data_27197 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27197 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Dm. Par3 PDZ1 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-08-02 _Entry.Accession_date 2017-08-02 _Entry.Last_release_date 2017-08-02 _Entry.Original_release_date 2017-08-02 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . 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 Paulin Salomon . . . . 27197 2 Fabian Renschler . A. . . 27197 3 Susanne Bruekner . R. . . 27197 4 Silke Wiesner . . . . 27197 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'MPI for Developmental Biology, AG Wiesner' . 27197 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27197 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 374 27197 '15N chemical shifts' 85 27197 '1H chemical shifts' 597 27197 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2018-02-15 . original BMRB . 27197 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27198 'Chemical Shift Assignments for Dm. Par3 PDZ3 domain' 27197 BMRB 27203 'Chemical Shift Assignments for Dm. Par3 PDZ2 domain' 27197 BMRB 27204 'Chemical Shift Assignments for Hs. Par3 PDZ2 domain' 27197 BMRB 27205 'Chemical Shift Assignments for Hs. Par3 PDZ3 domain' 27197 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27197 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1126/scisignal.aam9899 _Citation.PubMed_ID 29440511 _Citation.Full_citation . _Citation.Title ; Structural basis for the interaction between the cell polarity proteins Par3 and Par6 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Signal.' _Citation.Journal_name_full 'Science signaling' _Citation.Journal_volume 11 _Citation.Journal_issue 517 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1937-9145 _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 9899 _Citation.Page_last 9899 _Citation.Year 2018 _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 Fabian Renschler F. A. . . 27197 1 2 Susanne Bruekner S. R. . . 27197 1 3 Paulin Salomon P. L. . . 27197 1 4 Amrita Mukherjee A. . . . 27197 1 5 Lars Kullmann L. . . . 27197 1 6 Mira Schutz-Stoffregen M. C. . . 27197 1 7 Christine Henzler C. . . . 27197 1 8 Tony Pawson T. . . . 27197 1 9 Michael Krahn M. P. . . 27197 1 10 Silke Wiesner S. . . . 27197 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'PDZ domain' 27197 1 'Par proteins' 27197 1 Par3 27197 1 Par6 27197 1 'cell polarity' 27197 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27197 _Assembly.ID 1 _Assembly.Name 'Dm. Par3 PDZ1 domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'Dm. Par3 PDZ1 domain' 1 $Par3_PDZ1_domain A . yes native no no . . . 27197 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 5OAK . . X-ray 1.5 . . 27197 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Par3_PDZ1_domain _Entity.Sf_category entity _Entity.Sf_framecode Par3_PDZ1_domain _Entity.Entry_ID 27197 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Par3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMGDGEMLLIINEYGSPLG LTALPDKEHGGGLLVQHVEP GSRAERGRLRRDDRILEING IKLIGLTESQVQEQLRRALE SSELRVRVLRGDRN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-3 represent a cloning artefact' _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 94 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . yes FlyBase FBpp0110299 . 