 ASN HB2 . 25972 1 266 . 1 1 25 25 ASN HB3 H 1 2.783 0.000 . . . . . A 25 ASN HB3 . 25972 1 267 . 1 1 25 25 ASN C C 13 175.381 0.000 . . . . . A 25 ASN C . 25972 1 268 . 1 1 25 25 ASN CA C 13 53.288 0.068 . . . . . A 25 ASN CA . 25972 1 269 . 1 1 25 25 ASN CB C 13 35.772 0.013 . . . . . A 25 ASN CB . 25972 1 270 . 1 1 25 25 ASN N N 15 121.354 0.014 . . . . . A 25 ASN N . 25972 1 271 . 1 1 26 26 ALA H H 1 8.082 0.003 . . . . . A 26 ALA H . 25972 1 272 . 1 1 26 26 ALA HA H 1 3.814 0.000 . . . . . A 26 ALA HA . 25972 1 273 . 1 1 26 26 ALA HB1 H 1 1.200 0.000 . . . . . A 26 ALA HB1 . 25972 1 274 . 1 1 26 26 ALA HB2 H 1 1.200 0.000 . . . . . A 26 ALA HB2 . 25972 1 275 . 1 1 26 26 ALA HB3 H 1 1.200 0.000 . . . . . A 26 ALA HB3 . 25972 1 276 . 1 1 26 26 ALA C C 13 176.419 0.000 . . . . . A 26 ALA C . 25972 1 277 . 1 1 26 26 ALA CA C 13 53.148 0.033 . . . . . A 26 ALA CA . 25972 1 278 . 1 1 26 26 ALA CB C 13 13.219 0.012 . . . . . A 26 ALA CB . 25972 1 279 . 1 1 26 26 ALA N N 15 123.210 0.022 . . . . . A 26 ALA N . 25972 1 280 . 1 1 27 27 LYS H H 1 8.435 0.001 . . . . . A 27 LYS H . 25972 1 281 . 1 1 27 27 LYS HA H 1 4.458 0.000 . . . . . A 27 LYS HA . 25972 1 282 . 1 1 27 27 LYS HB2 H 1 1.914 0.000 . . . . . A 27 LYS HB2 . 25972 1 283 . 1 1 27 27 LYS HG2 H 1 1.341 0.000 . . . . . A 27 LYS HG2 . 25972 1 284 . 1 1 27 27 LYS HD2 H 1 1.522 0.000 . . . . . A 27 LYS HD2 . 25972 1 285 . 1 1 27 27 LYS C C 13 177.725 0.000 . . . . . A 27 LYS C . 25972 1 286 . 1 1 27 27 LYS CA C 13 56.376 0.038 . . . . . A 27 LYS CA . 25972 1 287 . 1 1 27 27 LYS CB C 13 31.107 0.011 . . . . . A 27 LYS CB . 25972 1 288 . 1 1 27 27 LYS CG C 13 23.304 0.000 . . . . . A 27 LYS CG . 25972 1 289 . 1 1 27 27 LYS CD C 13 27.774 0.000 . . . . . A 27 LYS CD . 25972 1 290 . 1 1 27 27 LYS N N 15 116.593 0.013 . . . . . A 27 LYS N . 25972 1 291 . 1 1 28 28 ALA H H 1 7.994 0.001 . . . . . A 28 ALA H . 25972 1 292 . 1 1 28 28 ALA HA H 1 4.060 0.000 . . . . . A 28 ALA HA . 25972 1 293 . 1 1 28 28 ALA HB1 H 1 1.545 0.000 . . . . . A 28 ALA HB1 . 25972 1 294 . 1 1 28 28 ALA HB2 H 1 1.545 0.000 . . . . . A 28 ALA HB2 . 25972 1 295 . 1 1 28 28 ALA HB3 H 1 1.545 0.000 . . . . . A 28 ALA HB3 . 25972 1 296 . 1 1 28 28 ALA C C 13 177.553 0.000 . . . . . A 28 ALA C . 25972 1 297 . 1 1 28 28 ALA CA C 13 52.586 0.040 . . . . . A 28 ALA CA . 25972 1 298 . 1 1 28 28 ALA CB C 13 14.926 0.003 . . . . . A 28 ALA CB . 25972 1 299 . 1 1 28 28 ALA N N 15 124.181 0.016 . . . . . A 28 ALA N . 25972 1 300 . 1 1 29 29 LYS H H 1 7.772 0.001 . . . . . A 29 LYS H . 25972 1 301 . 1 1 29 29 LYS HA H 1 4.108 0.000 . . . . . A 29 LYS HA . 25972 1 302 . 1 1 29 29 LYS HB2 H 1 1.964 0.000 . . . . . A 29 LYS HB2 . 25972 1 303 . 1 1 29 29 LYS HG2 H 1 1.559 0.088 . . . . . A 29 LYS HG2 . 25972 1 304 . 1 1 29 29 LYS C C 13 177.518 0.000 . . . . . A 29 LYS C . 25972 1 305 . 1 1 29 29 LYS CA C 13 56.973 0.016 . . . . . A 29 LYS CA . 25972 1 306 . 1 1 29 29 LYS CB C 13 30.513 0.014 . . . . . A 29 LYS CB . 25972 1 307 . 1 1 29 29 LYS CG C 13 23.853 0.000 . . . . . A 29 LYS CG . 25972 1 308 . 1 1 29 29 LYS CD C 13 27.302 0.000 . . . . . A 29 LYS CD . 25972 1 309 . 1 1 29 29 LYS CE C 13 39.855 0.000 . . . . . A 29 LYS CE . 25972 1 310 . 1 1 29 29 LYS N N 15 119.797 0.009 . . . . . A 29 LYS N . 25972 1 311 . 1 1 30 30 ILE H H 1 8.116 0.001 . . . . . A 30 ILE H . 25972 1 312 . 1 1 30 30 ILE HB H 1 2.262 0.000 . . . . . A 30 ILE HB . 25972 1 313 . 1 1 30 30 ILE HG12 H 1 0.789 0.000 . . . . . A 30 ILE HG12 . 25972 1 314 . 1 1 30 30 ILE HG21 H 1 0.789 0.000 . . . . . A 30 ILE HG21 . 25972 1 315 . 1 1 30 30 ILE HG22 H 1 0.789 0.000 . . . . . A 30 ILE HG22 . 25972 1 316 . 1 1 30 30 ILE HG23 H 1 0.789 0.000 . . . . . A 30 ILE HG23 . 25972 1 317 . 1 1 30 30 ILE HD11 H 1 0.604 0.000 . . . . . A 30 ILE HD11 . 25972 1 318 . 1 1 30 30 ILE HD12 H 1 0.604 0.000 . . . . . A 30 ILE HD12 . 25972 1 319 . 1 1 30 30 ILE HD13 H 1 0.604 0.000 . . . . . A 30 ILE HD13 . 25972 1 320 . 1 1 30 30 ILE C C 13 175.418 0.000 . . . . . A 30 ILE C . 25972 1 321 . 1 1 30 30 ILE CA C 13 63.402 0.006 . . . . . A 30 ILE CA . 25972 1 322 . 1 1 30 30 ILE CB C 13 34.176 0.055 . . . . . A 30 ILE CB . 25972 1 323 . 1 1 30 30 ILE CG1 C 13 28.609 0.000 . . . . . A 30 ILE CG1 . 25972 1 324 . 1 1 30 30 ILE CG2 C 13 14.420 0.000 . . . . . A 30 ILE CG2 . 25972 1 325 . 1 1 30 30 ILE CD1 C 13 11.980 0.000 . . . . . A 30 ILE CD1 . 25972 1 326 . 1 1 30 30 ILE N N 15 121.733 0.022 . . . . . A 30 ILE N . 25972 1 327 . 1 1 31 31 GLN H H 1 8.470 0.002 . . . . . A 31 GLN H . 25972 1 328 . 1 1 31 31 GLN HA H 1 3.717 0.000 . . . . . A 31 GLN HA . 25972 1 329 . 1 1 31 31 GLN HB2 H 1 2.184 0.000 . . . . . A 31 GLN HB2 . 25972 1 330 . 