data_25973 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25973 _Entry.Title ; Solution structure of V26A mutant of Ubiquitin at pH 2.0 ; _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 2.0' _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 . . . . 25973 2 Ranabir Das . . . . 25973 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' . 25973 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Ubiquitin . 25973 'V26A mutant' . 25973 'late folding intermediate' . 25973 'pH 2.0' . 25973 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25973 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 302 25973 '15N chemical shifts' 71 25973 '1H chemical shifts' 395 25973 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' 25973 1 . . 2016-05-23 2016-02-04 original author 'original release' 25973 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25972 'V26A mutant of Ubiquitin at pH 6.0' 25973 PDB 2NBE 'BMRB Entry Tracking System' 25973 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25973 _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 . . . . 25973 1 2 Ranabir Das . . . . 25973 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25973 _Assembly.ID 1 _Assembly.Name 'V26A mutant of Ubiquitin at pH 2.0' _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 . . . 25973 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25973 _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 . 25973 1 2 2 GLN . 25973 1 3 3 ILE . 25973 1 4 4 PHE . 25973 1 5 5 VAL . 25973 1 6 6 LYS . 25973 1 7 7 THR . 25973 1 8 8 LEU . 25973 1 9 9 THR . 25973 1 10 10 GLY . 25973 1 11 11 LYS . 25973 1 12 12 THR . 25973 1 13 13 ILE . 25973 1 14 14 THR . 25973 1 15 15 LEU . 25973 1 16 16 GLU . 25973 1 17 17 VAL . 25973 1 18 18 GLU . 25973 1 19 19 PRO . 25973 1 20 20 SER . 25973 1 21 21 ASP . 25973 1 22 22 THR . 25973 1 23 23 ILE . 25973 1 24 24 GLU . 25973 1 25 25 ASN . 25973 1 26 26 ALA . 25973 1 27 27 LYS . 25973 1 28 28 ALA . 25973 1 29 29 LYS . 25973 1 30 30 ILE . 25973 1 31 31 GLN . 25973 1 32 32 ASP . 25973 1 33 33 LYS . 25973 1 34 34 GLU . 25973 1 35 35 GLY . 25973 1 36 36 ILE . 25973 1 37 37 PRO . 25973 1 38 38 PRO . 25973 1 39 39 ASP . 25973 1 40 40 GLN . 25973 1 41 41 GLN . 25973 1 42 42 ARG . 25973 1 43 43 LEU . 25973 1 44 44 ILE . 25973 1 45 45 PHE . 25973 1 46 46 ALA . 25973 1 47 47 GLY . 25973 1 48 48 LYS . 25973 1 49 49 GLN . 25973 1 50 50 LEU . 25973 1 51 51 GLU . 25973 1 52 52 ASP . 25973 1 53 53 GLY . 25973 1 54 54 ARG . 25973 1 55 55 THR . 25973 1 56 56 LEU . 25973 1 57 57 SER . 25973 1 58 58 ASP . 25973 1 59 59 TYR . 25973 1 60 60 ASN . 25973 1 61 61 ILE . 25973 1 62 62 GLN . 25973 1 63 63 LYS . 25973 1 64 64 GLU . 25973 1 65 65 SER . 25973 1 66 66 THR . 25973 1 67 67 LEU . 25973 1 68 68 HIS . 25973 1 69 69 LEU . 25973 1 70 70 VAL . 25973 1 71 71 LEU . 25973 1 72 72 ARG . 25973 1 73 73 LEU . 25973 1 74 74 ARG . 25973 1 75 75 GLY . 25973 1 76 76 GLY . 25973 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 25973 1 . GLN 2 2 25973 1 . ILE 3 3 25973 1 . PHE 4 4 25973 1 . VAL 5 5 25973 1 . LYS 6 6 25973 1 . THR 7 7 25973 1 . LEU 8 8 25973 1 . THR 9 9 25973 1 . GLY 10 10 25973 1 . LYS 11 11 25973 1 . THR 12 12 25973 1 . ILE 13 13 25973 1 . THR 14 14 25973 1 . LEU 15 15 25973 1 . GLU 16 16 25973 1 . VAL 17 17 25973 1 . GLU 18 18 25973 1 . PRO 19 19 25973 1 . SER 20 20 25973 1 . ASP 21 21 25973 1 . THR 22 22 25973 1 . ILE 23 23 25973 1 . GLU 24 24 25973 1 . ASN 25 25 25973 1 . ALA 26 26 25973 1 . LYS 27 27 25973 1 . ALA 28 28 25973 1 . LYS 29 29 25973 1 . ILE 30 30 25973 1 . GLN 31 31 25973 1 . ASP 32 32 25973 1 . LYS 33 33 25973 1 . GLU 34 34 25973 1 . GLY 35 35 25973 1 . ILE 36 36 25973 1 . PRO 37 37 25973 1 . PRO 38 38 25973 1 . ASP 39 39 25973 1 . GLN 40 40 25973 1 . GLN 41 41 25973 1 . ARG 42 42 25973 1 . LEU 43 43 25973 1 . ILE 44 44 25973 1 . PHE 45 45 25973 1 . ALA 46 46 25973 1 . GLY 47 47 25973 1 . LYS 48 48 25973 1 . GLN 49 49 25973 1 . LEU 50 50 25973 1 . GLU 51 51 25973 1 . ASP 52 52 25973 1 . GLY 53 53 25973 1 . ARG 54 54 25973 1 . THR 55 55 25973 1 . LEU 56 56 25973 1 . SER 57 57 25973 1 . ASP 58 58 25973 1 . TYR 59 59 25973 1 . ASN 60 60 25973 1 . ILE 61 61 25973 1 . GLN 62 62 25973 1 . LYS 63 63 25973 1 . GLU 64 64 25973 1 . SER 65 65 25973 1 . THR 66 66 25973 1 . LEU 67 67 25973 1 . HIS 68 68 25973 1 . LEU 69 69 25973 1 . VAL 70 70 25973 1 . LEU 71 71 25973 1 . ARG 72 72 25973 1 . LEU 73 73 25973 1 . ARG 74 74 25973 1 . GLY 75 75 25973 1 . GLY 76 76 25973 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 25973 _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 . . . . . . . . . . . . . 25973 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 25973 _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 . . . . . . pQL . . . 25973 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25973 _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 . . . . 25973 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25973 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25973 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 25973 _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 25973 1 pH 2.0 . pH 25973 1 pressure 1 . atm 25973 1 temperature 298 . K 25973 1 stop_ save_ ############################ # Computer software used # ############################ save_sparky _Software.Sf_category software _Software.Sf_framecode sparky _Software.Entry_ID 25973 _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 . . 25973 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25973 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 25973 _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 25973 _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' . . 25973 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 25973 _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 . . . . . . . . . . . . . . . . 25973 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25973 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25973 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25973 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25973 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25973 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25973 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25973 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 25973 _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 . . . . . 25973 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25973 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25973 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 25973 _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' . . . 25973 1 2 '3D HNCO' . . . 25973 1 3 '3D HNCA' . . . 25973 1 4 '3D HNCACB' . . . 25973 1 5 '3D CBCA(CO)NH' . . . 25973 1 6 '3D C(CO)NH' . . . 25973 1 7 '3D H(CCO)NH' . . . 25973 1 8 '3D 1H-15N NOESY' . . . 25973 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 4.179 0.000 . . . . . A 1 MET HA . 25973 1 2 . 1 1 1 1 MET HB2 H 1 2.006 0.000 . . . . . A 1 MET HB2 . 25973 1 3 . 1 1 1 1 MET HG2 H 1 2.284 0.000 . . . . . A 1 MET HG2 . 25973 1 4 . 1 1 1 1 MET C C 13 167.503 0.000 . . . . . A 1 MET C . 25973 1 5 . 1 1 1 1 MET CA C 13 51.968 0.000 . . . . . A 1 MET CA . 25973 1 6 . 1 1 1 1 MET CB C 13 30.681 0.000 . . . . . A 1 MET CB . 25973 1 7 . 1 1 1 1 MET CG C 13 29.978 0.000 . . . . . A 1 MET CG . 25973 1 8 . 1 1 2 2 GLN H H 1 8.807 0.005 . . . . . A 2 GLN H . 25973 1 9 . 1 1 2 2 GLN HA H 1 5.089 0.000 . . . . . A 2 GLN HA . 25973 1 10 . 1 1 2 2 GLN HB2 H 1 1.794 0.000 . . . . . A 2 GLN HB2 . 25973 1 11 . 1 1 2 2 GLN HB3 H 1 1.638 0.000 . . . . . A 2 GLN HB3 . 25973 1 12 . 1 1 2 2 GLN HG2 H 1 2.038 0.000 . . . . . A 2 GLN HG2 . 25973 1 13 . 1 1 2 2 GLN C C 13 172.479 0.000 . . . . . A 2 GLN C . 25973 1 14 . 