'Bazooka (baz)' . . . . . . . . . . . . . . 27197 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Establishment and maintenance of cell poarity' 27197 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 27197 1 2 2 ALA . 27197 1 3 3 MET . 27197 1 4 4 GLY . 27197 1 5 5 ASP . 27197 1 6 6 GLY . 27197 1 7 7 GLU . 27197 1 8 8 MET . 27197 1 9 9 LEU . 27197 1 10 10 LEU . 27197 1 11 11 ILE . 27197 1 12 12 ILE . 27197 1 13 13 ASN . 27197 1 14 14 GLU . 27197 1 15 15 TYR . 27197 1 16 16 GLY . 27197 1 17 17 SER . 27197 1 18 18 PRO . 27197 1 19 19 LEU . 27197 1 20 20 GLY . 27197 1 21 21 LEU . 27197 1 22 22 THR . 27197 1 23 23 ALA . 27197 1 24 24 LEU . 27197 1 25 25 PRO . 27197 1 26 26 ASP . 27197 1 27 27 LYS . 27197 1 28 28 GLU . 27197 1 29 29 HIS . 27197 1 30 30 GLY . 27197 1 31 31 GLY . 27197 1 32 32 GLY . 27197 1 33 33 LEU . 27197 1 34 34 LEU . 27197 1 35 35 VAL . 27197 1 36 36 GLN . 27197 1 37 37 HIS . 27197 1 38 38 VAL . 27197 1 39 39 GLU . 27197 1 40 40 PRO . 27197 1 41 41 GLY . 27197 1 42 42 SER . 27197 1 43 43 ARG . 27197 1 44 44 ALA . 27197 1 45 45 GLU . 27197 1 46 46 ARG . 27197 1 47 47 GLY . 27197 1 48 48 ARG . 27197 1 49 49 LEU . 27197 1 50 50 ARG . 27197 1 51 51 ARG . 27197 1 52 52 ASP . 27197 1 53 53 ASP . 27197 1 54 54 ARG . 27197 1 55 55 ILE . 27197 1 56 56 LEU . 27197 1 57 57 GLU . 27197 1 58 58 ILE . 27197 1 59 59 ASN . 27197 1 60 60 GLY . 27197 1 61 61 ILE . 27197 1 62 62 LYS . 27197 1 63 63 LEU . 27197 1 64 64 ILE . 27197 1 65 65 GLY . 27197 1 66 66 LEU . 27197 1 67 67 THR . 27197 1 68 68 GLU . 27197 1 69 69 SER . 27197 1 70 70 GLN . 27197 1 71 71 VAL . 27197 1 72 72 GLN . 27197 1 73 73 GLU . 27197 1 74 74 GLN . 27197 1 75 75 LEU . 27197 1 76 76 ARG . 27197 1 77 77 ARG . 27197 1 78 78 ALA . 27197 1 79 79 LEU . 27197 1 80 80 GLU . 27197 1 81 81 SER . 27197 1 82 82 SER . 27197 1 83 83 GLU . 27197 1 84 84 LEU . 27197 1 85 85 ARG . 27197 1 86 86 VAL . 27197 1 87 87 ARG . 27197 1 88 88 VAL . 27197 1 89 89 LEU . 27197 1 90 90 ARG . 27197 1 91 91 GLY . 27197 1 92 92 ASP . 27197 1 93 93 ARG . 27197 1 94 94 ASN . 27197 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 . GLY 1 1 27197 1 . ALA 2 2 27197 1 . MET 3 3 27197 1 . GLY 4 4 27197 1 . ASP 5 5 27197 1 . GLY 6 6 27197 1 . GLU 7 7 27197 1 . MET 8 8 27197 1 . LEU 9 9 27197 1 . LEU 10 10 27197 1 . ILE 11 11 27197 1 . ILE 12 12 27197 1 . ASN 13 13 27197 1 . GLU 14 14 27197 1 . TYR 15 15 27197 1 . GLY 16 16 27197 1 . SER 17 17 27197 1 . PRO 18 18 27197 1 . LEU 19 19 27197 1 . GLY 20 20 27197 1 . LEU 21 21 27197 1 . THR 22 22 27197 1 . ALA 23 23 27197 1 . LEU 24 24 27197 1 . PRO 25 25 27197 1 . ASP 26 26 27197 1 . LYS 27 27 27197 1 . GLU 28 28 27197 1 . HIS 29 29 27197 1 . GLY 30 30 27197 1 . GLY 31 31 27197 1 . GLY 32 32 27197 1 . LEU 33 33 