1 1 31 31 GLN HB3 H 1 1.848 0.000 . . . . . A 31 GLN HB3 . 25972 1 331 . 1 1 31 31 GLN HG2 H 1 2.411 0.000 . . . . . A 31 GLN HG2 . 25972 1 332 . 1 1 31 31 GLN C C 13 176.105 0.000 . . . . . A 31 GLN C . 25972 1 333 . 1 1 31 31 GLN CA C 13 57.280 0.019 . . . . . A 31 GLN CA . 25972 1 334 . 1 1 31 31 GLN CB C 13 24.923 0.022 . . . . . A 31 GLN CB . 25972 1 335 . 1 1 31 31 GLN CG C 13 31.071 0.000 . . . . . A 31 GLN CG . 25972 1 336 . 1 1 31 31 GLN N N 15 123.502 0.019 . . . . . A 31 GLN N . 25972 1 337 . 1 1 32 32 ASP H H 1 7.968 0.001 . . . . . A 32 ASP H . 25972 1 338 . 1 1 32 32 ASP HA H 1 4.240 0.000 . . . . . A 32 ASP HA . 25972 1 339 . 1 1 32 32 ASP HB2 H 1 2.707 0.000 . . . . . A 32 ASP HB2 . 25972 1 340 . 1 1 32 32 ASP C C 13 174.580 0.000 . . . . . A 32 ASP C . 25972 1 341 . 1 1 32 32 ASP CA C 13 54.645 0.177 . . . . . A 32 ASP CA . 25972 1 342 . 1 1 32 32 ASP CB C 13 38.278 0.008 . . . . . A 32 ASP CB . 25972 1 343 . 1 1 32 32 ASP N N 15 119.845 0.016 . . . . . A 32 ASP N . 25972 1 344 . 1 1 33 33 LYS H H 1 7.317 0.001 . . . . . A 33 LYS H . 25972 1 345 . 1 1 33 33 LYS HA H 1 4.221 0.000 . . . . . A 33 LYS HA . 25972 1 346 . 1 1 33 33 LYS HB2 H 1 1.955 0.000 . . . . . A 33 LYS HB2 . 25972 1 347 . 1 1 33 33 LYS HG2 H 1 1.525 0.000 . . . . . A 33 LYS HG2 . 25972 1 348 . 1 1 33 33 LYS HD2 H 1 1.728 0.000 . . . . . A 33 LYS HD2 . 25972 1 349 . 1 1 33 33 LYS HE2 H 1 3.082 0.000 . . . . . A 33 LYS HE2 . 25972 1 350 . 1 1 33 33 LYS C C 13 175.061 0.000 . . . . . A 33 LYS C . 25972 1 351 . 1 1 33 33 LYS CA C 13 55.646 0.038 . . . . . A 33 LYS CA . 25972 1 352 . 1 1 33 33 LYS CB C 13 31.375 0.062 . . . . . A 33 LYS CB . 25972 1 353 . 1 1 33 33 LYS CG C 13 22.762 0.000 . . . . . A 33 LYS CG . 25972 1 354 . 1 1 33 33 LYS CD C 13 26.331 0.000 . . . . . A 33 LYS CD . 25972 1 355 . 1 1 33 33 LYS CE C 13 39.567 0.000 . . . . . A 33 LYS CE . 25972 1 356 . 1 1 33 33 LYS N N 15 115.538 0.014 . . . . . A 33 LYS N . 25972 1 357 . 1 1 34 34 GLU H H 1 8.641 0.001 . . . . . A 34 GLU H . 25972 1 358 . 1 1 34 34 GLU HA H 1 4.478 0.000 . . . . . A 34 GLU HA . 25972 1 359 . 1 1 34 34 GLU HB2 H 1 1.588 0.000 . . . . . A 34 GLU HB2 . 25972 1 360 . 1 1 34 34 GLU HG2 H 1 2.030 0.000 . . . . . A 34 GLU HG2 . 25972 1 361 . 1 1 34 34 GLU C C 13 175.201 0.000 . . . . . A 34 GLU C . 25972 1 362 . 1 1 34 34 GLU CA C 13 52.647 0.009 . . . . . A 34 GLU CA . 25972 1 363 . 1 1 34 34 GLU CB C 13 30.534 0.013 . . . . . A 34 GLU CB . 25972 1 364 . 1 1 34 34 GLU CG C 13 33.708 0.000 . . . . . A 34 GLU CG . 25972 1 365 . 1 1 34 34 GLU N N 15 114.381 0.020 . . . . . A 34 GLU N . 25972 1 366 . 1 1 35 35 GLY H H 1 8.485 0.001 . . . . . A 35 GLY H . 25972 1 367 . 1 1 35 35 GLY C C 13 170.752 0.000 . . . . . A 35 GLY C . 25972 1 368 . 1 1 35 35 GLY CA C 13 43.318 0.000 . . . . . A 35 GLY CA . 25972 1 369 . 1 1 35 35 GLY N N 15 108.886 0.013 . . . . . A 35 GLY N . 25972 1 370 . 1 1 36 36 ILE H H 1 7.001 0.000 . . . . . A 36 ILE H . 25972 1 371 . 1 1 36 36 ILE N N 15 117.194 0.001 . . . . . A 36 ILE N . 25972 1 372 . 1 1 38 38 PRO HB2 H 1 2.138 0.000 . . . . . A 38 PRO HB2 . 25972 1 373 . 1 1 38 38 PRO HB3 H 1 1.929 0.000 . . . . . A 38 PRO HB3 . 25972 1 374 . 1 1 38 38 PRO HG2 H 1 1.591 0.000 . . . . . A 38 PRO HG2 . 25972 1 375 . 1 1 38 38 PRO HD2 H 1 3.685 0.000 . . . . . A 38 PRO HD2 . 25972 1 376 . 1 1 38 38 PRO C C 13 175.477 0.000 . . . . . A 38 PRO C . 25972 1 377 . 1 1 38 38 PRO CA C 13 48.557 25.723 . . . . . A 38 PRO CA . 25972 1 378 . 1 1 38 38 PRO CB C 13 30.070 0.035 . . . . . A 38 PRO CB . 25972 1 379 . 1 1 38 38 PRO CG C 13 24.968 0.000 . . . . . A 38 PRO CG . 25972 1 380 . 1 1 38 38 PRO CD C 13 48.487 0.000 . . . . . A 38 PRO CD . 25972 1 381 . 1 1 39 39 ASP H H 1 8.464 0.002 . . . . . A 39 ASP H . 25972 1 382 . 1 1 39 39 ASP HA H 1 4.322 0.000 . . . . . A 39 ASP HA . 25972 1 383 . 1 1 39 39 ASP HB2 H 1 2.630 0.000 . . . . . A 39 ASP HB2 . 25972 1 384 . 1 1 39 39 ASP C C 13 174.305 0.000 . . . . . A 39 ASP C . 25972 1 385 . 1 1 39 39 ASP CA C 13 53.112 0.203 . . . . . A 39 ASP CA . 25972 1 386 . 1 1 39 39 ASP CB C 13 37.063 0.007 . . . . . A 39 ASP CB . 25972 1 387 . 1 1 39 39 ASP N N 15 113.577 0.063 . . . . . A 39 ASP N . 25972 1 388 . 1 1 40 40 GLN H H 1 7.760 0.001 . . . . . A 40 GLN H . 25972 1 389 . 1 1 40 40 GLN HA H 1 4.362 0.000 . . . . . A 40 GLN HA . 25972 1 390 . 1 1 40 40 GLN HB2 H 1 1.745 0.000 . . . . . A 40 GLN HB2 . 25972 1 391 . 1 1 40 40 GLN HG2 H 1 2.328 0.000 . . . . . A 40 GLN HG2 . 25972 1 392 . 1 1 40 40 GLN C C 13 172.581 0.000 . . . . . A 40 GLN C . 25972 1 393 . 1 1 40 40 GLN CA C 13 52.949 0.116 . . . . . A 40 GLN CA . 25972 1 394 . 1 1 40 40 GLN CB C 13 27.400 0.070 . . . . . A 40 GLN CB . 