1 1 2 2 GLN CA C 13 52.320 0.000 . . . . . A 2 GLN CA . 25973 1 15 . 1 1 2 2 GLN CB C 13 28.181 0.000 . . . . . A 2 GLN CB . 25973 1 16 . 1 1 2 2 GLN CG C 13 31.983 0.000 . . . . . A 2 GLN CG . 25973 1 17 . 1 1 2 2 GLN N N 15 124.960 0.092 . . . . . A 2 GLN N . 25973 1 18 . 1 1 3 3 ILE H H 1 8.237 0.002 . . . . . A 3 ILE H . 25973 1 19 . 1 1 3 3 ILE HA H 1 4.178 0.000 . . . . . A 3 ILE HA . 25973 1 20 . 1 1 3 3 ILE HB H 1 1.729 0.000 . . . . . A 3 ILE HB . 25973 1 21 . 1 1 3 3 ILE HG13 H 1 0.931 0.000 . . . . . A 3 ILE HG13 . 25973 1 22 . 1 1 3 3 ILE HG21 H 1 0.696 0.000 . . . . . A 3 ILE HG21 . 25973 1 23 . 1 1 3 3 ILE HG22 H 1 0.696 0.000 . . . . . A 3 ILE HG22 . 25973 1 24 . 1 1 3 3 ILE HG23 H 1 0.696 0.000 . . . . . A 3 ILE HG23 . 25973 1 25 . 1 1 3 3 ILE HD11 H 1 0.524 0.000 . . . . . A 3 ILE HD11 . 25973 1 26 . 1 1 3 3 ILE HD12 H 1 0.524 0.000 . . . . . A 3 ILE HD12 . 25973 1 27 . 1 1 3 3 ILE HD13 H 1 0.524 0.000 . . . . . A 3 ILE HD13 . 25973 1 28 . 1 1 3 3 ILE C C 13 169.813 0.000 . . . . . A 3 ILE C . 25973 1 29 . 1 1 3 3 ILE CA C 13 56.621 0.000 . . . . . A 3 ILE CA . 25973 1 30 . 1 1 3 3 ILE CB C 13 39.105 0.000 . . . . . A 3 ILE CB . 25973 1 31 . 1 1 3 3 ILE CG1 C 13 22.566 0.000 . . . . . A 3 ILE CG1 . 25973 1 32 . 1 1 3 3 ILE CG2 C 13 15.345 0.000 . . . . . A 3 ILE CG2 . 25973 1 33 . 1 1 3 3 ILE CD1 C 13 11.261 0.000 . . . . . A 3 ILE CD1 . 25973 1 34 . 1 1 3 3 ILE N N 15 116.556 0.014 . . . . . A 3 ILE N . 25973 1 35 . 1 1 4 4 PHE H H 1 8.675 0.002 . . . . . A 4 PHE H . 25973 1 36 . 1 1 4 4 PHE HA H 1 5.499 0.000 . . . . . A 4 PHE HA . 25973 1 37 . 1 1 4 4 PHE HB2 H 1 2.979 0.000 . . . . . A 4 PHE HB2 . 25973 1 38 . 1 1 4 4 PHE HB3 H 1 2.785 0.000 . . . . . A 4 PHE HB3 . 25973 1 39 . 1 1 4 4 PHE C C 13 172.505 0.000 . . . . . A 4 PHE C . 25973 1 40 . 1 1 4 4 PHE CA C 13 52.824 0.000 . . . . . A 4 PHE CA . 25973 1 41 . 1 1 4 4 PHE CB C 13 38.890 0.000 . . . . . A 4 PHE CB . 25973 1 42 . 1 1 4 4 PHE N N 15 118.417 0.041 . . . . . A 4 PHE N . 25973 1 43 . 1 1 5 5 VAL H H 1 9.190 0.002 . . . . . A 5 VAL H . 25973 1 44 . 1 1 5 5 VAL HA H 1 4.587 0.000 . . . . . A 5 VAL HA . 25973 1 45 . 1 1 5 5 VAL HB H 1 1.832 0.000 . . . . . A 5 VAL HB . 25973 1 46 . 1 1 5 5 VAL HG11 H 1 0.638 0.000 . . . . . A 5 VAL HG11 . 25973 1 47 . 1 1 5 5 VAL HG12 H 1 0.638 0.000 . . . . . A 5 VAL HG12 . 25973 1 48 . 1 1 5 5 VAL HG13 H 1 0.638 0.000 . . . . . A 5 VAL HG13 . 25973 1 49 . 1 1 5 5 VAL C C 13 172.070 0.000 . . . . . A 5 VAL C . 25973 1 50 . 1 1 5 5 VAL CA C 13 58.120 0.000 . . . . . A 5 VAL CA . 25973 1 51 . 1 1 5 5 VAL CB C 13 32.048 0.000 . . . . . A 5 VAL CB . 25973 1 52 . 1 1 5 5 VAL CG1 C 13 19.894 0.000 . . . . . A 5 VAL CG1 . 25973 1 53 . 1 1 5 5 VAL CG2 C 13 18.106 0.000 . . . . . A 5 VAL CG2 . 25973 1 54 . 1 1 5 5 VAL N N 15 120.755 0.022 . . . . . A 5 VAL N . 25973 1 55 . 1 1 6 6 LYS H H 1 8.758 0.001 . . . . . A 6 LYS H . 25973 1 56 . 1 1 6 6 LYS HA H 1 5.238 0.000 . . . . . A 6 LYS HA . 25973 1 57 . 1 1 6 6 LYS HB2 H 1 1.524 0.000 . . . . . A 6 LYS HB2 . 25973 1 58 . 1 1 6 6 LYS HG2 H 1 1.222 0.000 . . . . . A 6 LYS HG2 . 25973 1 59 . 1 1 6 6 LYS HD2 H 1 1.524 0.000 . . . . . A 6 LYS HD2 . 25973 1 60 . 1 1 6 6 LYS HE2 H 1 2.827 0.000 . . . . . A 6 LYS HE2 . 25973 1 61 . 1 1 6 6 LYS C C 13 174.119 0.000 . . . . . A 6 LYS C . 25973 1 62 . 1 1 6 6 LYS CA C 13 51.871 0.000 . . . . . A 6 LYS CA . 25973 1 63 . 1 1 6 6 LYS CB C 13 32.668 0.000 . . . . . A 6 LYS CB . 25973 1 64 . 1 1 6 6 LYS CG C 13 22.302 0.000 . . . . . A 6 LYS CG . 25973 1 65 . 1 1 6 6 LYS CD C 13 26.714 0.000 . . . . . A 6 LYS CD . 25973 1 66 . 1 1 6 6 LYS CE C 13 39.284 0.000 . . . . . A 6 LYS CE . 25973 1 67 . 1 1 6 6 LYS N N 15 127.964 0.040 . . . . . A 6 LYS N . 25973 1 68 . 1 1 7 7 THR H H 1 8.573 0.003 . . . . . A 7 THR H . 25973 1 69 . 1 1 7 7 THR HA H 1 4.912 0.000 . . . . . A 7 THR HA . 25973 1 70 . 1 1 7 7 THR HB H 1 4.726 0.000 . . . . . A 7 THR HB . 25973 1 71 . 1 1 7 7 THR HG21 H 1 1.124 0.000 . . . . . A 7 THR HG21 . 25973 1 72 . 1 1 7 7 THR HG22 H 1 1.124 0.000 . . . . . A 7 THR HG22 . 25973 1 73 . 1 1 7 7 THR HG23 H 1 1.124 0.000 . . . . . A 7 THR HG23 . 25973 1 74 . 1 1 7 7 THR C C 13 173.994 0.000 . . . . . A 7 THR C . 25973 1 75 . 1 1 7 7 THR CA C 13 57.844 0.000 . . . . . A 7 THR CA . 25973 1 76 . 1 1 7 7 THR CB C 13 68.137 0.000 . . . . . A 7 THR CB . 25973 1 77 . 1 1 7 7 THR CG2 C 13 18.869 0.000 . . . . . A 7 THR CG2 . 25973 1 78 . 1 1 7 7 THR N N 15 115.618 0.028 . . . . . A 7 THR N . 25973 1 79 . 1 1 8 8 LEU H H 1 9.034 0.001 . . . . . A 8 LEU H . 25973 1 80 . 1 1 8 8 LEU HA H 1 4.209 0.000 . . . . . A 8 LEU HA . 25973 1 81 . 1 1 8 8 LEU HB2 H 1 1.826 0.000 . . . . . A 8 LEU HB2 . 25973 1 82 . 1 1 8 8 LEU HG H 1 1.725 0.000 . . . . . A 8 LEU HG . 25973 1 83 . 1 1 8 8 LEU HD11 H 1 0.928 0.000 . . . . . A 8 LEU HD11 . 25973 1 84 . 1 1 8 8 LEU HD12 H 1 0.928 0.000 . . . . . A 8 LEU HD12 . 25973 1 85 . 1 1 8 8 LEU HD13 H 1 0.928 0.000 . . . . . A 8 LEU HD13 . 25973 1 86 . 1 1 8 8 LEU C C 13 176.005 0.000 . . . . . A 8 LEU C . 25973 1 87 . 1 1 8 8 LEU CA C 13 55.656 0.000 . . . . . A 8 LEU CA . 25973 1 88 . 1 1 8 8 LEU CB C 13 39.247 0.000 . . . . . A 8 LEU CB . 25973 1 89 . 1 1 8 8 LEU CG C 13 24.630 0.000 . . . . . A 8 LEU CG . 25973 1 90 . 1 1 8 8 LEU CD1 C 13 22.512 0.000 . . . . . A 8 LEU CD1 . 25973 1 91 . 1 1 8 8 LEU CD2 C 13 21.171 0.000 . . . . . A 8 LEU CD2 . 25973 1 92 . 1 1 8 8 LEU N N 15 122.083 0.012 . . . . . A 8 LEU N . 25973 1 93 . 1 1 9 9 THR H H 1 7.582 0.002 . . . . . A 9 THR H . 25973 1 94 . 1 1 9 9 THR HA H 1 4.503 0.000 . . . . . A 9 THR HA . 25973 1 95 . 1 1 9 9 THR HB H 1 4.354 0.000 . . . . . A 9 THR HB . 25973 1 96 . 1 1 9 9 THR HG21 H 1 1.187 0.000 . . . . . A 9 THR HG21 . 25973 1 97 . 1 1 9 9 THR HG22 H 1 1.187 0.000 . . . . . A 9 THR HG22 . 25973 1 98 . 1 1 9 9 THR HG23 H 1 1.187 0.000 . . . . . A 9 THR HG23 . 25973 1 99 . 1 1 9 9 THR C C 13 172.624 0.000 . . . . . A 9 THR C . 25973 1 100 . 1 1 9 9 THR CA C 13 58.961 0.000 . . . . . A 9 THR CA . 25973 1 101 . 1 1 9 9 THR CB C 13 66.541 0.000 . . . . . A 9 THR CB . 25973 1 102 . 1 1 9 9 THR CG2 C 13 19.230 0.000 . . . . . A 9 THR CG2 . 25973 1 103 . 1 1 9 9 THR N N 15 105.803 0.037 . . . . . A 9 THR N . 25973 1 104 . 1 1 10 10 GLY H H 1 7.770 0.003 . . . . . A 10 GLY H . 25973 1 105 . 1 1 10 10 GLY HA2 H 1 4.228 0.000 . . . . . A 10 GLY HA2 . 25973 1 106 . 1 1 10 10 GLY HA3 H 1 3.586 0.000 . . . . . A 10 GLY HA3 . 25973 1 107 . 1 1 10 10 GLY C C 13 171.405 0.000 . . . . . A 10 GLY C . 25973 1 108 . 1 1 10 10 GLY CA C 13 42.653 0.000 . . . . . A 10 GLY CA . 25973 1 109 . 1 1 10 10 GLY N N 15 109.254 0.016 . . . . . A 10 GLY N . 25973 1 110 . 1 1 11 11 LYS H H 1 7.313 0.002 . . . . . A 11 LYS H . 25973 1 111 . 1 1 11 11 LYS HA H 1 4.308 0.000 . . . . . A 11 LYS HA . 25973 1 112 . 1 1 11 11 LYS HB2 H 1 1.696 0.000 . . . . . A 11 LYS HB2 . 25973 1 113 . 1 1 11 11 LYS HG2 H 1 1.313 0.000 . . . . . A 11 LYS HG2 . 25973 1 114 . 1 1 11 11 LYS HG3 H 1 1.238 0.000 . . . . . A 11 LYS HG3 . 25973 1 115 . 1 1 11 11 LYS HD2 H 1 1.586 0.000 . . . . . A 11 LYS HD2 . 25973 1 116 . 1 1 11 11 LYS HE2 H 1 2.891 0.000 . . . . . A 11 LYS HE2 . 25973 1 117 . 1 1 11 11 LYS C C 13 173.489 0.000 . . . . . A 11 LYS C . 25973 1 118 . 1 1 11 11 LYS CA C 13 53.385 0.000 . . . . . A 11 LYS CA . 25973 1 119 . 1 1 11 11 LYS CB C 13 30.172 0.000 . . . . . A 11 LYS CB . 25973 1 120 . 1 1 11 11 LYS CG C 13 22.125 0.000 . . . . . A 11 LYS CG . 25973 1 121 . 1 1 11 11 LYS CD C 13 26.261 0.000 . . . . . A 11 LYS CD . 25973 1 122 . 1 1 11 11 LYS CE C 13 39.500 0.000 . . . . . A 11 LYS CE . 25973 1 123 . 1 1 11 11 LYS N N 15 121.278 0.012 . . . . . A 11 LYS N . 25973 1 124 . 1 1 12 12 THR H H 1 8.659 0.001 . . . . . A 12 THR H . 25973 1 125 . 1 1 12 12 THR HA H 1 4.972 0.000 . . . . . A 12 THR HA . 25973 1 126 . 