27197 1 . LEU 34 34 27197 1 . VAL 35 35 27197 1 . GLN 36 36 27197 1 . HIS 37 37 27197 1 . VAL 38 38 27197 1 . GLU 39 39 27197 1 . PRO 40 40 27197 1 . GLY 41 41 27197 1 . SER 42 42 27197 1 . ARG 43 43 27197 1 . ALA 44 44 27197 1 . GLU 45 45 27197 1 . ARG 46 46 27197 1 . GLY 47 47 27197 1 . ARG 48 48 27197 1 . LEU 49 49 27197 1 . ARG 50 50 27197 1 . ARG 51 51 27197 1 . ASP 52 52 27197 1 . ASP 53 53 27197 1 . ARG 54 54 27197 1 . ILE 55 55 27197 1 . LEU 56 56 27197 1 . GLU 57 57 27197 1 . ILE 58 58 27197 1 . ASN 59 59 27197 1 . GLY 60 60 27197 1 . ILE 61 61 27197 1 . LYS 62 62 27197 1 . LEU 63 63 27197 1 . ILE 64 64 27197 1 . GLY 65 65 27197 1 . LEU 66 66 27197 1 . THR 67 67 27197 1 . GLU 68 68 27197 1 . SER 69 69 27197 1 . GLN 70 70 27197 1 . VAL 71 71 27197 1 . GLN 72 72 27197 1 . GLU 73 73 27197 1 . GLN 74 74 27197 1 . LEU 75 75 27197 1 . ARG 76 76 27197 1 . ARG 77 77 27197 1 . ALA 78 78 27197 1 . LEU 79 79 27197 1 . GLU 80 80 27197 1 . SER 81 81 27197 1 . SER 82 82 27197 1 . GLU 83 83 27197 1 . LEU 84 84 27197 1 . ARG 85 85 27197 1 . VAL 86 86 27197 1 . ARG 87 87 27197 1 . VAL 88 88 27197 1 . LEU 89 89 27197 1 . ARG 90 90 27197 1 . GLY 91 91 27197 1 . ASP 92 92 27197 1 . ARG 93 93 27197 1 . ASN 94 94 27197 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 27197 _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 $Par3_PDZ1_domain . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . 27197 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 27197 _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 $Par3_PDZ1_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pETM-30 . . . 27197 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27197 _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 'Par3 PDZ1 domain' '[U-100% 13C; U-100% 15N]' . . 1 $Par3_PDZ1_domain . . 1 . . mM . . . . 27197 1 2 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 27197 1 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 27197 1 4 'sodium azide' 'natural abundance' . . . . . . 0.03 . . '% w/v' . . . . 27197 1 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27197 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 27197 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 27197 1 pH 6.5 . pH 27197 1 pressure 1 . atm 27197 1 temperature 293 . K 27197 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 27197 _Software.ID 1 _Software.Type . _Software.Name XEASY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 27197 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27197 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 27197 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27197 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _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 27197 _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 DMX . 600 . . . 27197 1 2 spectrometer_2 Bruker DMX . 800 . . . 27197 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 27197 _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 . . . . . . . . . . . . . . . . . . . . . 