25972 1 395 . 1 1 40 40 GLN CG C 13 31.702 0.000 . . . . . A 40 GLN CG . 25972 1 396 . 1 1 40 40 GLN N N 15 116.928 0.021 . . . . . A 40 GLN N . 25972 1 397 . 1 1 41 41 GLN H H 1 7.408 0.001 . . . . . A 41 GLN H . 25972 1 398 . 1 1 41 41 GLN HA H 1 4.126 0.000 . . . . . A 41 GLN HA . 25972 1 399 . 1 1 41 41 GLN HB2 H 1 1.821 0.000 . . . . . A 41 GLN HB2 . 25972 1 400 . 1 1 41 41 GLN HB3 H 1 1.572 0.000 . . . . . A 41 GLN HB3 . 25972 1 401 . 1 1 41 41 GLN HG2 H 1 2.422 0.000 . . . . . A 41 GLN HG2 . 25972 1 402 . 1 1 41 41 GLN C C 13 173.403 0.000 . . . . . A 41 GLN C . 25972 1 403 . 1 1 41 41 GLN CA C 13 53.876 0.021 . . . . . A 41 GLN CA . 25972 1 404 . 1 1 41 41 GLN CB C 13 28.849 0.016 . . . . . A 41 GLN CB . 25972 1 405 . 1 1 41 41 GLN CG C 13 30.857 0.000 . . . . . A 41 GLN CG . 25972 1 406 . 1 1 41 41 GLN N N 15 118.031 0.024 . . . . . A 41 GLN N . 25972 1 407 . 1 1 42 42 ARG H H 1 8.457 0.001 . . . . . A 42 ARG H . 25972 1 408 . 1 1 42 42 ARG HA H 1 4.394 0.000 . . . . . A 42 ARG HA . 25972 1 409 . 1 1 42 42 ARG HB2 H 1 1.586 0.000 . . . . . A 42 ARG HB2 . 25972 1 410 . 1 1 42 42 ARG HG2 H 1 1.342 0.000 . . . . . A 42 ARG HG2 . 25972 1 411 . 1 1 42 42 ARG HD2 H 1 2.995 0.000 . . . . . A 42 ARG HD2 . 25972 1 412 . 1 1 42 42 ARG C C 13 171.201 0.000 . . . . . A 42 ARG C . 25972 1 413 . 1 1 42 42 ARG CA C 13 52.379 0.013 . . . . . A 42 ARG CA . 25972 1 414 . 1 1 42 42 ARG CB C 13 28.878 0.007 . . . . . A 42 ARG CB . 25972 1 415 . 1 1 42 42 ARG CG C 13 24.292 0.000 . . . . . A 42 ARG CG . 25972 1 416 . 1 1 42 42 ARG CD C 13 40.975 0.000 . . . . . A 42 ARG CD . 25972 1 417 . 1 1 42 42 ARG N N 15 123.035 0.014 . . . . . A 42 ARG N . 25972 1 418 . 1 1 43 43 LEU H H 1 8.712 0.003 . . . . . A 43 LEU H . 25972 1 419 . 1 1 43 43 LEU HA H 1 5.251 0.000 . . . . . A 43 LEU HA . 25972 1 420 . 1 1 43 43 LEU HB2 H 1 1.415 0.000 . . . . . A 43 LEU HB2 . 25972 1 421 . 1 1 43 43 LEU HG H 1 1.075 0.000 . . . . . A 43 LEU HG . 25972 1 422 . 1 1 43 43 LEU HD21 H 1 0.664 0.000 . . . . . A 43 LEU HD21 . 25972 1 423 . 1 1 43 43 LEU HD22 H 1 0.664 0.000 . . . . . A 43 LEU HD22 . 25972 1 424 . 1 1 43 43 LEU HD23 H 1 0.664 0.000 . . . . . A 43 LEU HD23 . 25972 1 425 . 1 1 43 43 LEU C C 13 172.511 0.000 . . . . . A 43 LEU C . 25972 1 426 . 1 1 43 43 LEU CA C 13 50.339 0.020 . . . . . A 43 LEU CA . 25972 1 427 . 1 1 43 43 LEU CB C 13 42.987 0.022 . . . . . A 43 LEU CB . 25972 1 428 . 1 1 43 43 LEU CG C 13 24.493 0.000 . . . . . A 43 LEU CG . 25972 1 429 . 1 1 43 43 LEU CD1 C 13 22.808 0.000 . . . . . A 43 LEU CD1 . 25972 1 430 . 1 1 43 43 LEU CD2 C 13 21.400 0.000 . . . . . A 43 LEU CD2 . 25972 1 431 . 1 1 43 43 LEU N N 15 124.333 0.014 . . . . . A 43 LEU N . 25972 1 432 . 1 1 44 44 ILE H H 1 9.027 0.005 . . . . . A 44 ILE H . 25972 1 433 . 1 1 44 44 ILE HA H 1 4.846 0.000 . . . . . A 44 ILE HA . 25972 1 434 . 1 1 44 44 ILE HB H 1 1.643 0.000 . . . . . A 44 ILE HB . 25972 1 435 . 1 1 44 44 ILE HG12 H 1 0.983 0.000 . . . . . A 44 ILE HG12 . 25972 1 436 . 1 1 44 44 ILE HG21 H 1 1.254 0.000 . . . . . A 44 ILE HG21 . 25972 1 437 . 1 1 44 44 ILE HG22 H 1 1.254 0.000 . . . . . A 44 ILE HG22 . 25972 1 438 . 1 1 44 44 ILE HG23 H 1 1.254 0.000 . . . . . A 44 ILE HG23 . 25972 1 439 . 1 1 44 44 ILE HD11 H 1 0.591 0.000 . . . . . A 44 ILE HD11 . 25972 1 440 . 1 1 44 44 ILE HD12 H 1 0.591 0.000 . . . . . A 44 ILE HD12 . 25972 1 441 . 1 1 44 44 ILE HD13 H 1 0.591 0.000 . . . . . A 44 ILE HD13 . 25972 1 442 . 1 1 44 44 ILE C C 13 173.062 0.000 . . . . . A 44 ILE C . 25972 1 443 . 1 1 44 44 ILE CA C 13 56.299 0.034 . . . . . A 44 ILE CA . 25972 1 444 . 1 1 44 44 ILE CB C 13 38.425 0.018 . . . . . A 44 ILE CB . 25972 1 445 . 1 1 44 44 ILE CG1 C 13 25.073 0.000 . . . . . A 44 ILE CG1 . 25972 1 446 . 1 1 44 44 ILE CG2 C 13 14.775 0.000 . . . . . A 44 ILE CG2 . 25972 1 447 . 1 1 44 44 ILE CD1 C 13 14.775 0.000 . . . . . A 44 ILE CD1 . 25972 1 448 . 1 1 44 44 ILE N N 15 122.410 0.016 . . . . . A 44 ILE N . 25972 1 449 . 1 1 45 45 PHE H H 1 8.760 0.001 . . . . . A 45 PHE H . 25972 1 450 . 1 1 45 45 PHE HA H 1 5.107 0.000 . . . . . A 45 PHE HA . 25972 1 451 . 1 1 45 45 PHE HB2 H 1 2.931 0.000 . . . . . A 45 PHE HB2 . 25972 1 452 . 1 1 45 45 PHE HB3 H 1 2.737 0.000 . . . . . A 45 PHE HB3 . 25972 1 453 . 1 1 45 45 PHE C C 13 171.853 0.000 . . . . . A 45 PHE C . 25972 1 454 . 1 1 45 45 PHE CA C 13 53.721 0.040 . . . . . A 45 PHE CA . 25972 1 455 . 1 1 45 45 PHE CB C 13 40.913 0.016 . . . . . A 45 PHE CB . 25972 1 456 . 1 1 45 45 PHE N N 15 125.022 0.041 . . . . . A 45 PHE N . 25972 1 457 . 1 1 46 46 ALA H H 1 8.924 0.010 . . . . . A 46 ALA H . 25972 1 458 . 1 1 46 46 ALA HA H 1 3.629 0.000 . . . . . A 46 ALA HA . 25972 1 459 . 