1 1 12 12 THR HB H 1 3.862 0.000 . . . . . A 12 THR HB . 25973 1 127 . 1 1 12 12 THR HG21 H 1 1.026 0.000 . . . . . A 12 THR HG21 . 25973 1 128 . 1 1 12 12 THR HG22 H 1 1.026 0.000 . . . . . A 12 THR HG22 . 25973 1 129 . 1 1 12 12 THR HG23 H 1 1.026 0.000 . . . . . A 12 THR HG23 . 25973 1 130 . 1 1 12 12 THR C C 13 171.547 0.000 . . . . . A 12 THR C . 25973 1 131 . 1 1 12 12 THR CA C 13 59.880 0.000 . . . . . A 12 THR CA . 25973 1 132 . 1 1 12 12 THR CB C 13 67.386 0.000 . . . . . A 12 THR CB . 25973 1 133 . 1 1 12 12 THR CG2 C 13 19.379 0.000 . . . . . A 12 THR CG2 . 25973 1 134 . 1 1 12 12 THR N N 15 120.644 0.040 . . . . . A 12 THR N . 25973 1 135 . 1 1 13 13 ILE H H 1 9.169 0.001 . . . . . A 13 ILE H . 25973 1 136 . 1 1 13 13 ILE HA H 1 4.538 0.000 . . . . . A 13 ILE HA . 25973 1 137 . 1 1 13 13 ILE HB H 1 1.799 0.000 . . . . . A 13 ILE HB . 25973 1 138 . 1 1 13 13 ILE HG12 H 1 1.320 0.000 . . . . . A 13 ILE HG12 . 25973 1 139 . 1 1 13 13 ILE HG13 H 1 0.981 0.000 . . . . . A 13 ILE HG13 . 25973 1 140 . 1 1 13 13 ILE HG21 H 1 0.782 0.000 . . . . . A 13 ILE HG21 . 25973 1 141 . 1 1 13 13 ILE HG22 H 1 0.782 0.000 . . . . . A 13 ILE HG22 . 25973 1 142 . 1 1 13 13 ILE HG23 H 1 0.782 0.000 . . . . . A 13 ILE HG23 . 25973 1 143 . 1 1 13 13 ILE HD11 H 1 0.614 0.000 . . . . . A 13 ILE HD11 . 25973 1 144 . 1 1 13 13 ILE HD12 H 1 0.614 0.000 . . . . . A 13 ILE HD12 . 25973 1 145 . 1 1 13 13 ILE HD13 H 1 0.614 0.000 . . . . . A 13 ILE HD13 . 25973 1 146 . 1 1 13 13 ILE C C 13 172.300 0.000 . . . . . A 13 ILE C . 25973 1 147 . 1 1 13 13 ILE CA C 13 57.114 0.000 . . . . . A 13 ILE CA . 25973 1 148 . 1 1 13 13 ILE CB C 13 38.695 0.000 . . . . . A 13 ILE CB . 25973 1 149 . 1 1 13 13 ILE CG1 C 13 24.133 0.000 . . . . . A 13 ILE CG1 . 25973 1 150 . 1 1 13 13 ILE CG2 C 13 15.125 0.000 . . . . . A 13 ILE CG2 . 25973 1 151 . 1 1 13 13 ILE CD1 C 13 11.804 0.000 . . . . . A 13 ILE CD1 . 25973 1 152 . 1 1 13 13 ILE N N 15 125.497 0.044 . . . . . A 13 ILE N . 25973 1 153 . 1 1 14 14 THR H H 1 8.596 0.002 . . . . . A 14 THR H . 25973 1 154 . 1 1 14 14 THR HA H 1 4.883 0.000 . . . . . A 14 THR HA . 25973 1 155 . 1 1 14 14 THR HB H 1 3.928 0.000 . . . . . A 14 THR HB . 25973 1 156 . 1 1 14 14 THR HG21 H 1 1.012 0.000 . . . . . A 14 THR HG21 . 25973 1 157 . 1 1 14 14 THR HG22 H 1 1.012 0.000 . . . . . A 14 THR HG22 . 25973 1 158 . 1 1 14 14 THR HG23 H 1 1.012 0.000 . . . . . A 14 THR HG23 . 25973 1 159 . 1 1 14 14 THR C C 13 170.915 0.000 . . . . . A 14 THR C . 25973 1 160 . 1 1 14 14 THR CA C 13 58.998 0.000 . . . . . A 14 THR CA . 25973 1 161 . 1 1 14 14 THR CB C 13 67.221 0.000 . . . . . A 14 THR CB . 25973 1 162 . 1 1 14 14 THR CG2 C 13 19.292 0.000 . . . . . A 14 THR CG2 . 25973 1 163 . 1 1 14 14 THR N N 15 120.078 0.046 . . . . . A 14 THR N . 25973 1 164 . 1 1 15 15 LEU H H 1 8.706 0.003 . . . . . A 15 LEU H . 25973 1 165 . 1 1 15 15 LEU HA H 1 4.756 0.000 . . . . . A 15 LEU HA . 25973 1 166 . 1 1 15 15 LEU HB2 H 1 1.543 0.000 . . . . . A 15 LEU HB2 . 25973 1 167 . 1 1 15 15 LEU HG H 1 1.197 0.000 . . . . . A 15 LEU HG . 25973 1 168 . 1 1 15 15 LEU HD21 H 1 0.634 0.000 . . . . . A 15 LEU HD21 . 25973 1 169 . 1 1 15 15 LEU HD22 H 1 0.634 0.000 . . . . . A 15 LEU HD22 . 25973 1 170 . 1 1 15 15 LEU HD23 H 1 0.634 0.000 . . . . . A 15 LEU HD23 . 25973 1 171 . 1 1 15 15 LEU C C 13 172.377 0.000 . . . . . A 15 LEU C . 25973 1 172 . 1 1 15 15 LEU CA C 13 50.001 0.000 . . . . . A 15 LEU CA . 25973 1 173 . 1 1 15 15 LEU CB C 13 44.121 0.000 . . . . . A 15 LEU CB . 25973 1 174 . 1 1 15 15 LEU CG C 13 24.290 0.000 . . . . . A 15 LEU CG . 25973 1 175 . 1 1 15 15 LEU CD1 C 13 22.799 0.000 . . . . . A 15 LEU CD1 . 25973 1 176 . 1 1 15 15 LEU CD2 C 13 21.081 0.000 . . . . . A 15 LEU CD2 . 25973 1 177 . 1 1 15 15 LEU N N 15 124.381 0.027 . . . . . A 15 LEU N . 25973 1 178 . 1 1 16 16 GLU H H 1 8.259 0.008 . . . . . A 16 GLU H . 25973 1 179 . 1 1 16 16 GLU HA H 1 4.852 0.000 . . . . . A 16 GLU HA . 25973 1 180 . 1 1 16 16 GLU HB2 H 1 1.872 0.000 . . . . . A 16 GLU HB2 . 25973 1 181 . 1 1 16 16 GLU HG2 H 1 2.350 0.000 . . . . . A 16 GLU HG2 . 25973 1 182 . 1 1 16 16 GLU C C 13 172.785 0.000 . . . . . A 16 GLU C . 25973 1 183 . 1 1 16 16 GLU CA C 13 51.717 0.000 . . . . . A 16 GLU CA . 25973 1 184 . 1 1 16 16 GLU CB C 13 25.232 0.000 . . . . . A 16 GLU CB . 25973 1 185 . 1 1 16 16 GLU CG C 13 29.819 0.000 . . . . . A 16 GLU CG . 25973 1 186 . 1 1 16 16 GLU N N 15 122.156 0.031 . . . . . A 16 GLU N . 25973 1 187 . 1 1 17 17 VAL H H 1 8.631 0.002 . . . . . A 17 VAL H . 25973 1 188 . 1 1 17 17 VAL HA H 1 4.633 0.000 . . . . . A 17 VAL HA . 25973 1 189 . 1 1 17 17 VAL HB H 1 2.084 0.000 . . . . . A 17 VAL HB . 25973 1 190 . 1 1 17 17 VAL HG11 H 1 0.611 0.000 . . . . . A 17 VAL HG11 . 25973 1 191 . 1 1 17 17 VAL HG12 H 1 0.611 0.000 . . . . . A 17 VAL HG12 . 25973 1 192 . 1 1 17 17 VAL HG13 H 1 0.611 0.000 . . . . . A 17 VAL HG13 . 25973 1 193 . 1 1 17 17 VAL HG21 H 1 0.385 0.000 . . . . . A 17 VAL HG21 . 25973 1 194 . 1 1 17 17 VAL HG22 H 1 0.385 0.000 . . . . . A 17 VAL HG22 . 25973 1 195 . 1 1 17 17 VAL HG23 H 1 0.385 0.000 . . . . . A 17 VAL HG23 . 25973 1 196 . 1 1 17 17 VAL C C 13 171.495 0.000 . . . . . A 17 VAL C . 25973 1 197 . 1 1 17 17 VAL CA C 13 55.667 0.000 . . . . . A 17 VAL CA . 25973 1 198 . 1 1 17 17 VAL CB C 13 33.215 0.000 . . . . . A 17 VAL CB . 25973 1 199 . 1 1 17 17 VAL CG1 C 13 19.327 0.000 . . . . . A 17 VAL CG1 . 25973 1 200 . 1 1 17 17 VAL CG2 C 13 16.434 0.000 . . . . . A 17 VAL CG2 . 25973 1 201 . 1 1 17 17 VAL N N 15 115.706 0.066 . . . . . A 17 VAL N . 25973 1 202 . 1 1 18 18 GLU H H 1 7.705 0.090 . . . . . A 18 GLU H . 25973 1 203 . 1 1 18 18 GLU N N 15 117.702 0.124 . . . . . A 18 GLU N . 25973 1 204 . 1 1 19 19 PRO HA H 1 4.037 0.000 . . . . . A 19 PRO HA . 25973 1 205 . 1 1 19 19 PRO HB2 H 1 2.384 0.000 . . . . . A 19 PRO HB2 . 25973 1 206 . 1 1 19 19 PRO HB3 H 1 2.149 0.000 . . . . . A 19 PRO HB3 . 25973 1 207 . 1 1 19 19 PRO HG2 H 1 1.974 0.000 . . . . . A 19 PRO HG2 . 25973 1 208 . 1 1 19 19 PRO HD2 H 1 3.849 0.000 . . . . . A 19 PRO HD2 . 25973 1 209 . 1 1 19 19 PRO C C 13 172.411 0.000 . . . . . A 19 PRO C . 25973 1 210 . 1 1 19 19 PRO CA C 13 62.565 0.000 . . . . . A 19 PRO CA . 25973 1 211 . 1 1 19 19 PRO CB C 13 29.354 0.000 . . . . . A 19 PRO CB . 25973 1 212 . 1 1 19 19 PRO CG C 13 25.194 0.000 . . . . . A 19 PRO CG . 25973 1 213 . 1 1 19 19 PRO CD C 13 48.047 0.000 . . . . . A 19 PRO CD . 25973 1 214 . 1 1 20 20 SER H H 1 7.127 0.009 . . . . . A 20 SER H . 25973 1 215 . 1 1 20 20 SER HA H 1 4.270 0.000 . . . . . A 20 SER HA . 25973 1 216 . 1 1 20 20 SER HB2 H 1 3.387 0.000 . . . . . A 20 SER HB2 . 25973 1 217 . 1 1 20 20 SER C C 13 172.006 0.000 . . . . . A 20 SER C . 25973 1 218 . 1 1 20 20 SER CA C 13 54.697 0.000 . . . . . A 20 SER CA . 25973 1 219 . 1 1 20 20 SER CB C 13 60.491 0.000 . . . . . A 20 SER CB . 25973 1 220 . 1 1 20 20 SER N N 15 104.376 0.083 . . . . . A 20 SER N . 25973 1 221 . 1 1 21 21 ASP H H 1 7.890 0.002 . . . . . A 21 ASP H . 25973 1 222 . 1 1 21 21 ASP HA H 1 4.714 0.000 . . . . . A 21 ASP HA . 25973 1 223 . 1 1 21 21 ASP HB2 H 1 2.973 0.000 . . . . . A 21 ASP HB2 . 25973 1 224 . 1 1 21 21 ASP HB3 H 1 2.720 0.000 . . . . . A 21 ASP HB3 . 25973 1 225 . 1 1 21 21 ASP C C 13 172.786 0.000 . . . . . A 21 ASP C . 25973 1 226 . 1 1 21 21 ASP CA C 13 51.436 0.000 . . . . . A 21 ASP CA . 25973 1 227 . 1 1 21 21 ASP CB C 13 36.288 0.000 . . . . . A 21 ASP CB . 25973 1 228 . 1 1 21 21 ASP N N 15 121.646 0.150 . . . . . A 21 ASP N . 25973 1 229 . 1 1 22 22 THR H H 1 8.202 0.027 . . . . . A 22 THR H . 25973 1 230 . 1 1 22 22 THR HA H 1 4.833 0.000 . . . . . A 22 THR HA . 25973 1 231 . 1 1 22 22 THR HB H 1 4.649 0.000 . . . . . A 22 THR HB . 25973 1 232 . 1 1 22 22 THR HG21 H 1 1.181 0.000 . . . . . A 22 THR HG21 . 25973 1 233 . 