27197 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27197 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27197 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27197 1 5 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27197 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27197 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27197 1 8 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27197 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27197 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27197 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 27197 _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 water protons . . . . ppm 0 internal indirect . . . . . . 27197 1 H 1 water protons . . . . ppm 4.8 internal indirect 1 . . . . . 27197 1 N 15 water protons . . . . ppm 0 internal indirect . . . . . . 27197 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 27197 _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' . . . 27197 1 2 '3D CBCA(CO)NH' . . . 27197 1 3 '3D C(CO)NH' . . . 27197 1 4 '3D HNCACB' . . . 27197 1 5 '3D HNHA' . . . 27197 1 6 '3D 1H-15N NOESY' . . . 27197 1 7 '3D HNCO' . . . 27197 1 8 '3D HNCACO' . . . 27197 1 9 '3D H(CCO)NH' . . . 27197 1 10 '3D HCCH-TOCSY' . . . 27197 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XEASY . . 27197 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 5 5 ASP H H 1 8.240 0.000 . 1 . . . . . 5 ASP H . 27197 1 2 . 1 1 5 5 ASP HA H 1 4.586 0.000 . 1 . . . . . 5 ASP HA . 27197 1 3 . 1 1 5 5 ASP HB2 H 1 2.654 0.000 . 2 . . . . . 5 ASP HB2 . 27197 1 4 . 1 1 5 5 ASP HB3 H 1 2.558 0.000 . 2 . . . . . 5 ASP HB3 . 27197 1 5 . 1 1 5 5 ASP C C 13 173.938 0.000 . 1 . . . . . 5 ASP C . 27197 1 6 . 1 1 5 5 ASP CA C 13 54.699 0.000 . 1 . . . . . 5 ASP CA . 27197 1 7 . 1 1 5 5 ASP CB C 13 41.620 0.000 . 1 . . . . . 5 ASP CB . 27197 1 8 . 1 1 5 5 ASP N N 15 119.513 0.000 . 1 . . . . . 5 ASP N . 27197 1 9 . 1 1 6 6 GLY H H 1 8.263 0.000 . 1 . . . . . 6 GLY H . 27197 1 10 . 1 1 6 6 GLY HA2 H 1 4.013 0.000 . 1 . . . . . 6 GLY HA2 . 27197 1 11 . 1 1 6 6 GLY HA3 H 1 4.013 0.000 . 1 . . . . . 6 GLY HA3 . 27197 1 12 . 1 1 6 6 GLY C C 13 170.488 0.000 . 1 . . . . . 6 GLY C . 27197 1 13 . 1 1 6 6 GLY CA C 13 45.212 0.000 . 1 . . . . . 6 GLY CA . 27197 1 14 . 1 1 6 6 GLY N N 15 107.389 0.000 . 1 . . . . . 6 GLY N . 27197 1 15 . 1 1 7 7 GLU H H 1 8.863 0.000 . 1 . . . . . 7 GLU H . 27197 1 16 . 1 1 7 7 GLU HA H 1 4.592 0.000 . 1 . . . . . 7 GLU HA . 27197 1 17 . 1 1 7 7 GLU HB2 H 1 1.917 0.002 . 2 . . . . . 7 GLU HB2 . 27197 1 18 . 1 1 7 7 GLU HB3 H 1 1.846 0.000 . 2 . . . . . 7 GLU HB3 . 27197 1 19 . 1 1 7 7 GLU HG2 H 1 2.173 0.000 . 1 . . . . . 7 GLU HG2 . 27197 1 20 . 1 1 7 7 GLU HG3 H 1 2.173 0.000 . 1 . . . . . 7 GLU HG3 . 27197 1 21 . 1 1 7 7 GLU C C 13 171.888 0.000 . 1 . . . . . 7 GLU C . 27197 1 22 . 1 1 7 7 GLU CA C 13 54.970 0.000 . 1 . . . . . 7 GLU CA . 27197 1 23 . 1 1 7 7 GLU CB C 13 33.143 0.000 . 1 . . . . . 7 GLU CB . 27197 1 24 . 1 1 7 7 GLU CG C 13 36.385 0.074 . 1 . . . . . 7 GLU CG . 27197 1 25 . 