1 1 46 46 ALA HB1 H 1 0.793 0.000 . . . . . A 46 ALA HB1 . 25972 1 460 . 1 1 46 46 ALA HB2 H 1 0.793 0.000 . . . . . A 46 ALA HB2 . 25972 1 461 . 1 1 46 46 ALA HB3 H 1 0.793 0.000 . . . . . A 46 ALA HB3 . 25972 1 462 . 1 1 46 46 ALA C C 13 174.575 0.000 . . . . . A 46 ALA C . 25972 1 463 . 1 1 46 46 ALA CA C 13 49.710 0.188 . . . . . A 46 ALA CA . 25972 1 464 . 1 1 46 46 ALA CB C 13 13.728 0.001 . . . . . A 46 ALA CB . 25972 1 465 . 1 1 46 46 ALA N N 15 101.024 0.012 . . . . . A 46 ALA N . 25972 1 466 . 1 1 47 47 GLY H H 1 8.091 0.003 . . . . . A 47 GLY H . 25972 1 467 . 1 1 47 47 GLY HA2 H 1 4.008 0.000 . . . . . A 47 GLY HA2 . 25972 1 468 . 1 1 47 47 GLY HA3 H 1 3.358 0.000 . . . . . A 47 GLY HA3 . 25972 1 469 . 1 1 47 47 GLY C C 13 171.009 0.000 . . . . . A 47 GLY C . 25972 1 470 . 1 1 47 47 GLY CA C 13 42.643 0.015 . . . . . A 47 GLY CA . 25972 1 471 . 1 1 47 47 GLY N N 15 102.622 0.016 . . . . . A 47 GLY N . 25972 1 472 . 1 1 48 48 LYS H H 1 7.889 0.001 . . . . . A 48 LYS H . 25972 1 473 . 1 1 48 48 LYS HA H 1 4.516 0.000 . . . . . A 48 LYS HA . 25972 1 474 . 1 1 48 48 LYS HB2 H 1 1.806 0.000 . . . . . A 48 LYS HB2 . 25972 1 475 . 1 1 48 48 LYS HG2 H 1 1.428 0.000 . . . . . A 48 LYS HG2 . 25972 1 476 . 1 1 48 48 LYS HD2 H 1 1.806 0.000 . . . . . A 48 LYS HD2 . 25972 1 477 . 1 1 48 48 LYS HE2 H 1 3.074 0.000 . . . . . A 48 LYS HE2 . 25972 1 478 . 1 1 48 48 LYS C C 13 171.863 0.000 . . . . . A 48 LYS C . 25972 1 479 . 1 1 48 48 LYS CA C 13 51.860 0.025 . . . . . A 48 LYS CA . 25972 1 480 . 1 1 48 48 LYS CB C 13 31.726 0.029 . . . . . A 48 LYS CB . 25972 1 481 . 1 1 48 48 LYS CG C 13 21.839 0.000 . . . . . A 48 LYS CG . 25972 1 482 . 1 1 48 48 LYS CD C 13 26.502 0.000 . . . . . A 48 LYS CD . 25972 1 483 . 1 1 48 48 LYS CE C 13 39.639 0.000 . . . . . A 48 LYS CE . 25972 1 484 . 1 1 48 48 LYS N N 15 121.881 0.004 . . . . . A 48 LYS N . 25972 1 485 . 1 1 49 49 GLN H H 1 8.568 0.001 . . . . . A 49 GLN H . 25972 1 486 . 1 1 49 49 GLN HA H 1 4.423 0.000 . . . . . A 49 GLN HA . 25972 1 487 . 1 1 49 49 GLN HB2 H 1 1.894 0.000 . . . . . A 49 GLN HB2 . 25972 1 488 . 1 1 49 49 GLN HG2 H 1 2.148 0.000 . . . . . A 49 GLN HG2 . 25972 1 489 . 1 1 49 49 GLN C C 13 172.842 0.000 . . . . . A 49 GLN C . 25972 1 490 . 1 1 49 49 GLN CA C 13 53.182 0.018 . . . . . A 49 GLN CA . 25972 1 491 . 1 1 49 49 GLN CB C 13 26.317 0.051 . . . . . A 49 GLN CB . 25972 1 492 . 1 1 49 49 GLN CG C 13 31.880 0.000 . . . . . A 49 GLN CG . 25972 1 493 . 1 1 49 49 GLN N N 15 122.956 0.027 . . . . . A 49 GLN N . 25972 1 494 . 1 1 50 50 LEU H H 1 8.469 0.001 . . . . . A 50 LEU H . 25972 1 495 . 1 1 50 50 LEU HA H 1 3.936 0.000 . . . . . A 50 LEU HA . 25972 1 496 . 1 1 50 50 LEU HB2 H 1 1.384 0.000 . . . . . A 50 LEU HB2 . 25972 1 497 . 1 1 50 50 LEU HG H 1 0.897 0.000 . . . . . A 50 LEU HG . 25972 1 498 . 1 1 50 50 LEU HD11 H 1 0.424 0.000 . . . . . A 50 LEU HD11 . 25972 1 499 . 1 1 50 50 LEU HD12 H 1 0.424 0.000 . . . . . A 50 LEU HD12 . 25972 1 500 . 1 1 50 50 LEU HD13 H 1 0.424 0.000 . . . . . A 50 LEU HD13 . 25972 1 501 . 1 1 50 50 LEU HD21 H 1 -0.250 0.000 . . . . . A 50 LEU HD21 . 25972 1 502 . 1 1 50 50 LEU HD22 H 1 -0.250 0.000 . . . . . A 50 LEU HD22 . 25972 1 503 . 1 1 50 50 LEU HD23 H 1 -0.250 0.000 . . . . . A 50 LEU HD23 . 25972 1 504 . 1 1 50 50 LEU C C 13 173.898 0.000 . . . . . A 50 LEU C . 25972 1 505 . 1 1 50 50 LEU CA C 13 51.622 0.020 . . . . . A 50 LEU CA . 25972 1 506 . 1 1 50 50 LEU CB C 13 38.560 0.024 . . . . . A 50 LEU CB . 25972 1 507 . 1 1 50 50 LEU CG C 13 23.241 0.000 . . . . . A 50 LEU CG . 25972 1 508 . 1 1 50 50 LEU CD1 C 13 17.053 0.000 . . . . . A 50 LEU CD1 . 25972 1 509 . 1 1 50 50 LEU N N 15 125.688 0.016 . . . . . A 50 LEU N . 25972 1 510 . 1 1 51 51 GLU H H 1 8.300 0.001 . . . . . A 51 GLU H . 25972 1 511 . 1 1 51 51 GLU HA H 1 4.390 0.000 . . . . . A 51 GLU HA . 25972 1 512 . 1 1 51 51 GLU HB2 H 1 1.891 0.000 . . . . . A 51 GLU HB2 . 25972 1 513 . 1 1 51 51 GLU HG2 H 1 2.302 0.000 . . . . . A 51 GLU HG2 . 25972 1 514 . 1 1 51 51 GLU C C 13 172.755 0.000 . . . . . A 51 GLU C . 25972 1 515 . 1 1 51 51 GLU CA C 13 53.291 0.027 . . . . . A 51 GLU CA . 25972 1 516 . 1 1 51 51 GLU CB C 13 29.077 0.008 . . . . . A 51 GLU CB . 25972 1 517 . 1 1 51 51 GLU CG C 13 33.813 0.000 . . . . . A 51 GLU CG . 25972 1 518 . 1 1 51 51 GLU N N 15 123.295 0.033 . . . . . A 51 GLU N . 25972 1 519 . 1 1 52 52 ASP H H 1 8.102 0.001 . . . . . A 52 ASP H . 25972 1 520 . 1 1 52 52 ASP HA H 1 3.967 0.000 . . . . . A 52 ASP HA . 25972 1 521 . 1 1 52 52 ASP CA C 13 53.788 0.000 . . . . . A 52 ASP CA . 25972 1 522 . 1 1 52 52 ASP CB C 13 38.031 0.000 . . . . . A 52 ASP CB . 25972 1 523 . 