1 1 22 22 THR HG22 H 1 1.181 0.000 . . . . . A 22 THR HG22 . 25973 1 234 . 1 1 22 22 THR HG23 H 1 1.181 0.000 . . . . . A 22 THR HG23 . 25973 1 235 . 1 1 22 22 THR C C 13 173.653 0.000 . . . . . A 22 THR C . 25973 1 236 . 1 1 22 22 THR CA C 13 57.439 0.000 . . . . . A 22 THR CA . 25973 1 237 . 1 1 22 22 THR CB C 13 68.925 0.000 . . . . . A 22 THR CB . 25973 1 238 . 1 1 22 22 THR CG2 C 13 19.258 0.000 . . . . . A 22 THR CG2 . 25973 1 239 . 1 1 22 22 THR N N 15 109.295 0.107 . . . . . A 22 THR N . 25973 1 240 . 1 1 23 23 ILE H H 1 8.450 0.002 . . . . . A 23 ILE H . 25973 1 241 . 1 1 23 23 ILE HA H 1 3.596 0.000 . . . . . A 23 ILE HA . 25973 1 242 . 1 1 23 23 ILE HB H 1 2.564 0.000 . . . . . A 23 ILE HB . 25973 1 243 . 1 1 23 23 ILE HG12 H 1 1.741 0.000 . . . . . A 23 ILE HG12 . 25973 1 244 . 1 1 23 23 ILE HG13 H 1 1.186 0.000 . . . . . A 23 ILE HG13 . 25973 1 245 . 1 1 23 23 ILE HG21 H 1 0.680 0.000 . . . . . A 23 ILE HG21 . 25973 1 246 . 1 1 23 23 ILE HG22 H 1 0.680 0.000 . . . . . A 23 ILE HG22 . 25973 1 247 . 1 1 23 23 ILE HG23 H 1 0.680 0.000 . . . . . A 23 ILE HG23 . 25973 1 248 . 1 1 23 23 ILE HD11 H 1 0.491 0.000 . . . . . A 23 ILE HD11 . 25973 1 249 . 1 1 23 23 ILE HD12 H 1 0.491 0.000 . . . . . A 23 ILE HD12 . 25973 1 250 . 1 1 23 23 ILE HD13 H 1 0.491 0.000 . . . . . A 23 ILE HD13 . 25973 1 251 . 1 1 23 23 ILE C C 13 176.250 0.000 . . . . . A 23 ILE C . 25973 1 252 . 1 1 23 23 ILE CA C 13 59.208 0.000 . . . . . A 23 ILE CA . 25973 1 253 . 1 1 23 23 ILE CB C 13 31.692 0.000 . . . . . A 23 ILE CB . 25973 1 254 . 1 1 23 23 ILE CG1 C 13 24.997 0.000 . . . . . A 23 ILE CG1 . 25973 1 255 . 1 1 23 23 ILE CG2 C 13 15.100 0.000 . . . . . A 23 ILE CG2 . 25973 1 256 . 1 1 23 23 ILE CD1 C 13 7.082 0.000 . . . . . A 23 ILE CD1 . 25973 1 257 . 1 1 23 23 ILE N N 15 121.424 0.035 . . . . . A 23 ILE N . 25973 1 258 . 1 1 24 24 GLU H H 1 8.802 0.014 . . . . . A 24 GLU H . 25973 1 259 . 1 1 24 24 GLU HA H 1 3.814 0.000 . . . . . A 24 GLU HA . 25973 1 260 . 1 1 24 24 GLU HB2 H 1 1.932 0.000 . . . . . A 24 GLU HB2 . 25973 1 261 . 1 1 24 24 GLU HG2 H 1 2.519 0.000 . . . . . A 24 GLU HG2 . 25973 1 262 . 1 1 24 24 GLU HG3 H 1 2.336 0.000 . . . . . A 24 GLU HG3 . 25973 1 263 . 1 1 24 24 GLU C C 13 175.008 0.000 . . . . . A 24 GLU C . 25973 1 264 . 1 1 24 24 GLU CA C 13 56.671 0.000 . . . . . A 24 GLU CA . 25973 1 265 . 1 1 24 24 GLU CB C 13 25.586 0.000 . . . . . A 24 GLU CB . 25973 1 266 . 1 1 24 24 GLU CG C 13 29.632 0.000 . . . . . A 24 GLU CG . 25973 1 267 . 1 1 24 24 GLU N N 15 120.359 0.051 . . . . . A 24 GLU N . 25973 1 268 . 1 1 25 25 ASN H H 1 7.928 0.011 . . . . . A 25 ASN H . 25973 1 269 . 1 1 25 25 ASN HA H 1 4.393 0.000 . . . . . A 25 ASN HA . 25973 1 270 . 1 1 25 25 ASN HB2 H 1 3.049 0.000 . . . . . A 25 ASN HB2 . 25973 1 271 . 1 1 25 25 ASN HB3 H 1 2.836 0.000 . . . . . A 25 ASN HB3 . 25973 1 272 . 1 1 25 25 ASN C C 13 175.438 0.000 . . . . . A 25 ASN C . 25973 1 273 . 1 1 25 25 ASN CA C 13 53.655 0.000 . . . . . A 25 ASN CA . 25973 1 274 . 1 1 25 25 ASN CB C 13 36.269 0.000 . . . . . A 25 ASN CB . 25973 1 275 . 1 1 25 25 ASN N N 15 119.035 0.044 . . . . . A 25 ASN N . 25973 1 276 . 1 1 26 26 ALA H H 1 7.949 0.004 . . . . . A 26 ALA H . 25973 1 277 . 1 1 26 26 ALA HA H 1 3.811 0.000 . . . . . A 26 ALA HA . 25973 1 278 . 1 1 26 26 ALA HB1 H 1 1.195 0.000 . . . . . A 26 ALA HB1 . 25973 1 279 . 1 1 26 26 ALA HB2 H 1 1.195 0.000 . . . . . A 26 ALA HB2 . 25973 1 280 . 1 1 26 26 ALA HB3 H 1 1.195 0.000 . . . . . A 26 ALA HB3 . 25973 1 281 . 1 1 26 26 ALA C C 13 176.256 0.000 . . . . . A 26 ALA C . 25973 1 282 . 1 1 26 26 ALA CA C 13 53.046 0.000 . . . . . A 26 ALA CA . 25973 1 283 . 1 1 26 26 ALA CB C 13 13.254 0.000 . . . . . A 26 ALA CB . 25973 1 284 . 1 1 26 26 ALA N N 15 122.272 0.046 . . . . . A 26 ALA N . 25973 1 285 . 1 1 27 27 LYS H H 1 8.469 0.002 . . . . . A 27 LYS H . 25973 1 286 . 1 1 27 27 LYS N N 15 117.069 0.018 . . . . . A 27 LYS N . 25973 1 287 . 1 1 28 28 ALA HA H 1 4.069 0.000 . . . . . A 28 ALA HA . 25973 1 288 . 1 1 28 28 ALA HB1 H 1 1.548 0.000 . . . . . A 28 ALA HB1 . 25973 1 289 . 1 1 28 28 ALA HB2 H 1 1.548 0.000 . . . . . A 28 ALA HB2 . 25973 1 290 . 1 1 28 28 ALA HB3 H 1 1.548 0.000 . . . . . A 28 ALA HB3 . 25973 1 291 . 1 1 28 28 ALA C C 13 177.699 0.000 . . . . . A 28 ALA C . 25973 1 292 . 1 1 28 28 ALA CA C 13 52.567 0.000 . . . . . A 28 ALA CA . 25973 1 293 . 1 1 28 28 ALA CB C 13 14.953 0.000 . . . . . A 28 ALA CB . 25973 1 294 . 1 1 29 29 LYS H H 1 7.726 0.002 . . . . . A 29 LYS H . 25973 1 295 . 1 1 29 29 LYS HA H 1 4.101 0.000 . . . . . A 29 LYS HA . 25973 1 296 . 1 1 29 29 LYS HB2 H 1 2.008 0.000 . . . . . A 29 LYS HB2 . 25973 1 297 . 1 1 29 29 LYS HG2 H 1 1.556 0.000 . . . . . A 29 LYS HG2 . 25973 1 298 . 1 1 29 29 LYS HD2 H 1 1.879 0.000 . . . . . A 29 LYS HD2 . 25973 1 299 . 1 1 29 29 LYS C C 13 177.487 0.000 . . . . . A 29 LYS C . 25973 1 300 . 1 1 29 29 LYS CA C 13 56.825 0.000 . . . . . A 29 LYS CA . 25973 1 301 . 1 1 29 29 LYS CB C 13 30.222 0.000 . . . . . A 29 LYS CB . 25973 1 302 . 1 1 29 29 LYS CG C 13 23.515 0.000 . . . . . A 29 LYS CG . 25973 1 303 . 1 1 29 29 LYS CD C 13 26.893 0.000 . . . . . A 29 LYS CD . 25973 1 304 . 1 1 29 29 LYS CE C 13 39.860 0.000 . . . . . A 29 LYS CE . 25973 1 305 . 1 1 29 29 LYS N N 15 119.644 0.033 . . . . . A 29 LYS N . 25973 1 306 . 1 1 30 30 ILE H H 1 8.206 0.002 . . . . . A 30 ILE H . 25973 1 307 . 1 1 30 30 ILE HA H 1 4.182 0.000 . . . . . A 30 ILE HA . 25973 1 308 . 1 1 30 30 ILE HB H 1 2.403 0.000 . . . . . A 30 ILE HB . 25973 1 309 . 1 1 30 30 ILE HG12 H 1 1.827 0.000 . . . . . A 30 ILE HG12 . 25973 1 310 . 1 1 30 30 ILE HG13 H 1 1.549 0.000 . . . . . A 30 ILE HG13 . 25973 1 311 . 1 1 30 30 ILE C C 13 175.724 0.000 . . . . . A 30 ILE C . 25973 1 312 . 1 1 30 30 ILE CA C 13 63.545 0.000 . . . . . A 30 ILE CA . 25973 1 313 . 1 1 30 30 ILE CB C 13 34.205 0.000 . . . . . A 30 ILE CB . 25973 1 314 . 1 1 30 30 ILE CG1 C 13 28.322 0.000 . . . . . A 30 ILE CG1 . 25973 1 315 . 1 1 30 30 ILE CG2 C 13 14.309 0.000 . . . . . A 30 ILE CG2 . 25973 1 316 . 1 1 30 30 ILE CD1 C 13 12.245 0.000 . . . . . A 30 ILE CD1 . 25973 1 317 . 1 1 30 30 ILE N N 15 121.905 0.017 . . . . . A 30 ILE N . 25973 1 318 . 1 1 31 31 GLN H H 1 8.597 0.013 . . . . . A 31 GLN H . 25973 1 319 . 1 1 31 31 GLN HA H 1 3.736 0.000 . . . . . A 31 GLN HA . 25973 1 320 . 1 1 31 31 GLN HB2 H 1 1.878 0.000 . . . . . A 31 GLN HB2 . 25973 1 321 . 1 1 31 31 GLN HB3 H 1 2.143 0.000 . . . . . A 31 GLN HB3 . 25973 1 322 . 1 1 31 31 GLN HG2 H 1 2.397 0.000 . . . . . A 31 GLN HG2 . 25973 1 323 . 1 1 31 31 GLN C C 13 176.118 0.000 . . . . . A 31 GLN C . 25973 1 324 . 1 1 31 31 GLN CA C 13 57.098 0.000 . . . . . A 31 GLN CA . 25973 1 325 . 1 1 31 31 GLN CB C 13 25.550 0.000 . . . . . A 31 GLN CB . 25973 1 326 . 1 1 31 31 GLN CG C 13 30.695 0.000 . . . . . A 31 GLN CG . 25973 1 327 . 1 1 31 31 GLN N N 15 123.624 0.045 . . . . . A 31 GLN N . 25973 1 328 . 1 1 32 32 ASP H H 1 7.994 0.002 . . . . . A 32 ASP H . 25973 1 329 . 1 1 32 32 ASP HA H 1 4.314 0.000 . . . . . A 32 ASP HA . 25973 1 330 . 1 1 32 32 ASP HB2 H 1 2.981 0.000 . . . . . A 32 ASP HB2 . 25973 1 331 . 1 1 32 32 ASP C C 13 173.568 0.000 . . . . . A 32 ASP C . 25973 1 332 . 1 1 32 32 ASP CA C 13 53.364 0.000 . . . . . A 32 ASP CA . 25973 1 333 . 1 1 32 32 ASP CB C 13 35.153 0.000 . . . . . A 32 ASP CB . 25973 1 334 . 1 1 32 32 ASP N N 15 118.441 0.031 . . . . . A 32 ASP N . 25973 1 335 . 1 1 33 33 LYS H H 1 7.383 0.004 . . . . . A 33 LYS H . 25973 1 336 . 1 1 33 33 LYS HA H 1 4.295 0.000 . . . . . A 33 LYS HA . 25973 1 337 . 1 1 33 33 LYS HB2 H 1 1.839 0.000 . . . . . A 33 LYS HB2 . 25973 1 338 . 1 1 33 33 LYS HG2 H 1 1.504 0.000 . . . . . A 33 LYS HG2 . 25973 1 339 . 1 1 33 33 LYS HD2 H 1 1.676 0.000 . . . . . A 33 LYS HD2 . 25973 1 340 . 