1 1 7 7 GLU N N 15 120.795 0.000 . 1 . . . . . 7 GLU N . 27197 1 26 . 1 1 8 8 MET H H 1 8.689 0.000 . 1 . . . . . 8 MET H . 27197 1 27 . 1 1 8 8 MET HA H 1 5.205 0.000 . 1 . . . . . 8 MET HA . 27197 1 28 . 1 1 8 8 MET HB2 H 1 2.481 0.000 . 2 . . . . . 8 MET HB2 . 27197 1 29 . 1 1 8 8 MET HB3 H 1 2.391 0.000 . 2 . . . . . 8 MET HB3 . 27197 1 30 . 1 1 8 8 MET HG2 H 1 2.046 0.000 . 2 . . . . . 8 MET HG2 . 27197 1 31 . 1 1 8 8 MET HG3 H 1 1.858 0.000 . 2 . . . . . 8 MET HG3 . 27197 1 32 . 1 1 8 8 MET C C 13 172.690 0.000 . 1 . . . . . 8 MET C . 27197 1 33 . 1 1 8 8 MET CA C 13 54.202 0.002 . 1 . . . . . 8 MET CA . 27197 1 34 . 1 1 8 8 MET CB C 13 31.539 0.000 . 1 . . . . . 8 MET CB . 27197 1 35 . 1 1 8 8 MET CG C 13 31.958 0.000 . 1 . . . . . 8 MET CG . 27197 1 36 . 1 1 8 8 MET N N 15 123.131 0.000 . 1 . . . . . 8 MET N . 27197 1 37 . 1 1 9 9 LEU H H 1 9.355 0.000 . 1 . . . . . 9 LEU H . 27197 1 38 . 1 1 9 9 LEU HA H 1 4.710 0.000 . 1 . . . . . 9 LEU HA . 27197 1 39 . 1 1 9 9 LEU HB2 H 1 1.553 0.000 . 1 . . . . . 9 LEU HB2 . 27197 1 40 . 1 1 9 9 LEU HB3 H 1 1.553 0.000 . 1 . . . . . 9 LEU HB3 . 27197 1 41 . 1 1 9 9 LEU HG H 1 1.553 0.000 . 1 . . . . . 9 LEU HG . 27197 1 42 . 1 1 9 9 LEU C C 13 172.325 0.000 . 1 . . . . . 9 LEU C . 27197 1 43 . 1 1 9 9 LEU CA C 13 53.714 0.000 . 1 . . . . . 9 LEU CA . 27197 1 44 . 1 1 9 9 LEU CB C 13 43.533 0.000 . 1 . . . . . 9 LEU CB . 27197 1 45 . 1 1 9 9 LEU CG C 13 27.076 0.000 . 1 . . . . . 9 LEU CG . 27197 1 46 . 1 1 9 9 LEU CD1 C 13 26.014 0.000 . 2 . . . . . 9 LEU CD1 . 27197 1 47 . 1 1 9 9 LEU CD2 C 13 22.447 0.000 . 2 . . . . . 9 LEU CD2 . 27197 1 48 . 1 1 9 9 LEU N N 15 127.600 0.000 . 1 . . . . . 9 LEU N . 27197 1 49 . 1 1 10 10 LEU H H 1 8.385 0.000 . 1 . . . . . 10 LEU H . 27197 1 50 . 1 1 10 10 LEU HA H 1 5.072 0.000 . 1 . . . . . 10 LEU HA . 27197 1 51 . 1 1 10 10 LEU HB2 H 1 1.704 0.000 . 2 . . . . . 10 LEU HB2 . 27197 1 52 . 1 1 10 10 LEU HB3 H 1 1.362 0.000 . 2 . . . . . 10 LEU HB3 . 27197 1 53 . 1 1 10 10 LEU HG H 1 1.324 0.000 . 1 . . . . . 10 LEU HG . 27197 1 54 . 1 1 10 10 LEU HD11 H 1 0.803 0.000 . 2 . . . . . 10 LEU HD11 . 27197 1 55 . 1 1 10 10 LEU HD12 H 1 0.803 0.000 . 2 . . . . . 10 LEU HD12 . 27197 1 56 . 1 1 10 10 LEU HD13 H 1 0.803 0.000 . 2 . . . . . 10 LEU HD13 . 27197 1 57 . 1 1 10 10 LEU HD21 H 1 0.759 0.000 . 2 . . . . . 10 LEU HD21 . 27197 1 58 . 1 1 10 10 LEU HD22 H 1 0.759 0.000 . 2 . . . . . 10 LEU HD22 . 27197 1 59 . 1 1 10 10 LEU HD23 H 1 0.759 0.000 . 2 . . . . . 10 LEU HD23 . 27197 1 60 . 1 1 10 10 LEU C C 13 172.484 0.000 . 1 . . . . . 10 LEU C . 27197 1 61 . 1 1 10 10 LEU CA C 13 54.144 0.035 . 1 . . . . . 10 LEU CA . 27197 1 62 . 1 1 10 10 LEU CB C 13 44.099 0.029 . 1 . . . . . 10 LEU CB . 27197 1 63 . 1 1 10 10 LEU CG C 13 28.064 0.035 . 1 . . . . . 10 LEU CG . 27197 1 64 . 1 1 10 10 LEU CD1 C 13 25.731 0.066 . 2 . . . . . 10 LEU CD1 . 27197 1 65 . 1 1 10 10 LEU CD2 C 13 23.999 0.019 . 2 . . . . . 10 LEU CD2 . 27197 1 66 . 1 1 10 10 LEU N N 15 124.248 0.000 . 1 . . . . . 10 LEU N . 27197 1 67 . 