1 1 52 52 ASP N N 15 120.648 0.017 . . . . . A 52 ASP N . 25972 1 524 . 1 1 53 53 GLY C C 13 172.142 0.000 . . . . . A 53 GLY C . 25972 1 525 . 1 1 53 53 GLY CA C 13 42.457 0.013 . . . . . A 53 GLY CA . 25972 1 526 . 1 1 54 54 ARG H H 1 7.377 0.001 . . . . . A 54 ARG H . 25972 1 527 . 1 1 54 54 ARG HA H 1 4.609 0.000 . . . . . A 54 ARG HA . 25972 1 528 . 1 1 54 54 ARG HB2 H 1 2.115 0.000 . . . . . A 54 ARG HB2 . 25972 1 529 . 1 1 54 54 ARG HG2 H 1 1.770 0.000 . . . . . A 54 ARG HG2 . 25972 1 530 . 1 1 54 54 ARG HG3 H 1 1.534 0.000 . . . . . A 54 ARG HG3 . 25972 1 531 . 1 1 54 54 ARG HD2 H 1 3.041 0.000 . . . . . A 54 ARG HD2 . 25972 1 532 . 1 1 54 54 ARG C C 13 172.600 0.000 . . . . . A 54 ARG C . 25972 1 533 . 1 1 54 54 ARG CA C 13 51.728 0.012 . . . . . A 54 ARG CA . 25972 1 534 . 1 1 54 54 ARG CB C 13 29.778 0.037 . . . . . A 54 ARG CB . 25972 1 535 . 1 1 54 54 ARG CG C 13 24.784 0.000 . . . . . A 54 ARG CG . 25972 1 536 . 1 1 54 54 ARG CD C 13 40.198 0.000 . . . . . A 54 ARG CD . 25972 1 537 . 1 1 54 54 ARG N N 15 119.409 0.011 . . . . . A 54 ARG N . 25972 1 538 . 1 1 55 55 THR H H 1 8.722 0.001 . . . . . A 55 THR H . 25972 1 539 . 1 1 55 55 THR HA H 1 5.100 0.000 . . . . . A 55 THR HA . 25972 1 540 . 1 1 55 55 THR HB H 1 4.477 0.000 . . . . . A 55 THR HB . 25972 1 541 . 1 1 55 55 THR HG21 H 1 1.037 0.000 . . . . . A 55 THR HG21 . 25972 1 542 . 1 1 55 55 THR HG22 H 1 1.037 0.000 . . . . . A 55 THR HG22 . 25972 1 543 . 1 1 55 55 THR HG23 H 1 1.037 0.000 . . . . . A 55 THR HG23 . 25972 1 544 . 1 1 55 55 THR C C 13 173.646 0.000 . . . . . A 55 THR C . 25972 1 545 . 1 1 55 55 THR CA C 13 57.137 0.032 . . . . . A 55 THR CA . 25972 1 546 . 1 1 55 55 THR CB C 13 69.392 0.006 . . . . . A 55 THR CB . 25972 1 547 . 1 1 55 55 THR CG2 C 13 19.515 0.000 . . . . . A 55 THR CG2 . 25972 1 548 . 1 1 55 55 THR N N 15 108.818 0.008 . . . . . A 55 THR N . 25972 1 549 . 1 1 56 56 LEU H H 1 8.274 0.001 . . . . . A 56 LEU H . 25972 1 550 . 1 1 56 56 LEU HA H 1 4.003 0.000 . . . . . A 56 LEU HA . 25972 1 551 . 1 1 56 56 LEU HB2 H 1 1.602 0.000 . . . . . A 56 LEU HB2 . 25972 1 552 . 1 1 56 56 LEU HG H 1 1.134 0.000 . . . . . A 56 LEU HG . 25972 1 553 . 1 1 56 56 LEU HD11 H 1 0.678 0.000 . . . . . A 56 LEU HD11 . 25972 1 554 . 1 1 56 56 LEU HD12 H 1 0.678 0.000 . . . . . A 56 LEU HD12 . 25972 1 555 . 1 1 56 56 LEU HD13 H 1 0.678 0.000 . . . . . A 56 LEU HD13 . 25972 1 556 . 1 1 56 56 LEU HD21 H 1 0.467 0.000 . . . . . A 56 LEU HD21 . 25972 1 557 . 1 1 56 56 LEU HD22 H 1 0.467 0.000 . . . . . A 56 LEU HD22 . 25972 1 558 . 1 1 56 56 LEU HD23 H 1 0.467 0.000 . . . . . A 56 LEU HD23 . 25972 1 559 . 1 1 56 56 LEU C C 13 178.116 0.000 . . . . . A 56 LEU C . 25972 1 560 . 1 1 56 56 LEU CA C 13 56.212 0.066 . . . . . A 56 LEU CA . 25972 1 561 . 1 1 56 56 LEU CB C 13 37.117 0.013 . . . . . A 56 LEU CB . 25972 1 562 . 1 1 56 56 LEU CG C 13 23.878 0.000 . . . . . A 56 LEU CG . 25972 1 563 . 1 1 56 56 LEU CD1 C 13 20.546 0.000 . . . . . A 56 LEU CD1 . 25972 1 564 . 1 1 56 56 LEU N N 15 118.820 0.019 . . . . . A 56 LEU N . 25972 1 565 . 1 1 57 57 SER H H 1 8.460 0.002 . . . . . A 57 SER H . 25972 1 566 . 1 1 57 57 SER HA H 1 4.156 0.000 . . . . . A 57 SER HA . 25972 1 567 . 1 1 57 57 SER HB2 H 1 3.720 0.000 . . . . . A 57 SER HB2 . 25972 1 568 . 1 1 57 57 SER C C 13 175.496 0.000 . . . . . A 57 SER C . 25972 1 569 . 1 1 57 57 SER CA C 13 58.303 0.019 . . . . . A 57 SER CA . 25972 1 570 . 1 1 57 57 SER CB C 13 59.833 0.014 . . . . . A 57 SER CB . 25972 1 571 . 1 1 57 57 SER N N 15 113.308 0.061 . . . . . A 57 SER N . 25972 1 572 . 1 1 58 58 ASP H H 1 7.870 0.001 . . . . . A 58 ASP H . 25972 1 573 . 1 1 58 58 ASP HA H 1 4.213 0.000 . . . . . A 58 ASP HA . 25972 1 574 . 1 1 58 58 ASP HB2 H 1 2.927 0.000 . . . . . A 58 ASP HB2 . 25972 1 575 . 1 1 58 58 ASP HB3 H 1 2.179 0.000 . . . . . A 58 ASP HB3 . 25972 1 576 . 1 1 58 58 ASP C C 13 174.580 0.000 . . . . . A 58 ASP C . 25972 1 577 . 1 1 58 58 ASP CA C 13 54.680 0.090 . . . . . A 58 ASP CA . 25972 1 578 . 1 1 58 58 ASP CB C 13 37.616 0.048 . . . . . A 58 ASP CB . 25972 1 579 . 1 1 58 58 ASP N N 15 124.730 0.015 . . . . . A 58 ASP N . 25972 1 580 . 1 1 59 59 TYR H H 1 7.201 0.003 . . . . . A 59 TYR H . 25972 1 581 . 1 1 59 59 TYR HA H 1 4.570 0.000 . . . . . A 59 TYR HA . 25972 1 582 . 1 1 59 59 TYR HB2 H 1 3.409 0.000 . . . . . A 59 TYR HB2 . 25972 1 583 . 1 1 59 59 TYR HB3 H 1 2.453 0.000 . . . . . A 59 TYR HB3 . 25972 1 584 . 1 1 59 59 TYR C C 13 171.991 0.000 . . . . . A 59 TYR C . 25972 1 585 . 1 1 59 59 TYR CA C 13 55.415 0.127 . . . . . A 59 TYR CA . 25972 1 586 . 1 1 59 59 TYR CB C 13 37.102 0.018 . . . . . A 59 TYR CB . 25972 1 587 . 1 1 59 59 TYR N N 15 115.818 0.011 . . . . . A 59 TYR N . 