1 1 33 33 LYS HE2 H 1 3.063 0.000 . . . . . A 33 LYS HE2 . 25973 1 341 . 1 1 33 33 LYS C C 13 174.935 0.000 . . . . . A 33 LYS C . 25973 1 342 . 1 1 33 33 LYS CA C 13 55.431 0.000 . . . . . A 33 LYS CA . 25973 1 343 . 1 1 33 33 LYS CB C 13 31.813 0.000 . . . . . A 33 LYS CB . 25973 1 344 . 1 1 33 33 LYS CG C 13 22.906 0.000 . . . . . A 33 LYS CG . 25973 1 345 . 1 1 33 33 LYS CD C 13 26.485 0.000 . . . . . A 33 LYS CD . 25973 1 346 . 1 1 33 33 LYS CE C 13 39.582 0.000 . . . . . A 33 LYS CE . 25973 1 347 . 1 1 33 33 LYS N N 15 115.568 0.014 . . . . . A 33 LYS N . 25973 1 348 . 1 1 34 34 GLU H H 1 8.697 0.001 . . . . . A 34 GLU H . 25973 1 349 . 1 1 34 34 GLU HA H 1 4.619 0.000 . . . . . A 34 GLU HA . 25973 1 350 . 1 1 34 34 GLU HB2 H 1 1.643 0.000 . . . . . A 34 GLU HB2 . 25973 1 351 . 1 1 34 34 GLU HG2 H 1 2.220 0.000 . . . . . A 34 GLU HG2 . 25973 1 352 . 1 1 34 34 GLU C C 13 174.551 0.000 . . . . . A 34 GLU C . 25973 1 353 . 1 1 34 34 GLU CA C 13 52.222 0.000 . . . . . A 34 GLU CA . 25973 1 354 . 1 1 34 34 GLU CB C 13 28.913 0.000 . . . . . A 34 GLU CB . 25973 1 355 . 1 1 34 34 GLU CG C 13 30.350 0.000 . . . . . A 34 GLU CG . 25973 1 356 . 1 1 34 34 GLU N N 15 113.069 0.037 . . . . . A 34 GLU N . 25973 1 357 . 1 1 35 35 GLY H H 1 8.564 0.002 . . . . . A 35 GLY H . 25973 1 358 . 1 1 35 35 GLY C C 13 170.888 0.000 . . . . . A 35 GLY C . 25973 1 359 . 1 1 35 35 GLY N N 15 108.734 0.030 . . . . . A 35 GLY N . 25973 1 360 . 1 1 36 36 ILE H H 1 6.763 0.001 . . . . . A 36 ILE H . 25973 1 361 . 1 1 36 36 ILE N N 15 116.747 0.001 . . . . . A 36 ILE N . 25973 1 362 . 1 1 38 38 PRO HA H 1 3.992 0.000 . . . . . A 38 PRO HA . 25973 1 363 . 1 1 38 38 PRO HB2 H 1 2.082 0.000 . . . . . A 38 PRO HB2 . 25973 1 364 . 1 1 38 38 PRO HG2 H 1 1.434 0.000 . . . . . A 38 PRO HG2 . 25973 1 365 . 1 1 38 38 PRO HD2 H 1 3.685 0.000 . . . . . A 38 PRO HD2 . 25973 1 366 . 1 1 38 38 PRO C C 13 175.657 0.000 . . . . . A 38 PRO C . 25973 1 367 . 1 1 38 38 PRO CA C 13 63.734 0.000 . . . . . A 38 PRO CA . 25973 1 368 . 1 1 38 38 PRO CB C 13 30.159 0.000 . . . . . A 38 PRO CB . 25973 1 369 . 1 1 38 38 PRO CG C 13 24.623 0.000 . . . . . A 38 PRO CG . 25973 1 370 . 1 1 38 38 PRO CD C 13 48.356 0.000 . . . . . A 38 PRO CD . 25973 1 371 . 1 1 39 39 ASP H H 1 8.758 0.009 . . . . . A 39 ASP H . 25973 1 372 . 1 1 39 39 ASP HA H 1 4.405 0.000 . . . . . A 39 ASP HA . 25973 1 373 . 1 1 39 39 ASP HB2 H 1 3.021 0.000 . . . . . A 39 ASP HB2 . 25973 1 374 . 1 1 39 39 ASP HB3 H 1 2.869 0.000 . . . . . A 39 ASP HB3 . 25973 1 375 . 1 1 39 39 ASP C C 13 173.637 0.000 . . . . . A 39 ASP C . 25973 1 376 . 1 1 39 39 ASP CA C 13 51.963 0.000 . . . . . A 39 ASP CA . 25973 1 377 . 1 1 39 39 ASP CB C 13 34.299 0.000 . . . . . A 39 ASP CB . 25973 1 378 . 1 1 39 39 ASP N N 15 113.150 0.041 . . . . . A 39 ASP N . 25973 1 379 . 1 1 40 40 GLN H H 1 7.949 0.007 . . . . . A 40 GLN H . 25973 1 380 . 1 1 40 40 GLN HA H 1 4.401 0.000 . . . . . A 40 GLN HA . 25973 1 381 . 1 1 40 40 GLN HB2 H 1 1.765 0.000 . . . . . A 40 GLN HB2 . 25973 1 382 . 1 1 40 40 GLN HG2 H 1 2.327 0.000 . . . . . A 40 GLN HG2 . 25973 1 383 . 1 1 40 40 GLN C C 13 172.173 0.000 . . . . . A 40 GLN C . 25973 1 384 . 1 1 40 40 GLN CA C 13 52.926 0.000 . . . . . A 40 GLN CA . 25973 1 385 . 1 1 40 40 GLN CB C 13 27.423 0.000 . . . . . A 40 GLN CB . 25973 1 386 . 1 1 40 40 GLN CG C 13 31.791 0.000 . . . . . A 40 GLN CG . 25973 1 387 . 1 1 40 40 GLN N N 15 118.365 0.069 . . . . . A 40 GLN N . 25973 1 388 . 1 1 41 41 GLN H H 1 7.490 0.002 . . . . . A 41 GLN H . 25973 1 389 . 1 1 41 41 GLN C C 13 172.785 0.000 . . . . . A 41 GLN C . 25973 1 390 . 1 1 41 41 GLN N N 15 117.813 0.028 . . . . . A 41 GLN N . 25973 1 391 . 1 1 42 42 ARG H H 1 8.631 0.000 . . . . . A 42 ARG H . 25973 1 392 . 1 1 42 42 ARG HA H 1 4.427 0.000 . . . . . A 42 ARG HA . 25973 1 393 . 1 1 42 42 ARG HB2 H 1 1.633 0.000 . . . . . A 42 ARG HB2 . 25973 1 394 . 1 1 42 42 ARG HG2 H 1 1.389 0.000 . . . . . A 42 ARG HG2 . 25973 1 395 . 1 1 42 42 ARG HD2 H 1 2.980 0.000 . . . . . A 42 ARG HD2 . 25973 1 396 . 1 1 42 42 ARG C C 13 171.412 0.000 . . . . . A 42 ARG C . 25973 1 397 . 1 1 42 42 ARG CA C 13 52.312 0.000 . . . . . A 42 ARG CA . 25973 1 398 . 1 1 42 42 ARG CB C 13 28.635 0.000 . . . . . A 42 ARG CB . 25973 1 399 . 1 1 42 42 ARG CG C 13 24.256 0.000 . . . . . A 42 ARG CG . 25973 1 400 . 1 1 42 42 ARG CD C 13 41.036 0.000 . . . . . A 42 ARG CD . 25973 1 401 . 1 1 42 42 ARG N N 15 115.761 0.000 . . . . . A 42 ARG N . 25973 1 402 . 1 1 43 43 LEU H H 1 8.673 0.002 . . . . . A 43 LEU H . 25973 1 403 . 1 1 43 43 LEU HA H 1 5.294 0.000 . . . . . A 43 LEU HA . 25973 1 404 . 1 1 43 43 LEU HB2 H 1 1.416 0.000 . . . . . A 43 LEU HB2 . 25973 1 405 . 1 1 43 43 LEU HG H 1 1.083 0.000 . . . . . A 43 LEU HG . 25973 1 406 . 1 1 43 43 LEU HD21 H 1 0.675 0.000 . . . . . A 43 LEU HD21 . 25973 1 407 . 1 1 43 43 LEU HD22 H 1 0.675 0.000 . . . . . A 43 LEU HD22 . 25973 1 408 . 1 1 43 43 LEU HD23 H 1 0.675 0.000 . . . . . A 43 LEU HD23 . 25973 1 409 . 1 1 43 43 LEU C C 13 172.374 0.000 . . . . . A 43 LEU C . 25973 1 410 . 1 1 43 43 LEU CA C 13 50.854 0.000 . . . . . A 43 LEU CA . 25973 1 411 . 1 1 43 43 LEU CB C 13 43.114 0.000 . . . . . A 43 LEU CB . 25973 1 412 . 1 1 43 43 LEU CG C 13 24.414 0.000 . . . . . A 43 LEU CG . 25973 1 413 . 1 1 43 43 LEU CD1 C 13 23.044 0.000 . . . . . A 43 LEU CD1 . 25973 1 414 . 1 1 43 43 LEU CD2 C 13 21.451 0.000 . . . . . A 43 LEU CD2 . 25973 1 415 . 1 1 43 43 LEU N N 15 124.185 0.050 . . . . . A 43 LEU N . 25973 1 416 . 1 1 44 44 ILE H H 1 8.970 0.003 . . . . . A 44 ILE H . 25973 1 417 . 1 1 44 44 ILE HA H 1 4.919 0.000 . . . . . A 44 ILE HA . 25973 1 418 . 1 1 44 44 ILE HB H 1 2.144 0.000 . . . . . A 44 ILE HB . 25973 1 419 . 1 1 44 44 ILE HG12 H 1 1.568 0.000 . . . . . A 44 ILE HG12 . 25973 1 420 . 1 1 44 44 ILE HG13 H 1 1.243 0.000 . . . . . A 44 ILE HG13 . 25973 1 421 . 1 1 44 44 ILE HG21 H 1 0.963 0.000 . . . . . A 44 ILE HG21 . 25973 1 422 . 1 1 44 44 ILE HG22 H 1 0.963 0.000 . . . . . A 44 ILE HG22 . 25973 1 423 . 1 1 44 44 ILE HG23 H 1 0.963 0.000 . . . . . A 44 ILE HG23 . 25973 1 424 . 1 1 44 44 ILE HD11 H 1 0.611 0.000 . . . . . A 44 ILE HD11 . 25973 1 425 . 1 1 44 44 ILE HD12 H 1 0.611 0.000 . . . . . A 44 ILE HD12 . 25973 1 426 . 1 1 44 44 ILE HD13 H 1 0.611 0.000 . . . . . A 44 ILE HD13 . 25973 1 427 . 1 1 44 44 ILE C C 13 173.248 0.000 . . . . . A 44 ILE C . 25973 1 428 . 1 1 44 44 ILE CA C 13 56.427 0.000 . . . . . A 44 ILE CA . 25973 1 429 . 1 1 44 44 ILE CB C 13 39.130 0.000 . . . . . A 44 ILE CB . 25973 1 430 . 1 1 44 44 ILE CG1 C 13 25.267 0.000 . . . . . A 44 ILE CG1 . 25973 1 431 . 1 1 44 44 ILE CG2 C 13 14.803 0.000 . . . . . A 44 ILE CG2 . 25973 1 432 . 1 1 44 44 ILE CD1 C 13 10.425 0.000 . . . . . A 44 ILE CD1 . 25973 1 433 . 1 1 44 44 ILE N N 15 122.386 0.027 . . . . . A 44 ILE N . 25973 1 434 . 1 1 45 45 PHE H H 1 8.658 0.002 . . . . . A 45 PHE H . 25973 1 435 . 1 1 45 45 PHE HA H 1 4.955 0.000 . . . . . A 45 PHE HA . 25973 1 436 . 1 1 45 45 PHE HB2 H 1 2.988 0.000 . . . . . A 45 PHE HB2 . 25973 1 437 . 1 1 45 45 PHE HB3 H 1 2.714 0.000 . . . . . A 45 PHE HB3 . 25973 1 438 . 1 1 45 45 PHE C C 13 171.645 0.000 . . . . . A 45 PHE C . 25973 1 439 . 1 1 45 45 PHE CA C 13 54.395 0.000 . . . . . A 45 PHE CA . 25973 1 440 . 1 1 45 45 PHE CB C 13 41.282 0.000 . . . . . A 45 PHE CB . 25973 1 441 . 1 1 45 45 PHE N N 15 125.287 0.051 . . . . . A 45 PHE N . 25973 1 442 . 1 1 46 46 ALA H H 1 8.687 0.000 . . . . . A 46 ALA H . 25973 1 443 . 1 1 46 46 ALA HA H 1 3.626 0.000 . . . . . A 46 ALA HA . 25973 1 444 . 1 1 46 46 ALA HB1 H 1 0.852 0.000 . . . . . A 46 ALA HB1 . 25973 1 445 . 1 1 46 46 ALA HB2 H 1 0.852 0.000 . . . . . A 46 ALA HB2 . 25973 1 446 . 1 1 46 46 ALA HB3 H 1 0.852 0.000 . . . . . A 46 ALA HB3 . 25973 1 447 . 1 1 46 46 ALA C C 13 174.527 0.000 . . . . . A 46 ALA C . 