1 1 11 11 ILE H H 1 9.338 0.000 . 1 . . . . . 11 ILE H . 27197 1 68 . 1 1 11 11 ILE HA H 1 4.319 0.001 . 1 . . . . . 11 ILE HA . 27197 1 69 . 1 1 11 11 ILE HB H 1 1.859 0.001 . 1 . . . . . 11 ILE HB . 27197 1 70 . 1 1 11 11 ILE HG12 H 1 1.112 0.001 . 2 . . . . . 11 ILE HG12 . 27197 1 71 . 1 1 11 11 ILE HG13 H 1 1.422 0.004 . 2 . . . . . 11 ILE HG13 . 27197 1 72 . 1 1 11 11 ILE HG21 H 1 0.736 0.000 . 1 . . . . . 11 ILE HG21 . 27197 1 73 . 1 1 11 11 ILE HG22 H 1 0.736 0.000 . 1 . . . . . 11 ILE HG22 . 27197 1 74 . 1 1 11 11 ILE HG23 H 1 0.736 0.000 . 1 . . . . . 11 ILE HG23 . 27197 1 75 . 1 1 11 11 ILE HD11 H 1 0.739 0.000 . 1 . . . . . 11 ILE HD11 . 27197 1 76 . 1 1 11 11 ILE HD12 H 1 0.739 0.000 . 1 . . . . . 11 ILE HD12 . 27197 1 77 . 1 1 11 11 ILE HD13 H 1 0.739 0.000 . 1 . . . . . 11 ILE HD13 . 27197 1 78 . 1 1 11 11 ILE C C 13 171.842 0.000 . 1 . . . . . 11 ILE C . 27197 1 79 . 1 1 11 11 ILE CA C 13 60.147 0.136 . 1 . . . . . 11 ILE CA . 27197 1 80 . 1 1 11 11 ILE CB C 13 40.059 0.039 . 1 . . . . . 11 ILE CB . 27197 1 81 . 1 1 11 11 ILE CG1 C 13 28.741 0.107 . 1 . . . . . 11 ILE CG1 . 27197 1 82 . 1 1 11 11 ILE CG2 C 13 18.569 0.000 . 1 . . . . . 11 ILE CG2 . 27197 1 83 . 1 1 11 11 ILE CD1 C 13 14.091 0.194 . 1 . . . . . 11 ILE CD1 . 27197 1 84 . 1 1 11 11 ILE N N 15 128.209 0.000 . 1 . . . . . 11 ILE N . 27197 1 85 . 1 1 12 12 ILE H H 1 8.583 0.000 . 1 . . . . . 12 ILE H . 27197 1 86 . 1 1 12 12 ILE HA H 1 4.218 0.000 . 1 . . . . . 12 ILE HA . 27197 1 87 . 1 1 12 12 ILE HB H 1 1.893 0.000 . 1 . . . . . 12 ILE HB . 27197 1 88 . 1 1 12 12 ILE HG12 H 1 1.478 0.000 . 2 . . . . . 12 ILE HG12 . 27197 1 89 . 1 1 12 12 ILE HG13 H 1 1.353 0.000 . 2 . . . . . 12 ILE HG13 . 27197 1 90 . 1 1 12 12 ILE HG21 H 1 0.951 0.000 . 1 . . . . . 12 ILE HG21 . 27197 1 91 . 1 1 12 12 ILE HG22 H 1 0.951 0.000 . 1 . . . . . 12 ILE HG22 . 27197 1 92 . 1 1 12 12 ILE HG23 H 1 0.951 0.000 . 1 . . . . . 12 ILE HG23 . 27197 1 93 . 1 1 12 12 ILE HD11 H 1 0.823 0.000 . 1 . . . . . 12 ILE HD11 . 27197 1 94 . 1 1 12 12 ILE HD12 H 1 0.823 0.000 . 1 . . . . . 12 ILE HD12 . 27197 1 95 . 1 1 12 12 ILE HD13 H 1 0.823 0.000 . 1 . . . . . 12 ILE HD13 . 27197 1 96 . 1 1 12 12 ILE C C 13 172.346 0.000 . 1 . . . . . 12 ILE C . 27197 1 97 . 1 1 12 12 ILE CA C 13 60.854 0.000 . 1 . . . . . 12 ILE CA . 27197 1 98 . 1 1 12 12 ILE CB C 13 37.803 0.000 . 1 . . . . . 12 ILE CB . 27197 1 99 . 1 1 12 12 ILE CG1 C 13 27.565 0.000 . 1 . . . . . 12 ILE CG1 . 27197 1 100 . 1 1 12 12 ILE CG2 C 13 17.872 0.000 . 1 . . . . . 12 ILE CG2 . 27197 1 101 . 1 1 12 12 ILE CD1 C 13 11.684 0.000 . 1 . . . . . 12 ILE CD1 . 27197 1 102 . 1 1 12 12 ILE N N 15 128.615 0.000 . 1 . . . . . 12 ILE N . 27197 1 103 . 1 1 13 13 ASN H H 1 8.215 0.000 . 1 . . . . . 13 ASN H . 27197 1 104 . 1 1 13 13 ASN HA H 1 4.731 0.000 . 1 . . . . . 13 ASN HA . 27197 1 105 . 1 1 13 13 ASN HB2 H 1 2.791 0.000 . 2 . . . . . 13 ASN HB2 . 27197 1 106 . 1 1 13 13 ASN HB3 H 1 2.324 0.000 . 2 . . . . . 13 ASN HB3 . 27197 1 107 . 1 1 13 13 ASN C C 13 170.973 0.000 . 1 . . . . . 13 ASN C . 27197 1 108 . 