25972 1 588 . 1 1 60 60 ASN H H 1 8.111 0.001 . . . . . A 60 ASN H . 25972 1 589 . 1 1 60 60 ASN HA H 1 4.272 0.000 . . . . . A 60 ASN HA . 25972 1 590 . 1 1 60 60 ASN HB2 H 1 3.223 0.000 . . . . . A 60 ASN HB2 . 25972 1 591 . 1 1 60 60 ASN HB3 H 1 2.746 0.000 . . . . . A 60 ASN HB3 . 25972 1 592 . 1 1 60 60 ASN C C 13 171.465 0.000 . . . . . A 60 ASN C . 25972 1 593 . 1 1 60 60 ASN CA C 13 51.490 0.016 . . . . . A 60 ASN CA . 25972 1 594 . 1 1 60 60 ASN CB C 13 34.479 0.219 . . . . . A 60 ASN CB . 25972 1 595 . 1 1 60 60 ASN N N 15 115.567 0.020 . . . . . A 60 ASN N . 25972 1 596 . 1 1 61 61 ILE H H 1 7.054 0.001 . . . . . A 61 ILE H . 25972 1 597 . 1 1 61 61 ILE HA H 1 3.238 0.000 . . . . . A 61 ILE HA . 25972 1 598 . 1 1 61 61 ILE HG12 H 1 1.262 0.000 . . . . . A 61 ILE HG12 . 25972 1 599 . 1 1 61 61 ILE HG13 H 1 1.006 0.000 . . . . . A 61 ILE HG13 . 25972 1 600 . 1 1 61 61 ILE HG21 H 1 0.377 0.000 . . . . . A 61 ILE HG21 . 25972 1 601 . 1 1 61 61 ILE HG22 H 1 0.377 0.000 . . . . . A 61 ILE HG22 . 25972 1 602 . 1 1 61 61 ILE HG23 H 1 0.377 0.000 . . . . . A 61 ILE HG23 . 25972 1 603 . 1 1 61 61 ILE HD11 H 1 -0.483 0.000 . . . . . A 61 ILE HD11 . 25972 1 604 . 1 1 61 61 ILE HD12 H 1 -0.483 0.000 . . . . . A 61 ILE HD12 . 25972 1 605 . 1 1 61 61 ILE HD13 H 1 -0.483 0.000 . . . . . A 61 ILE HD13 . 25972 1 606 . 1 1 61 61 ILE C C 13 171.644 0.000 . . . . . A 61 ILE C . 25972 1 607 . 1 1 61 61 ILE CA C 13 59.823 0.022 . . . . . A 61 ILE CA . 25972 1 608 . 1 1 61 61 ILE CB C 13 34.075 0.033 . . . . . A 61 ILE CB . 25972 1 609 . 1 1 61 61 ILE CG1 C 13 25.558 0.000 . . . . . A 61 ILE CG1 . 25972 1 610 . 1 1 61 61 ILE CG2 C 13 14.659 0.000 . . . . . A 61 ILE CG2 . 25972 1 611 . 1 1 61 61 ILE CD1 C 13 11.728 0.000 . . . . . A 61 ILE CD1 . 25972 1 612 . 1 1 61 61 ILE N N 15 118.803 0.011 . . . . . A 61 ILE N . 25972 1 613 . 1 1 62 62 GLN H H 1 7.590 0.001 . . . . . A 62 GLN H . 25972 1 614 . 1 1 62 62 GLN HA H 1 4.418 0.000 . . . . . A 62 GLN HA . 25972 1 615 . 1 1 62 62 GLN HB2 H 1 1.806 0.000 . . . . . A 62 GLN HB2 . 25972 1 616 . 1 1 62 62 GLN HG2 H 1 2.221 0.000 . . . . . A 62 GLN HG2 . 25972 1 617 . 1 1 62 62 GLN C C 13 172.617 0.000 . . . . . A 62 GLN C . 25972 1 618 . 1 1 62 62 GLN CA C 13 50.846 0.027 . . . . . A 62 GLN CA . 25972 1 619 . 1 1 62 62 GLN CB C 13 29.645 0.622 . . . . . A 62 GLN CB . 25972 1 620 . 1 1 62 62 GLN CG C 13 33.361 0.000 . . . . . A 62 GLN CG . 25972 1 621 . 1 1 62 62 GLN N N 15 125.162 0.010 . . . . . A 62 GLN N . 25972 1 622 . 1 1 63 63 LYS H H 1 8.388 0.002 . . . . . A 63 LYS H . 25972 1 623 . 1 1 63 63 LYS HA H 1 3.856 0.000 . . . . . A 63 LYS HA . 25972 1 624 . 1 1 63 63 LYS HB2 H 1 1.932 0.000 . . . . . A 63 LYS HB2 . 25972 1 625 . 1 1 63 63 LYS HG2 H 1 1.401 0.000 . . . . . A 63 LYS HG2 . 25972 1 626 . 1 1 63 63 LYS HD2 H 1 1.755 0.000 . . . . . A 63 LYS HD2 . 25972 1 627 . 1 1 63 63 LYS HE2 H 1 2.950 0.000 . . . . . A 63 LYS HE2 . 25972 1 628 . 1 1 63 63 LYS C C 13 173.326 0.000 . . . . . A 63 LYS C . 25972 1 629 . 1 1 63 63 LYS CA C 13 55.335 0.017 . . . . . A 63 LYS CA . 25972 1 630 . 1 1 63 63 LYS CB C 13 29.776 0.028 . . . . . A 63 LYS CB . 25972 1 631 . 1 1 63 63 LYS CG C 13 21.363 0.000 . . . . . A 63 LYS CG . 25972 1 632 . 1 1 63 63 LYS CD C 13 27.198 0.000 . . . . . A 63 LYS CD . 25972 1 633 . 1 1 63 63 LYS CE C 13 39.367 0.000 . . . . . A 63 LYS CE . 25972 1 634 . 1 1 63 63 LYS N N 15 120.584 0.067 . . . . . A 63 LYS N . 25972 1 635 . 1 1 64 64 GLU H H 1 9.263 0.001 . . . . . A 64 GLU H . 25972 1 636 . 1 1 64 64 GLU HA H 1 3.246 0.000 . . . . . A 64 GLU HA . 25972 1 637 . 1 1 64 64 GLU HB2 H 1 2.152 0.000 . . . . . A 64 GLU HB2 . 25972 1 638 . 1 1 64 64 GLU HG2 H 1 2.420 0.000 . . . . . A 64 GLU HG2 . 25972 1 639 . 1 1 64 64 GLU C C 13 172.458 0.000 . . . . . A 64 GLU C . 25972 1 640 . 1 1 64 64 GLU CA C 13 55.717 0.107 . . . . . A 64 GLU CA . 25972 1 641 . 1 1 64 64 GLU CB C 13 23.352 0.016 . . . . . A 64 GLU CB . 25972 1 642 . 1 1 64 64 GLU CG C 13 34.635 0.000 . . . . . A 64 GLU CG . 25972 1 643 . 1 1 64 64 GLU N N 15 115.246 0.017 . . . . . A 64 GLU N . 25972 1 644 . 1 1 65 65 SER H H 1 7.749 0.001 . . . . . A 65 SER H . 25972 1 645 . 1 1 65 65 SER HA H 1 4.530 0.000 . . . . . A 65 SER HA . 25972 1 646 . 1 1 65 65 SER HB2 H 1 3.830 0.000 . . . . . A 65 SER HB2 . 25972 1 647 . 1 1 65 65 SER HB3 H 1 3.585 0.000 . . . . . A 65 SER HB3 . 25972 1 648 . 1 1 65 65 SER C C 13 169.283 0.000 . . . . . A 65 SER C . 25972 1 649 . 1 1 65 65 SER CA C 13 58.417 0.035 . . . . . A 65 SER CA . 25972 1 650 . 1 1 65 65 SER CB C 13 62.184 0.005 . . . . . A 65 SER CB . 25972 1 651 . 1 1 65 65 SER N N 15 115.343 0.031 . . . . . A 65 SER N . 25972 1 652 . 