25973 1 448 . 1 1 46 46 ALA CA C 13 49.877 0.000 . . . . . A 46 ALA CA . 25973 1 449 . 1 1 46 46 ALA CB C 13 13.867 0.000 . . . . . A 46 ALA CB . 25973 1 450 . 1 1 46 46 ALA N N 15 100.596 0.006 . . . . . A 46 ALA N . 25973 1 451 . 1 1 47 47 GLY H H 1 8.193 0.001 . . . . . A 47 GLY H . 25973 1 452 . 1 1 47 47 GLY HA2 H 1 4.003 0.000 . . . . . A 47 GLY HA2 . 25973 1 453 . 1 1 47 47 GLY HA3 H 1 3.791 0.000 . . . . . A 47 GLY HA3 . 25973 1 454 . 1 1 47 47 GLY C C 13 171.138 0.000 . . . . . A 47 GLY C . 25973 1 455 . 1 1 47 47 GLY CA C 13 42.658 0.000 . . . . . A 47 GLY CA . 25973 1 456 . 1 1 47 47 GLY N N 15 102.825 0.050 . . . . . A 47 GLY N . 25973 1 457 . 1 1 48 48 LYS H H 1 7.888 0.004 . . . . . A 48 LYS H . 25973 1 458 . 1 1 48 48 LYS HA H 1 4.542 0.000 . . . . . A 48 LYS HA . 25973 1 459 . 1 1 48 48 LYS HB2 H 1 1.792 0.000 . . . . . A 48 LYS HB2 . 25973 1 460 . 1 1 48 48 LYS HG2 H 1 1.441 0.000 . . . . . A 48 LYS HG2 . 25973 1 461 . 1 1 48 48 LYS HD2 H 1 1.792 0.000 . . . . . A 48 LYS HD2 . 25973 1 462 . 1 1 48 48 LYS HE2 H 1 3.081 0.000 . . . . . A 48 LYS HE2 . 25973 1 463 . 1 1 48 48 LYS C C 13 171.954 0.000 . . . . . A 48 LYS C . 25973 1 464 . 1 1 48 48 LYS CA C 13 51.653 0.000 . . . . . A 48 LYS CA . 25973 1 465 . 1 1 48 48 LYS CB C 13 31.761 0.000 . . . . . A 48 LYS CB . 25973 1 466 . 1 1 48 48 LYS CG C 13 21.811 0.000 . . . . . A 48 LYS CG . 25973 1 467 . 1 1 48 48 LYS CD C 13 26.454 0.000 . . . . . A 48 LYS CD . 25973 1 468 . 1 1 48 48 LYS CE C 13 39.656 0.000 . . . . . A 48 LYS CE . 25973 1 469 . 1 1 48 48 LYS N N 15 121.451 0.021 . . . . . A 48 LYS N . 25973 1 470 . 1 1 49 49 GLN H H 1 8.521 0.003 . . . . . A 49 GLN H . 25973 1 471 . 1 1 49 49 GLN HA H 1 4.418 0.000 . . . . . A 49 GLN HA . 25973 1 472 . 1 1 49 49 GLN HB2 H 1 1.905 0.000 . . . . . A 49 GLN HB2 . 25973 1 473 . 1 1 49 49 GLN HG2 H 1 2.178 0.000 . . . . . A 49 GLN HG2 . 25973 1 474 . 1 1 49 49 GLN C C 13 173.073 0.000 . . . . . A 49 GLN C . 25973 1 475 . 1 1 49 49 GLN CA C 13 52.999 0.000 . . . . . A 49 GLN CA . 25973 1 476 . 1 1 49 49 GLN CB C 13 26.041 0.000 . . . . . A 49 GLN CB . 25973 1 477 . 1 1 49 49 GLN CG C 13 31.815 0.000 . . . . . A 49 GLN CG . 25973 1 478 . 1 1 49 49 GLN N N 15 121.884 0.036 . . . . . A 49 GLN N . 25973 1 479 . 1 1 50 50 LEU H H 1 8.427 0.002 . . . . . A 50 LEU H . 25973 1 480 . 1 1 50 50 LEU HA H 1 3.946 0.000 . . . . . A 50 LEU HA . 25973 1 481 . 1 1 50 50 LEU HB2 H 1 1.387 0.000 . . . . . A 50 LEU HB2 . 25973 1 482 . 1 1 50 50 LEU HG H 1 0.896 0.000 . . . . . A 50 LEU HG . 25973 1 483 . 1 1 50 50 LEU HD11 H 1 0.432 0.000 . . . . . A 50 LEU HD11 . 25973 1 484 . 1 1 50 50 LEU HD12 H 1 0.432 0.000 . . . . . A 50 LEU HD12 . 25973 1 485 . 1 1 50 50 LEU HD13 H 1 0.432 0.000 . . . . . A 50 LEU HD13 . 25973 1 486 . 1 1 50 50 LEU C C 13 173.823 0.000 . . . . . A 50 LEU C . 25973 1 487 . 1 1 50 50 LEU CA C 13 51.582 0.000 . . . . . A 50 LEU CA . 25973 1 488 . 1 1 50 50 LEU CB C 13 38.906 0.000 . . . . . A 50 LEU CB . 25973 1 489 . 1 1 50 50 LEU CG C 13 23.207 0.000 . . . . . A 50 LEU CG . 25973 1 490 . 1 1 50 50 LEU CD1 C 13 16.916 0.000 . . . . . A 50 LEU CD1 . 25973 1 491 . 1 1 50 50 LEU N N 15 125.208 0.044 . . . . . A 50 LEU N . 25973 1 492 . 1 1 51 51 GLU H H 1 8.333 0.002 . . . . . A 51 GLU H . 25973 1 493 . 1 1 51 51 GLU HA H 1 4.424 0.000 . . . . . A 51 GLU HA . 25973 1 494 . 1 1 51 51 GLU HB2 H 1 1.987 0.000 . . . . . A 51 GLU HB2 . 25973 1 495 . 1 1 51 51 GLU HG2 H 1 2.570 0.000 . . . . . A 51 GLU HG2 . 25973 1 496 . 1 1 51 51 GLU HG3 H 1 2.235 0.000 . . . . . A 51 GLU HG3 . 25973 1 497 . 1 1 51 51 GLU C C 13 173.730 0.000 . . . . . A 51 GLU C . 25973 1 498 . 1 1 51 51 GLU CA C 13 52.821 0.000 . . . . . A 51 GLU CA . 25973 1 499 . 1 1 51 51 GLU CB C 13 27.076 0.000 . . . . . A 51 GLU CB . 25973 1 500 . 1 1 51 51 GLU CG C 13 30.468 0.000 . . . . . A 51 GLU CG . 25973 1 501 . 1 1 51 51 GLU N N 15 122.400 0.031 . . . . . A 51 GLU N . 25973 1 502 . 1 1 52 52 ASP H H 1 8.490 0.021 . . . . . A 52 ASP H . 25973 1 503 . 1 1 52 52 ASP HA H 1 4.259 0.000 . . . . . A 52 ASP HA . 25973 1 504 . 1 1 52 52 ASP HB2 H 1 2.842 0.000 . . . . . A 52 ASP HB2 . 25973 1 505 . 1 1 52 52 ASP C C 13 173.507 0.000 . . . . . A 52 ASP C . 25973 1 506 . 1 1 52 52 ASP CA C 13 53.536 0.000 . . . . . A 52 ASP CA . 25973 1 507 . 1 1 52 52 ASP CB C 13 36.441 0.000 . . . . . A 52 ASP CB . 25973 1 508 . 1 1 52 52 ASP N N 15 119.615 0.062 . . . . . A 52 ASP N . 25973 1 509 . 1 1 53 53 GLY H H 1 8.622 0.008 . . . . . A 53 GLY H . 25973 1 510 . 1 1 53 53 GLY HA2 H 1 4.189 0.000 . . . . . A 53 GLY HA2 . 25973 1 511 . 1 1 53 53 GLY HA3 H 1 3.768 0.000 . . . . . A 53 GLY HA3 . 25973 1 512 . 1 1 53 53 GLY C C 13 172.296 0.000 . . . . . A 53 GLY C . 25973 1 513 . 1 1 53 53 GLY CA C 13 42.633 0.000 . . . . . A 53 GLY CA . 25973 1 514 . 1 1 53 53 GLY N N 15 104.158 0.031 . . . . . A 53 GLY N . 25973 1 515 . 1 1 54 54 ARG H H 1 7.397 0.003 . . . . . A 54 ARG H . 25973 1 516 . 1 1 54 54 ARG HA H 1 4.468 0.000 . . . . . A 54 ARG HA . 25973 1 517 . 1 1 54 54 ARG HB2 H 1 2.135 0.000 . . . . . A 54 ARG HB2 . 25973 1 518 . 1 1 54 54 ARG HB3 H 1 1.852 0.000 . . . . . A 54 ARG HB3 . 25973 1 519 . 1 1 54 54 ARG HG2 H 1 1.576 0.000 . . . . . A 54 ARG HG2 . 25973 1 520 . 1 1 54 54 ARG HD2 H 1 3.052 0.000 . . . . . A 54 ARG HD2 . 25973 1 521 . 1 1 54 54 ARG C C 13 172.237 0.000 . . . . . A 54 ARG C . 25973 1 522 . 1 1 54 54 ARG CA C 13 51.747 0.000 . . . . . A 54 ARG CA . 25973 1 523 . 1 1 54 54 ARG CB C 13 29.572 0.000 . . . . . A 54 ARG CB . 25973 1 524 . 1 1 54 54 ARG CG C 13 24.991 0.000 . . . . . A 54 ARG CG . 25973 1 525 . 1 1 54 54 ARG CD C 13 39.992 0.000 . . . . . A 54 ARG CD . 25973 1 526 . 1 1 54 54 ARG N N 15 119.010 0.031 . . . . . A 54 ARG N . 25973 1 527 . 1 1 55 55 THR H H 1 7.536 0.025 . . . . . A 55 THR H . 25973 1 528 . 1 1 55 55 THR HA H 1 4.545 0.000 . . . . . A 55 THR HA . 25973 1 529 . 1 1 55 55 THR HB H 1 5.023 0.000 . . . . . A 55 THR HB . 25973 1 530 . 1 1 55 55 THR HG21 H 1 1.045 0.000 . . . . . A 55 THR HG21 . 25973 1 531 . 1 1 55 55 THR HG22 H 1 1.045 0.000 . . . . . A 55 THR HG22 . 25973 1 532 . 1 1 55 55 THR HG23 H 1 1.045 0.000 . . . . . A 55 THR HG23 . 25973 1 533 . 1 1 55 55 THR C C 13 173.492 0.000 . . . . . A 55 THR C . 25973 1 534 . 1 1 55 55 THR CA C 13 57.122 0.000 . . . . . A 55 THR CA . 25973 1 535 . 1 1 55 55 THR CB C 13 69.087 0.000 . . . . . A 55 THR CB . 25973 1 536 . 1 1 55 55 THR CG2 C 13 19.564 0.000 . . . . . A 55 THR CG2 . 25973 1 537 . 1 1 55 55 THR N N 15 106.762 0.041 . . . . . A 55 THR N . 25973 1 538 . 1 1 56 56 LEU H H 1 8.258 0.002 . . . . . A 56 LEU H . 25973 1 539 . 1 1 56 56 LEU HA H 1 3.962 0.000 . . . . . A 56 LEU HA . 25973 1 540 . 1 1 56 56 LEU HB2 H 1 1.953 0.000 . . . . . A 56 LEU HB2 . 25973 1 541 . 1 1 56 56 LEU HB3 H 1 1.611 0.000 . . . . . A 56 LEU HB3 . 25973 1 542 . 1 1 56 56 LEU HG H 1 1.166 0.000 . . . . . A 56 LEU HG . 25973 1 543 . 1 1 56 56 LEU HD11 H 1 0.681 0.000 . . . . . A 56 LEU HD11 . 25973 1 544 . 1 1 56 56 LEU HD12 H 1 0.681 0.000 . . . . . A 56 LEU HD12 . 25973 1 545 . 1 1 56 56 LEU HD13 H 1 0.681 0.000 . . . . . A 56 LEU HD13 . 25973 1 546 . 1 1 56 56 LEU HD21 H 1 0.486 0.000 . . . . . A 56 LEU HD21 . 25973 1 547 . 1 1 56 56 LEU HD22 H 1 0.486 0.000 . . . . . A 56 LEU HD22 . 25973 1 548 . 1 1 56 56 LEU HD23 H 1 0.486 0.000 . . . . . A 56 LEU HD23 . 25973 1 549 . 1 1 56 56 LEU C C 13 178.169 0.000 . . . . . A 56 LEU C . 25973 1 550 . 1 1 56 56 LEU CA C 13 56.276 0.000 . . . . . A 56 LEU CA . 25973 1 551 . 1 1 56 56 LEU CB C 13 37.245 0.000 . . . . . A 56 LEU CB . 25973 1 552 . 1 1 56 56 LEU CG C 13 25.024 0.000 . . . . . A 56 LEU CG . 25973 1 553 . 1 1 56 56 LEU CD1 C 13 24.020 0.000 . . . . . A 56 LEU CD1 . 25973 1 554 . 1 1 56 56 LEU CD2 C 13 20.988 0.000 . . . . . A 56 LEU CD2 . 