1 1 13 13 ASN CA C 13 52.332 0.000 . 1 . . . . . 13 ASN CA . 27197 1 109 . 1 1 13 13 ASN CB C 13 40.395 0.000 . 1 . . . . . 13 ASN CB . 27197 1 110 . 1 1 13 13 ASN N N 15 124.858 0.000 . 1 . . . . . 13 ASN N . 27197 1 111 . 1 1 14 14 GLU H H 1 7.787 0.000 . 1 . . . . . 14 GLU H . 27197 1 112 . 1 1 14 14 GLU HA H 1 4.367 0.000 . 1 . . . . . 14 GLU HA . 27197 1 113 . 1 1 14 14 GLU HB2 H 1 1.892 0.000 . 2 . . . . . 14 GLU HB2 . 27197 1 114 . 1 1 14 14 GLU HB3 H 1 1.754 0.000 . 2 . . . . . 14 GLU HB3 . 27197 1 115 . 1 1 14 14 GLU HG2 H 1 2.105 0.000 . 1 . . . . . 14 GLU HG2 . 27197 1 116 . 1 1 14 14 GLU HG3 H 1 2.105 0.000 . 1 . . . . . 14 GLU HG3 . 27197 1 117 . 1 1 14 14 GLU C C 13 172.278 0.000 . 1 . . . . . 14 GLU C . 27197 1 118 . 1 1 14 14 GLU CA C 13 55.652 0.015 . 1 . . . . . 14 GLU CA . 27197 1 119 . 1 1 14 14 GLU CB C 13 32.082 0.030 . 1 . . . . . 14 GLU CB . 27197 1 120 . 1 1 14 14 GLU CG C 13 36.440 0.050 . 1 . . . . . 14 GLU CG . 27197 1 121 . 1 1 14 14 GLU N N 15 123.842 0.000 . 1 . . . . . 14 GLU N . 27197 1 122 . 1 1 15 15 TYR H H 1 8.586 0.000 . 1 . . . . . 15 TYR H . 27197 1 123 . 1 1 15 15 TYR HA H 1 4.316 0.000 . 1 . . . . . 15 TYR HA . 27197 1 124 . 1 1 15 15 TYR HB2 H 1 3.049 0.000 . 2 . . . . . 15 TYR HB2 . 27197 1 125 . 1 1 15 15 TYR HB3 H 1 2.916 0.000 . 2 . . . . . 15 TYR HB3 . 27197 1 126 . 1 1 15 15 TYR C C 13 174.529 0.000 . 1 . . . . . 15 TYR C . 27197 1 127 . 1 1 15 15 TYR CA C 13 59.859 0.000 . 1 . . . . . 15 TYR CA . 27197 1 128 . 1 1 15 15 TYR CB C 13 38.024 0.000 . 1 . . . . . 15 TYR CB . 27197 1 129 . 1 1 15 15 TYR N N 15 124.673 0.000 . 1 . . . . . 15 TYR N . 27197 1 130 . 1 1 16 16 GLY H H 1 8.538 0.000 . 1 . . . . . 16 GLY H . 27197 1 131 . 1 1 16 16 GLY HA2 H 1 4.007 0.000 . 2 . . . . . 16 GLY HA2 . 27197 1 132 . 1 1 16 16 GLY HA3 H 1 3.459 0.000 . 2 . . . . . 16 GLY HA3 . 27197 1 133 . 1 1 16 16 GLY C C 13 171.045 0.000 . 1 . . . . . 16 GLY C . 27197 1 134 . 1 1 16 16 GLY CA C 13 45.466 0.000 . 1 . . . . . 16 GLY CA . 27197 1 135 . 1 1 16 16 GLY N N 15 114.244 0.000 . 1 . . . . . 16 GLY N . 27197 1 136 . 1 1 17 17 SER H H 1 7.910 0.000 . 1 . . . . . 17 SER H . 27197 1 137 . 1 1 17 17 SER HA H 1 4.991 0.000 . 1 . . . . . 17 SER HA . 27197 1 138 . 1 1 17 17 SER HB2 H 1 3.849 0.000 . 2 . . . . . 17 SER HB2 . 27197 1 139 . 1 1 17 17 SER HB3 H 1 3.779 0.000 . 2 . . . . . 17 SER HB3 . 27197 1 140 . 1 1 17 17 SER C C 13 169.574 0.000 . 1 . . . . . 17 SER C . 27197 1 141 . 1 1 17 17 SER CA C 13 55.408 0.025 . 1 . . . . . 17 SER CA . 27197 1 142 . 1 1 17 17 SER CB C 13 64.121 0.066 . 1 . . . . . 17 SER CB . 27197 1 143 . 1 1 17 17 SER N N 15 116.326 0.000 . 1 . . . . . 17 SER N . 27197 1 144 . 1 1 19 19 LEU HA H 1 4.202 0.000 . 1 . . . . . 19 LEU HA . 27197 1 145 . 1 1 19 19 LEU HB2 H 1 1.859 0.000 . 2 . . . . . 19 LEU HB2 . 27197 1 146 . 1 1 19 19 LEU HB3 H 1 1.698 0.000 . 2 . . . . . 19 LEU HB3 . 27197 1 147 . 1 1 19 19 LEU HG H 1 1.587 0.000 . 1 . . . . . 19 LEU HG . 27197 1 148 . 1 1 19 19 LEU HD11 H 1 0.852 0.000 . 2 . . . . . 19 LEU HD11 . 27197 1 149 . 