1 1 66 66 THR H H 1 8.643 0.002 . . . . . A 66 THR H . 25972 1 653 . 1 1 66 66 THR HA H 1 5.187 0.000 . . . . . A 66 THR HA . 25972 1 654 . 1 1 66 66 THR HB H 1 3.990 0.000 . . . . . A 66 THR HB . 25972 1 655 . 1 1 66 66 THR HG21 H 1 0.877 0.000 . . . . . A 66 THR HG21 . 25972 1 656 . 1 1 66 66 THR HG22 H 1 0.877 0.000 . . . . . A 66 THR HG22 . 25972 1 657 . 1 1 66 66 THR HG23 H 1 0.877 0.000 . . . . . A 66 THR HG23 . 25972 1 658 . 1 1 66 66 THR C C 13 170.924 0.000 . . . . . A 66 THR C . 25972 1 659 . 1 1 66 66 THR CA C 13 59.839 0.020 . . . . . A 66 THR CA . 25972 1 660 . 1 1 66 66 THR CB C 13 67.484 0.014 . . . . . A 66 THR CB . 25972 1 661 . 1 1 66 66 THR CG2 C 13 18.824 0.000 . . . . . A 66 THR CG2 . 25972 1 662 . 1 1 66 66 THR N N 15 117.280 0.012 . . . . . A 66 THR N . 25972 1 663 . 1 1 67 67 LEU H H 1 9.371 0.001 . . . . . A 67 LEU H . 25972 1 664 . 1 1 67 67 LEU HA H 1 5.001 0.000 . . . . . A 67 LEU HA . 25972 1 665 . 1 1 67 67 LEU HB2 H 1 1.621 0.000 . . . . . A 67 LEU HB2 . 25972 1 666 . 1 1 67 67 LEU HG H 1 1.554 0.000 . . . . . A 67 LEU HG . 25972 1 667 . 1 1 67 67 LEU HD11 H 1 0.555 0.000 . . . . . A 67 LEU HD11 . 25972 1 668 . 1 1 67 67 LEU HD12 H 1 0.555 0.000 . . . . . A 67 LEU HD12 . 25972 1 669 . 1 1 67 67 LEU HD13 H 1 0.555 0.000 . . . . . A 67 LEU HD13 . 25972 1 670 . 1 1 67 67 LEU HD21 H 1 0.555 0.000 . . . . . A 67 LEU HD21 . 25972 1 671 . 1 1 67 67 LEU HD22 H 1 0.555 0.000 . . . . . A 67 LEU HD22 . 25972 1 672 . 1 1 67 67 LEU HD23 H 1 0.555 0.000 . . . . . A 67 LEU HD23 . 25972 1 673 . 1 1 67 67 LEU C C 13 172.619 0.000 . . . . . A 67 LEU C . 25972 1 674 . 1 1 67 67 LEU CA C 13 51.194 0.010 . . . . . A 67 LEU CA . 25972 1 675 . 1 1 67 67 LEU CB C 13 41.840 0.046 . . . . . A 67 LEU CB . 25972 1 676 . 1 1 67 67 LEU CG C 13 26.950 0.000 . . . . . A 67 LEU CG . 25972 1 677 . 1 1 67 67 LEU CD1 C 13 22.558 0.000 . . . . . A 67 LEU CD1 . 25972 1 678 . 1 1 67 67 LEU CD2 C 13 22.057 0.000 . . . . . A 67 LEU CD2 . 25972 1 679 . 1 1 67 67 LEU N N 15 128.021 0.014 . . . . . A 67 LEU N . 25972 1 680 . 1 1 68 68 HIS H H 1 9.153 0.001 . . . . . A 68 HIS H . 25972 1 681 . 1 1 68 68 HIS HA H 1 5.079 0.000 . . . . . A 68 HIS HA . 25972 1 682 . 1 1 68 68 HIS HB2 H 1 3.017 0.000 . . . . . A 68 HIS HB2 . 25972 1 683 . 1 1 68 68 HIS HB3 H 1 2.789 0.000 . . . . . A 68 HIS HB3 . 25972 1 684 . 1 1 68 68 HIS C C 13 170.775 0.000 . . . . . A 68 HIS C . 25972 1 685 . 1 1 68 68 HIS CA C 13 53.123 0.063 . . . . . A 68 HIS CA . 25972 1 686 . 1 1 68 68 HIS CB C 13 29.299 0.045 . . . . . A 68 HIS CB . 25972 1 687 . 1 1 68 68 HIS N N 15 118.799 0.051 . . . . . A 68 HIS N . 25972 1 688 . 1 1 69 69 LEU H H 1 8.228 0.002 . . . . . A 69 LEU H . 25972 1 689 . 1 1 69 69 LEU HA H 1 5.103 0.000 . . . . . A 69 LEU HA . 25972 1 690 . 1 1 69 69 LEU HB2 H 1 1.506 0.000 . . . . . A 69 LEU HB2 . 25972 1 691 . 1 1 69 69 LEU HB3 H 1 1.231 0.000 . . . . . A 69 LEU HB3 . 25972 1 692 . 1 1 69 69 LEU HG H 1 1.024 0.000 . . . . . A 69 LEU HG . 25972 1 693 . 1 1 69 69 LEU HD21 H 1 0.683 0.000 . . . . . A 69 LEU HD21 . 25972 1 694 . 1 1 69 69 LEU HD22 H 1 0.683 0.000 . . . . . A 69 LEU HD22 . 25972 1 695 . 1 1 69 69 LEU HD23 H 1 0.683 0.000 . . . . . A 69 LEU HD23 . 25972 1 696 . 1 1 69 69 LEU C C 13 172.631 0.000 . . . . . A 69 LEU C . 25972 1 697 . 1 1 69 69 LEU CA C 13 51.018 0.058 . . . . . A 69 LEU CA . 25972 1 698 . 1 1 69 69 LEU CB C 13 41.605 0.014 . . . . . A 69 LEU CB . 25972 1 699 . 1 1 69 69 LEU CG C 13 24.968 0.000 . . . . . A 69 LEU CG . 25972 1 700 . 1 1 69 69 LEU CD1 C 13 23.340 0.000 . . . . . A 69 LEU CD1 . 25972 1 701 . 1 1 69 69 LEU CD2 C 13 21.270 0.000 . . . . . A 69 LEU CD2 . 25972 1 702 . 1 1 69 69 LEU N N 15 123.850 0.039 . . . . . A 69 LEU N . 25972 1 703 . 1 1 70 70 VAL H H 1 9.104 0.002 . . . . . A 70 VAL H . 25972 1 704 . 1 1 70 70 VAL HB H 1 1.937 0.000 . . . . . A 70 VAL HB . 25972 1 705 . 1 1 70 70 VAL HG11 H 1 0.803 0.000 . . . . . A 70 VAL HG11 . 25972 1 706 . 1 1 70 70 VAL HG12 H 1 0.803 0.000 . . . . . A 70 VAL HG12 . 25972 1 707 . 1 1 70 70 VAL HG13 H 1 0.803 0.000 . . . . . A 70 VAL HG13 . 25972 1 708 . 1 1 70 70 VAL HG21 H 1 0.803 0.000 . . . . . A 70 VAL HG21 . 25972 1 709 . 1 1 70 70 VAL HG22 H 1 0.803 0.000 . . . . . A 70 VAL HG22 . 25972 1 710 . 1 1 70 70 VAL HG23 H 1 0.803 0.000 . . . . . A 70 VAL HG23 . 25972 1 711 . 1 1 70 70 VAL CA C 13 57.924 0.032 . . . . . A 70 VAL CA . 25972 1 712 . 1 1 70 70 VAL CB C 13 32.129 0.016 . . . . . A 70 VAL CB . 25972 1 713 . 1 1 70 70 VAL CG1 C 13 17.965 0.000 . . . . . A 70 VAL CG1 . 25972 1 714 . 1 1 70 70 VAL CG2 C 13 18.680 0.000 . . . . . A 70 VAL CG2 . 25972 1 715 . 1 1 70 70 VAL N N 15 126.798 0.027 . . . . . A 70 VAL N . 