25973 1 555 . 1 1 56 56 LEU N N 15 119.096 0.046 . . . . . A 56 LEU N . 25973 1 556 . 1 1 57 57 SER H H 1 8.484 0.006 . . . . . A 57 SER H . 25973 1 557 . 1 1 57 57 SER HA H 1 4.180 0.000 . . . . . A 57 SER HA . 25973 1 558 . 1 1 57 57 SER HB2 H 1 3.734 0.000 . . . . . A 57 SER HB2 . 25973 1 559 . 1 1 57 57 SER HB3 H 1 3.690 0.000 . . . . . A 57 SER HB3 . 25973 1 560 . 1 1 57 57 SER C C 13 175.491 0.000 . . . . . A 57 SER C . 25973 1 561 . 1 1 57 57 SER CA C 13 57.967 0.000 . . . . . A 57 SER CA . 25973 1 562 . 1 1 57 57 SER CB C 13 59.730 0.000 . . . . . A 57 SER CB . 25973 1 563 . 1 1 57 57 SER N N 15 113.389 0.046 . . . . . A 57 SER N . 25973 1 564 . 1 1 58 58 ASP H H 1 7.893 0.003 . . . . . A 58 ASP H . 25973 1 565 . 1 1 58 58 ASP HA H 1 4.274 0.000 . . . . . A 58 ASP HA . 25973 1 566 . 1 1 58 58 ASP HB2 H 1 3.095 0.000 . . . . . A 58 ASP HB2 . 25973 1 567 . 1 1 58 58 ASP HB3 H 1 2.451 0.000 . . . . . A 58 ASP HB3 . 25973 1 568 . 1 1 58 58 ASP C C 13 173.529 0.000 . . . . . A 58 ASP C . 25973 1 569 . 1 1 58 58 ASP CA C 13 52.819 0.000 . . . . . A 58 ASP CA . 25973 1 570 . 1 1 58 58 ASP CB C 13 34.660 0.000 . . . . . A 58 ASP CB . 25973 1 571 . 1 1 58 58 ASP N N 15 122.795 0.048 . . . . . A 58 ASP N . 25973 1 572 . 1 1 59 59 TYR H H 1 7.243 0.002 . . . . . A 59 TYR H . 25973 1 573 . 1 1 59 59 TYR HA H 1 4.623 0.000 . . . . . A 59 TYR HA . 25973 1 574 . 1 1 59 59 TYR HB2 H 1 3.436 0.000 . . . . . A 59 TYR HB2 . 25973 1 575 . 1 1 59 59 TYR HB3 H 1 2.443 0.000 . . . . . A 59 TYR HB3 . 25973 1 576 . 1 1 59 59 TYR C C 13 171.756 0.000 . . . . . A 59 TYR C . 25973 1 577 . 1 1 59 59 TYR CA C 13 55.546 0.000 . . . . . A 59 TYR CA . 25973 1 578 . 1 1 59 59 TYR CB C 13 37.146 0.000 . . . . . A 59 TYR CB . 25973 1 579 . 1 1 59 59 TYR N N 15 116.135 0.013 . . . . . A 59 TYR N . 25973 1 580 . 1 1 60 60 ASN H H 1 8.108 0.001 . . . . . A 60 ASN H . 25973 1 581 . 1 1 60 60 ASN HA H 1 4.281 0.000 . . . . . A 60 ASN HA . 25973 1 582 . 1 1 60 60 ASN HB2 H 1 3.222 0.000 . . . . . A 60 ASN HB2 . 25973 1 583 . 1 1 60 60 ASN HB3 H 1 2.748 0.000 . . . . . A 60 ASN HB3 . 25973 1 584 . 1 1 60 60 ASN C C 13 171.419 0.000 . . . . . A 60 ASN C . 25973 1 585 . 1 1 60 60 ASN CA C 13 51.470 0.000 . . . . . A 60 ASN CA . 25973 1 586 . 1 1 60 60 ASN CB C 13 34.647 0.000 . . . . . A 60 ASN CB . 25973 1 587 . 1 1 60 60 ASN N N 15 115.660 0.020 . . . . . A 60 ASN N . 25973 1 588 . 1 1 61 61 ILE H H 1 7.031 0.002 . . . . . A 61 ILE H . 25973 1 589 . 1 1 61 61 ILE HA H 1 3.259 0.000 . . . . . A 61 ILE HA . 25973 1 590 . 1 1 61 61 ILE HB H 1 1.253 0.000 . . . . . A 61 ILE HB . 25973 1 591 . 1 1 61 61 ILE HG12 H 1 1.042 0.000 . . . . . A 61 ILE HG12 . 25973 1 592 . 1 1 61 61 ILE HG13 H 1 0.381 0.000 . . . . . A 61 ILE HG13 . 25973 1 593 . 1 1 61 61 ILE HG21 H 1 0.185 0.000 . . . . . A 61 ILE HG21 . 25973 1 594 . 1 1 61 61 ILE HG22 H 1 0.185 0.000 . . . . . A 61 ILE HG22 . 25973 1 595 . 1 1 61 61 ILE HG23 H 1 0.185 0.000 . . . . . A 61 ILE HG23 . 25973 1 596 . 1 1 61 61 ILE HD11 H 1 -0.437 0.000 . . . . . A 61 ILE HD11 . 25973 1 597 . 1 1 61 61 ILE HD12 H 1 -0.437 0.000 . . . . . A 61 ILE HD12 . 25973 1 598 . 1 1 61 61 ILE HD13 H 1 -0.437 0.000 . . . . . A 61 ILE HD13 . 25973 1 599 . 1 1 61 61 ILE C C 13 171.673 0.000 . . . . . A 61 ILE C . 25973 1 600 . 1 1 61 61 ILE CA C 13 59.737 0.000 . . . . . A 61 ILE CA . 25973 1 601 . 1 1 61 61 ILE CB C 13 34.117 0.000 . . . . . A 61 ILE CB . 25973 1 602 . 1 1 61 61 ILE CG1 C 13 25.539 0.000 . . . . . A 61 ILE CG1 . 25973 1 603 . 1 1 61 61 ILE CG2 C 13 14.782 0.000 . . . . . A 61 ILE CG2 . 25973 1 604 . 1 1 61 61 ILE CD1 C 13 11.642 0.000 . . . . . A 61 ILE CD1 . 25973 1 605 . 1 1 61 61 ILE N N 15 118.591 0.034 . . . . . A 61 ILE N . 25973 1 606 . 1 1 62 62 GLN H H 1 7.645 0.003 . . . . . A 62 GLN H . 25973 1 607 . 1 1 62 62 GLN HA H 1 4.468 0.000 . . . . . A 62 GLN HA . 25973 1 608 . 1 1 62 62 GLN HB2 H 1 1.806 0.000 . . . . . A 62 GLN HB2 . 25973 1 609 . 1 1 62 62 GLN HG2 H 1 2.233 0.000 . . . . . A 62 GLN HG2 . 25973 1 610 . 1 1 62 62 GLN C C 13 172.907 0.000 . . . . . A 62 GLN C . 25973 1 611 . 1 1 62 62 GLN CA C 13 50.947 0.000 . . . . . A 62 GLN CA . 25973 1 612 . 1 1 62 62 GLN CB C 13 29.300 0.000 . . . . . A 62 GLN CB . 25973 1 613 . 1 1 62 62 GLN CG C 13 30.623 0.000 . . . . . A 62 GLN CG . 25973 1 614 . 1 1 62 62 GLN N N 15 125.176 0.058 . . . . . A 62 GLN N . 25973 1 615 . 1 1 63 63 LYS H H 1 8.416 0.002 . . . . . A 63 LYS H . 25973 1 616 . 1 1 63 63 LYS HA H 1 3.910 0.000 . . . . . A 63 LYS HA . 25973 1 617 . 1 1 63 63 LYS HB2 H 1 1.979 0.000 . . . . . A 63 LYS HB2 . 25973 1 618 . 1 1 63 63 LYS HG2 H 1 1.439 0.000 . . . . . A 63 LYS HG2 . 25973 1 619 . 1 1 63 63 LYS HD2 H 1 1.794 0.000 . . . . . A 63 LYS HD2 . 25973 1 620 . 1 1 63 63 LYS HE2 H 1 2.980 0.000 . . . . . A 63 LYS HE2 . 25973 1 621 . 1 1 63 63 LYS C C 13 173.589 0.000 . . . . . A 63 LYS C . 25973 1 622 . 1 1 63 63 LYS CA C 13 55.292 0.000 . . . . . A 63 LYS CA . 25973 1 623 . 1 1 63 63 LYS CB C 13 29.920 0.000 . . . . . A 63 LYS CB . 25973 1 624 . 1 1 63 63 LYS CG C 13 21.445 0.000 . . . . . A 63 LYS CG . 25973 1 625 . 1 1 63 63 LYS CD C 13 27.162 0.000 . . . . . A 63 LYS CD . 25973 1 626 . 1 1 63 63 LYS CE C 13 39.473 0.000 . . . . . A 63 LYS CE . 25973 1 627 . 1 1 63 63 LYS N N 15 120.040 0.033 . . . . . A 63 LYS N . 25973 1 628 . 1 1 64 64 GLU H H 1 9.180 0.001 . . . . . A 64 GLU H . 25973 1 629 . 1 1 64 64 GLU HA H 1 3.516 0.000 . . . . . A 64 GLU HA . 25973 1 630 . 1 1 64 64 GLU HB2 H 1 2.206 0.000 . . . . . A 64 GLU HB2 . 25973 1 631 . 1 1 64 64 GLU HG2 H 1 2.489 0.000 . . . . . A 64 GLU HG2 . 25973 1 632 . 1 1 64 64 GLU C C 13 172.267 0.000 . . . . . A 64 GLU C . 25973 1 633 . 1 1 64 64 GLU CA C 13 54.715 0.000 . . . . . A 64 GLU CA . 25973 1 634 . 1 1 64 64 GLU CB C 13 22.801 0.000 . . . . . A 64 GLU CB . 25973 1 635 . 1 1 64 64 GLU CG C 13 31.160 0.000 . . . . . A 64 GLU CG . 25973 1 636 . 1 1 64 64 GLU N N 15 113.699 0.039 . . . . . A 64 GLU N . 25973 1 637 . 1 1 65 65 SER H H 1 7.818 0.002 . . . . . A 65 SER H . 25973 1 638 . 1 1 65 65 SER HA H 1 4.531 0.000 . . . . . A 65 SER HA . 25973 1 639 . 1 1 65 65 SER HB2 H 1 3.821 0.000 . . . . . A 65 SER HB2 . 25973 1 640 . 1 1 65 65 SER HB3 H 1 3.611 0.000 . . . . . A 65 SER HB3 . 25973 1 641 . 1 1 65 65 SER C C 13 169.375 0.000 . . . . . A 65 SER C . 25973 1 642 . 1 1 65 65 SER CA C 13 58.422 0.000 . . . . . A 65 SER CA . 25973 1 643 . 1 1 65 65 SER CB C 13 62.153 0.000 . . . . . A 65 SER CB . 25973 1 644 . 1 1 65 65 SER N N 15 115.564 0.022 . . . . . A 65 SER N . 25973 1 645 . 1 1 66 66 THR H H 1 8.704 0.002 . . . . . A 66 THR H . 25973 1 646 . 1 1 66 66 THR HA H 1 5.106 0.000 . . . . . A 66 THR HA . 25973 1 647 . 1 1 66 66 THR HB H 1 3.999 0.000 . . . . . A 66 THR HB . 25973 1 648 . 1 1 66 66 THR HG21 H 1 0.845 0.000 . . . . . A 66 THR HG21 . 25973 1 649 . 1 1 66 66 THR HG22 H 1 0.845 0.000 . . . . . A 66 THR HG22 . 25973 1 650 . 1 1 66 66 THR HG23 H 1 0.845 0.000 . . . . . A 66 THR HG23 . 25973 1 651 . 1 1 66 66 THR C C 13 171.057 0.000 . . . . . A 66 THR C . 25973 1 652 . 1 1 66 66 THR CA C 13 59.814 0.000 . . . . . A 66 THR CA . 25973 1 653 . 1 1 66 66 THR CB C 13 67.491 0.000 . . . . . A 66 THR CB . 25973 1 654 . 1 1 66 66 THR CG2 C 13 18.878 0.000 . . . . . A 66 THR CG2 . 25973 1 655 . 1 1 66 66 THR N N 15 117.311 0.018 . . . . . A 66 THR N . 25973 1 656 . 1 1 67 67 LEU H H 1 9.318 0.001 . . . . . A 67 LEU H . 25973 1 657 . 1 1 67 67 LEU HA H 1 4.951 0.000 . . . . . A 67 LEU HA . 25973 1 658 . 1 1 67 67 LEU HB2 H 1 1.650 0.000 . . . . . A 67 LEU HB2 . 25973 1 659 . 1 1 67 67 LEU HG H 1 1.549 0.000 . . . . . A 67 LEU HG . 25973 1 660 . 1 1 67 67 LEU HD11 H 1 0.546 0.000 . . . . . A 67 LEU HD11 . 25973 1 661 . 1 1 67 67 LEU HD12 H 1 0.546 0.000 . . . . . A 67 LEU HD12 . 25973 1 662 . 