25972 1 716 . 1 1 71 71 LEU H H 1 8.092 0.003 . . . . . A 71 LEU H . 25972 1 717 . 1 1 71 71 LEU HA H 1 4.924 0.000 . . . . . A 71 LEU HA . 25972 1 718 . 1 1 71 71 LEU HB2 H 1 1.592 0.000 . . . . . A 71 LEU HB2 . 25972 1 719 . 1 1 71 71 LEU HG H 1 1.440 0.000 . . . . . A 71 LEU HG . 25972 1 720 . 1 1 71 71 LEU HD11 H 1 0.833 0.000 . . . . . A 71 LEU HD11 . 25972 1 721 . 1 1 71 71 LEU HD12 H 1 0.833 0.000 . . . . . A 71 LEU HD12 . 25972 1 722 . 1 1 71 71 LEU HD13 H 1 0.833 0.000 . . . . . A 71 LEU HD13 . 25972 1 723 . 1 1 71 71 LEU HD21 H 1 0.833 0.000 . . . . . A 71 LEU HD21 . 25972 1 724 . 1 1 71 71 LEU HD22 H 1 0.833 0.000 . . . . . A 71 LEU HD22 . 25972 1 725 . 1 1 71 71 LEU HD23 H 1 0.833 0.000 . . . . . A 71 LEU HD23 . 25972 1 726 . 1 1 71 71 LEU C C 13 175.094 0.000 . . . . . A 71 LEU C . 25972 1 727 . 1 1 71 71 LEU CA C 13 51.286 0.039 . . . . . A 71 LEU CA . 25972 1 728 . 1 1 71 71 LEU CB C 13 40.046 0.027 . . . . . A 71 LEU CB . 25972 1 729 . 1 1 71 71 LEU CG C 13 24.887 0.000 . . . . . A 71 LEU CG . 25972 1 730 . 1 1 71 71 LEU CD1 C 13 22.343 0.000 . . . . . A 71 LEU CD1 . 25972 1 731 . 1 1 71 71 LEU CD2 C 13 21.243 0.000 . . . . . A 71 LEU CD2 . 25972 1 732 . 1 1 71 71 LEU N N 15 123.291 0.032 . . . . . A 71 LEU N . 25972 1 733 . 1 1 72 72 ARG H H 1 8.530 0.001 . . . . . A 72 ARG H . 25972 1 734 . 1 1 72 72 ARG HA H 1 4.187 0.000 . . . . . A 72 ARG HA . 25972 1 735 . 1 1 72 72 ARG HB2 H 1 1.676 0.000 . . . . . A 72 ARG HB2 . 25972 1 736 . 1 1 72 72 ARG HG2 H 1 1.441 0.000 . . . . . A 72 ARG HG2 . 25972 1 737 . 1 1 72 72 ARG HD2 H 1 3.061 0.000 . . . . . A 72 ARG HD2 . 25972 1 738 . 1 1 72 72 ARG C C 13 172.602 0.000 . . . . . A 72 ARG C . 25972 1 739 . 1 1 72 72 ARG CA C 13 52.984 0.021 . . . . . A 72 ARG CA . 25972 1 740 . 1 1 72 72 ARG CB C 13 28.598 0.017 . . . . . A 72 ARG CB . 25972 1 741 . 1 1 72 72 ARG CG C 13 24.560 0.000 . . . . . A 72 ARG CG . 25972 1 742 . 1 1 72 72 ARG CD C 13 40.820 0.000 . . . . . A 72 ARG CD . 25972 1 743 . 1 1 72 72 ARG N N 15 123.645 0.015 . . . . . A 72 ARG N . 25972 1 744 . 1 1 73 73 LEU H H 1 8.293 0.001 . . . . . A 73 LEU H . 25972 1 745 . 1 1 73 73 LEU HA H 1 4.298 0.000 . . . . . A 73 LEU HA . 25972 1 746 . 1 1 73 73 LEU HB2 H 1 1.531 0.000 . . . . . A 73 LEU HB2 . 25972 1 747 . 1 1 73 73 LEU HG H 1 1.531 0.000 . . . . . A 73 LEU HG . 25972 1 748 . 1 1 73 73 LEU HD11 H 1 0.815 0.000 . . . . . A 73 LEU HD11 . 25972 1 749 . 1 1 73 73 LEU HD12 H 1 0.815 0.000 . . . . . A 73 LEU HD12 . 25972 1 750 . 1 1 73 73 LEU HD13 H 1 0.815 0.000 . . . . . A 73 LEU HD13 . 25972 1 751 . 1 1 73 73 LEU HD21 H 1 0.815 0.000 . . . . . A 73 LEU HD21 . 25972 1 752 . 1 1 73 73 LEU HD22 H 1 0.815 0.000 . . . . . A 73 LEU HD22 . 25972 1 753 . 1 1 73 73 LEU HD23 H 1 0.815 0.000 . . . . . A 73 LEU HD23 . 25972 1 754 . 1 1 73 73 LEU C C 13 174.677 0.000 . . . . . A 73 LEU C . 25972 1 755 . 1 1 73 73 LEU CA C 13 52.180 0.071 . . . . . A 73 LEU CA . 25972 1 756 . 1 1 73 73 LEU CB C 13 39.729 0.039 . . . . . A 73 LEU CB . 25972 1 757 . 1 1 73 73 LEU CG C 13 24.442 0.000 . . . . . A 73 LEU CG . 25972 1 758 . 1 1 73 73 LEU CD1 C 13 22.265 0.000 . . . . . A 73 LEU CD1 . 25972 1 759 . 1 1 73 73 LEU CD2 C 13 20.721 0.000 . . . . . A 73 LEU CD2 . 25972 1 760 . 1 1 73 73 LEU N N 15 124.507 0.013 . . . . . A 73 LEU N . 25972 1 761 . 1 1 74 74 ARG H H 1 8.358 0.001 . . . . . A 74 ARG H . 25972 1 762 . 1 1 74 74 ARG HA H 1 4.213 0.000 . . . . . A 74 ARG HA . 25972 1 763 . 1 1 74 74 ARG HB2 H 1 1.750 0.000 . . . . . A 74 ARG HB2 . 25972 1 764 . 1 1 74 74 ARG HG2 H 1 1.557 0.000 . . . . . A 74 ARG HG2 . 25972 1 765 . 1 1 74 74 ARG HD2 H 1 3.120 0.000 . . . . . A 74 ARG HD2 . 25972 1 766 . 1 1 74 74 ARG C C 13 174.093 0.000 . . . . . A 74 ARG C . 25972 1 767 . 1 1 74 74 ARG CA C 13 53.793 0.017 . . . . . A 74 ARG CA . 25972 1 768 . 1 1 74 74 ARG CB C 13 27.972 0.031 . . . . . A 74 ARG CB . 25972 1 769 . 1 1 74 74 ARG CG C 13 24.380 0.000 . . . . . A 74 ARG CG . 25972 1 770 . 1 1 74 74 ARG CD C 13 40.669 0.000 . . . . . A 74 ARG CD . 25972 1 771 . 1 1 74 74 ARG N N 15 121.922 0.013 . . . . . A 74 ARG N . 25972 1 772 . 1 1 75 75 GLY H H 1 8.413 0.001 . . . . . A 75 GLY H . 25972 1 773 . 1 1 75 75 GLY HA2 H 1 3.878 0.000 . . . . . A 75 GLY HA2 . 25972 1 774 . 1 1 75 75 GLY C C 13 170.901 0.000 . . . . . A 75 GLY C . 25972 1 775 . 1 1 75 75 GLY CA C 13 42.518 0.018 . . . . . A 75 GLY CA . 25972 1 776 . 1 1 75 75 GLY N N 15 111.019 0.009 . . . . . A 75 GLY N . 25972 1 777 . 1 1 76 76 GLY H H 1 7.884 0.001 . . . . . A 76 GLY H . 25972 1 778 . 1 1 76 76 GLY CA C 13 43.318 0.000 . . . . . A 76 GLY CA . 25972 1 779 . 1 1 76 76 GLY N N 15 115.098 0.007 . . . . . A 76 GLY N . 25972 1 stop_ save_