1 1 67 67 LEU HD13 H 1 0.546 0.000 . . . . . A 67 LEU HD13 . 25973 1 663 . 1 1 67 67 LEU HD21 H 1 0.546 0.000 . . . . . A 67 LEU HD21 . 25973 1 664 . 1 1 67 67 LEU HD22 H 1 0.546 0.000 . . . . . A 67 LEU HD22 . 25973 1 665 . 1 1 67 67 LEU HD23 H 1 0.546 0.000 . . . . . A 67 LEU HD23 . 25973 1 666 . 1 1 67 67 LEU C C 13 173.090 0.000 . . . . . A 67 LEU C . 25973 1 667 . 1 1 67 67 LEU CA C 13 51.708 0.000 . . . . . A 67 LEU CA . 25973 1 668 . 1 1 67 67 LEU CB C 13 41.391 0.000 . . . . . A 67 LEU CB . 25973 1 669 . 1 1 67 67 LEU CG C 13 26.653 0.000 . . . . . A 67 LEU CG . 25973 1 670 . 1 1 67 67 LEU CD1 C 13 22.124 0.000 . . . . . A 67 LEU CD1 . 25973 1 671 . 1 1 67 67 LEU N N 15 127.157 0.008 . . . . . A 67 LEU N . 25973 1 672 . 1 1 68 68 HIS H H 1 9.141 0.002 . . . . . A 68 HIS H . 25973 1 673 . 1 1 68 68 HIS HA H 1 5.170 0.000 . . . . . A 68 HIS HA . 25973 1 674 . 1 1 68 68 HIS HB2 H 1 3.159 0.000 . . . . . A 68 HIS HB2 . 25973 1 675 . 1 1 68 68 HIS HB3 H 1 2.942 0.000 . . . . . A 68 HIS HB3 . 25973 1 676 . 1 1 68 68 HIS C C 13 170.031 0.000 . . . . . A 68 HIS C . 25973 1 677 . 1 1 68 68 HIS CA C 13 52.064 0.000 . . . . . A 68 HIS CA . 25973 1 678 . 1 1 68 68 HIS CB C 13 27.536 0.000 . . . . . A 68 HIS CB . 25973 1 679 . 1 1 68 68 HIS N N 15 118.227 0.040 . . . . . A 68 HIS N . 25973 1 680 . 1 1 69 69 LEU H H 1 8.332 0.002 . . . . . A 69 LEU H . 25973 1 681 . 1 1 69 69 LEU HA H 1 5.108 0.000 . . . . . A 69 LEU HA . 25973 1 682 . 1 1 69 69 LEU HB2 H 1 1.481 0.000 . . . . . A 69 LEU HB2 . 25973 1 683 . 1 1 69 69 LEU HG H 1 1.220 0.000 . . . . . A 69 LEU HG . 25973 1 684 . 1 1 69 69 LEU HD11 H 1 0.999 0.000 . . . . . A 69 LEU HD11 . 25973 1 685 . 1 1 69 69 LEU HD12 H 1 0.999 0.000 . . . . . A 69 LEU HD12 . 25973 1 686 . 1 1 69 69 LEU HD13 H 1 0.999 0.000 . . . . . A 69 LEU HD13 . 25973 1 687 . 1 1 69 69 LEU HD21 H 1 0.651 0.000 . . . . . A 69 LEU HD21 . 25973 1 688 . 1 1 69 69 LEU HD22 H 1 0.651 0.000 . . . . . A 69 LEU HD22 . 25973 1 689 . 1 1 69 69 LEU HD23 H 1 0.651 0.000 . . . . . A 69 LEU HD23 . 25973 1 690 . 1 1 69 69 LEU C C 13 172.304 0.000 . . . . . A 69 LEU C . 25973 1 691 . 1 1 69 69 LEU CA C 13 51.646 0.000 . . . . . A 69 LEU CA . 25973 1 692 . 1 1 69 69 LEU CB C 13 41.603 0.000 . . . . . A 69 LEU CB . 25973 1 693 . 1 1 69 69 LEU CG C 13 24.884 0.000 . . . . . A 69 LEU CG . 25973 1 694 . 1 1 69 69 LEU CD1 C 13 23.349 0.000 . . . . . A 69 LEU CD1 . 25973 1 695 . 1 1 69 69 LEU CD2 C 13 21.019 0.000 . . . . . A 69 LEU CD2 . 25973 1 696 . 1 1 69 69 LEU N N 15 124.847 0.041 . . . . . A 69 LEU N . 25973 1 697 . 1 1 70 70 VAL H H 1 9.159 0.001 . . . . . A 70 VAL H . 25973 1 698 . 1 1 70 70 VAL HA H 1 4.450 0.000 . . . . . A 70 VAL HA . 25973 1 699 . 1 1 70 70 VAL HB H 1 1.929 0.000 . . . . . A 70 VAL HB . 25973 1 700 . 1 1 70 70 VAL HG21 H 1 0.825 0.000 . . . . . A 70 VAL HG21 . 25973 1 701 . 1 1 70 70 VAL HG22 H 1 0.825 0.000 . . . . . A 70 VAL HG22 . 25973 1 702 . 1 1 70 70 VAL HG23 H 1 0.825 0.000 . . . . . A 70 VAL HG23 . 25973 1 703 . 1 1 70 70 VAL C C 13 177.746 0.000 . . . . . A 70 VAL C . 25973 1 704 . 1 1 70 70 VAL CA C 13 58.395 0.000 . . . . . A 70 VAL CA . 25973 1 705 . 1 1 70 70 VAL CB C 13 31.198 0.000 . . . . . A 70 VAL CB . 25973 1 706 . 1 1 70 70 VAL CG1 C 13 23.501 0.000 . . . . . A 70 VAL CG1 . 25973 1 707 . 1 1 70 70 VAL CG2 C 13 18.514 0.000 . . . . . A 70 VAL CG2 . 25973 1 708 . 1 1 70 70 VAL N N 15 128.173 0.010 . . . . . A 70 VAL N . 25973 1 709 . 1 1 71 71 LEU H H 1 8.273 0.004 . . . . . A 71 LEU H . 25973 1 710 . 1 1 71 71 LEU HA H 1 4.922 0.000 . . . . . A 71 LEU HA . 25973 1 711 . 1 1 71 71 LEU HB2 H 1 1.629 0.000 . . . . . A 71 LEU HB2 . 25973 1 712 . 1 1 71 71 LEU HG H 1 1.435 0.000 . . . . . A 71 LEU HG . 25973 1 713 . 1 1 71 71 LEU HD21 H 1 0.833 0.000 . . . . . A 71 LEU HD21 . 25973 1 714 . 1 1 71 71 LEU HD22 H 1 0.833 0.000 . . . . . A 71 LEU HD22 . 25973 1 715 . 1 1 71 71 LEU HD23 H 1 0.833 0.000 . . . . . A 71 LEU HD23 . 25973 1 716 . 1 1 71 71 LEU C C 13 174.917 0.000 . . . . . A 71 LEU C . 25973 1 717 . 1 1 71 71 LEU CA C 13 51.830 0.000 . . . . . A 71 LEU CA . 25973 1 718 . 1 1 71 71 LEU CB C 13 39.997 0.000 . . . . . A 71 LEU CB . 25973 1 719 . 1 1 71 71 LEU CG C 13 24.948 0.000 . . . . . A 71 LEU CG . 25973 1 720 . 1 1 71 71 LEU CD1 C 13 22.387 0.000 . . . . . A 71 LEU CD1 . 25973 1 721 . 1 1 71 71 LEU CD2 C 13 21.299 0.000 . . . . . A 71 LEU CD2 . 25973 1 722 . 1 1 71 71 LEU N N 15 124.557 0.053 . . . . . A 71 LEU N . 25973 1 723 . 1 1 72 72 ARG H H 1 8.532 0.003 . . . . . A 72 ARG H . 25973 1 724 . 1 1 72 72 ARG HA H 1 4.249 0.000 . . . . . A 72 ARG HA . 25973 1 725 . 1 1 72 72 ARG HB2 H 1 1.724 0.000 . . . . . A 72 ARG HB2 . 25973 1 726 . 1 1 72 72 ARG HG2 H 1 1.480 0.000 . . . . . A 72 ARG HG2 . 25973 1 727 . 1 1 72 72 ARG HD2 H 1 3.085 0.000 . . . . . A 72 ARG HD2 . 25973 1 728 . 1 1 72 72 ARG C C 13 172.657 0.000 . . . . . A 72 ARG C . 25973 1 729 . 1 1 72 72 ARG CA C 13 52.746 0.000 . . . . . A 72 ARG CA . 25973 1 730 . 1 1 72 72 ARG CB C 13 28.058 0.000 . . . . . A 72 ARG CB . 25973 1 731 . 1 1 72 72 ARG CG C 13 24.481 0.000 . . . . . A 72 ARG CG . 25973 1 732 . 1 1 72 72 ARG CD C 13 40.707 0.000 . . . . . A 72 ARG CD . 25973 1 733 . 1 1 72 72 ARG N N 15 123.440 0.040 . . . . . A 72 ARG N . 25973 1 734 . 1 1 73 73 LEU H H 1 8.289 0.004 . . . . . A 73 LEU H . 25973 1 735 . 1 1 73 73 LEU HA H 1 4.271 0.000 . . . . . A 73 LEU HA . 25973 1 736 . 1 1 73 73 LEU HB2 H 1 1.539 0.000 . . . . . A 73 LEU HB2 . 25973 1 737 . 1 1 73 73 LEU HG H 1 1.539 0.000 . . . . . A 73 LEU HG . 25973 1 738 . 1 1 73 73 LEU HD11 H 1 0.812 0.000 . . . . . A 73 LEU HD11 . 25973 1 739 . 1 1 73 73 LEU HD12 H 1 0.812 0.000 . . . . . A 73 LEU HD12 . 25973 1 740 . 1 1 73 73 LEU HD13 H 1 0.812 0.000 . . . . . A 73 LEU HD13 . 25973 1 741 . 1 1 73 73 LEU HD21 H 1 0.812 0.000 . . . . . A 73 LEU HD21 . 25973 1 742 . 1 1 73 73 LEU HD22 H 1 0.812 0.000 . . . . . A 73 LEU HD22 . 25973 1 743 . 1 1 73 73 LEU HD23 H 1 0.812 0.000 . . . . . A 73 LEU HD23 . 25973 1 744 . 1 1 73 73 LEU C C 13 174.691 0.000 . . . . . A 73 LEU C . 25973 1 745 . 1 1 73 73 LEU CA C 13 52.361 0.000 . . . . . A 73 LEU CA . 25973 1 746 . 1 1 73 73 LEU CB C 13 39.708 0.000 . . . . . A 73 LEU CB . 25973 1 747 . 1 1 73 73 LEU CG C 13 24.442 0.000 . . . . . A 73 LEU CG . 25973 1 748 . 1 1 73 73 LEU CD1 C 13 22.290 0.000 . . . . . A 73 LEU CD1 . 25973 1 749 . 1 1 73 73 LEU CD2 C 13 20.594 0.000 . . . . . A 73 LEU CD2 . 25973 1 750 . 1 1 73 73 LEU N N 15 124.189 0.087 . . . . . A 73 LEU N . 25973 1 751 . 1 1 74 74 ARG H H 1 8.268 0.002 . . . . . A 74 ARG H . 25973 1 752 . 1 1 74 74 ARG HA H 1 4.247 0.000 . . . . . A 74 ARG HA . 25973 1 753 . 1 1 74 74 ARG HB2 H 1 1.762 0.000 . . . . . A 74 ARG HB2 . 25973 1 754 . 1 1 74 74 ARG HG2 H 1 1.554 0.000 . . . . . A 74 ARG HG2 . 25973 1 755 . 1 1 74 74 ARG HD2 H 1 3.129 0.000 . . . . . A 74 ARG HD2 . 25973 1 756 . 1 1 74 74 ARG C C 13 173.901 0.000 . . . . . A 74 ARG C . 25973 1 757 . 1 1 74 74 ARG CA C 13 53.625 0.000 . . . . . A 74 ARG CA . 25973 1 758 . 1 1 74 74 ARG CB C 13 28.134 0.000 . . . . . A 74 ARG CB . 25973 1 759 . 1 1 74 74 ARG CG C 13 24.303 0.000 . . . . . A 74 ARG CG . 25973 1 760 . 1 1 74 74 ARG CD C 13 40.664 0.000 . . . . . A 74 ARG CD . 25973 1 761 . 1 1 74 74 ARG N N 15 121.162 0.095 . . . . . A 74 ARG N . 25973 1 762 . 1 1 75 75 GLY H H 1 8.367 0.002 . . . . . A 75 GLY H . 25973 1 763 . 1 1 75 75 GLY HA2 H 1 3.896 0.000 . . . . . A 75 GLY HA2 . 25973 1 764 . 1 1 75 75 GLY C C 13 171.504 0.000 . . . . . A 75 GLY C . 25973 1 765 . 1 1 75 75 GLY CA C 13 42.404 0.000 . . . . . A 75 GLY CA . 25973 1 766 . 1 1 75 75 GLY N N 15 110.230 0.015 . . . . . A 75 GLY N . 25973 1 767 . 1 1 76 76 GLY H H 1 8.119 0.009 . . . . . A 76 GLY H . 25973 1 768 . 1 1 76 76 GLY N N 15 110.162 0.234 . . . . . A 76 GLY N . 25973 1 stop_ save_