1 1 19 19 LEU HD12 H 1 0.852 0.000 . 2 . . . . . 19 LEU HD12 . 27197 1 150 . 1 1 19 19 LEU HD13 H 1 0.852 0.000 . 2 . . . . . 19 LEU HD13 . 27197 1 151 . 1 1 19 19 LEU HD21 H 1 0.881 0.000 . 2 . . . . . 19 LEU HD21 . 27197 1 152 . 1 1 19 19 LEU HD22 H 1 0.881 0.000 . 2 . . . . . 19 LEU HD22 . 27197 1 153 . 1 1 19 19 LEU HD23 H 1 0.881 0.000 . 2 . . . . . 19 LEU HD23 . 27197 1 154 . 1 1 19 19 LEU C C 13 173.859 0.000 . 1 . . . . . 19 LEU C . 27197 1 155 . 1 1 19 19 LEU CA C 13 57.410 0.000 . 1 . . . . . 19 LEU CA . 27197 1 156 . 1 1 19 19 LEU CB C 13 42.697 0.000 . 1 . . . . . 19 LEU CB . 27197 1 157 . 1 1 19 19 LEU CG C 13 27.560 0.000 . 1 . . . . . 19 LEU CG . 27197 1 158 . 1 1 19 19 LEU CD1 C 13 26.170 0.000 . 2 . . . . . 19 LEU CD1 . 27197 1 159 . 1 1 19 19 LEU CD2 C 13 23.869 0.000 . 2 . . . . . 19 LEU CD2 . 27197 1 160 . 1 1 20 20 GLY H H 1 8.398 0.000 . 1 . . . . . 20 GLY H . 27197 1 161 . 1 1 20 20 GLY HA2 H 1 4.399 0.000 . 2 . . . . . 20 GLY HA2 . 27197 1 162 . 1 1 20 20 GLY HA3 H 1 3.761 0.000 . 2 . . . . . 20 GLY HA3 . 27197 1 163 . 1 1 20 20 GLY C C 13 171.065 0.000 . 1 . . . . . 20 GLY C . 27197 1 164 . 1 1 20 20 GLY CA C 13 45.591 0.000 . 1 . . . . . 20 GLY CA . 27197 1 165 . 1 1 20 20 GLY N N 15 127.905 0.000 . 1 . . . . . 20 GLY N . 27197 1 166 . 1 1 21 21 LEU H H 1 7.405 0.000 . 1 . . . . . 21 LEU H . 27197 1 167 . 1 1 21 21 LEU HA H 1 4.884 0.000 . 1 . . . . . 21 LEU HA . 27197 1 168 . 1 1 21 21 LEU HB2 H 1 1.753 0.000 . 1 . . . . . 21 LEU HB2 . 27197 1 169 . 1 1 21 21 LEU HB3 H 1 1.753 0.000 . 1 . . . . . 21 LEU HB3 . 27197 1 170 . 1 1 21 21 LEU HG H 1 1.418 0.000 . 1 . . . . . 21 LEU HG . 27197 1 171 . 1 1 21 21 LEU HD11 H 1 0.817 0.000 . 2 . . . . . 21 LEU HD11 . 27197 1 172 . 1 1 21 21 LEU HD12 H 1 0.817 0.000 . 2 . . . . . 21 LEU HD12 . 27197 1 173 . 1 1 21 21 LEU HD13 H 1 0.817 0.000 . 2 . . . . . 21 LEU HD13 . 27197 1 174 . 1 1 21 21 LEU HD21 H 1 0.643 0.000 . 2 . . . . . 21 LEU HD21 . 27197 1 175 . 1 1 21 21 LEU HD22 H 1 0.643 0.000 . 2 . . . . . 21 LEU HD22 . 27197 1 176 . 1 1 21 21 LEU HD23 H 1 0.643 0.000 . 2 . . . . . 21 LEU HD23 . 27197 1 177 . 1 1 21 21 LEU C C 13 172.462 0.000 . 1 . . . . . 21 LEU C . 27197 1 178 . 1 1 21 21 LEU CA C 13 53.466 0.093 . 1 . . . . . 21 LEU CA . 27197 1 179 . 1 1 21 21 LEU CB C 13 46.339 0.048 . 1 . . . . . 21 LEU CB . 27197 1 180 . 1 1 21 21 LEU CG C 13 27.263 0.000 . 1 . . . . . 21 LEU CG . 27197 1 181 . 1 1 21 21 LEU CD1 C 13 25.961 0.000 . 2 . . . . . 21 LEU CD1 . 27197 1 182 . 1 1 21 21 LEU CD2 C 13 25.682 0.000 . 2 . . . . . 21 LEU CD2 . 27197 1 183 . 1 1 21 21 LEU N N 15 120.338 0.000 . 1 . . . . . 21 LEU N . 27197 1 184 . 1 1 22 22 THR H H 1 8.632 0.000 . 1 . . . . . 22 THR H . 27197 1 185 . 1 1 22 22 THR HA H 1 4.670 0.000 . 1 . . . . . 22 THR HA . 27197 1 186 . 1 1 22 22 THR HB H 1 4.127 0.000 . 1 . . . . . 22 THR HB . 27197 1 187 . 1 1 22 22 THR HG21 H 1 1.227 0.000 . 1 . . . . . 22 THR HG21 . 27197 1 188 . 1 1 22 22 THR HG22 H 1 1.227 0.000 . 1 . . . . . 22 THR HG22 . 27197 1 189 . 1 1 22 22 THR HG23 H 1 1.227 0.000 . 1 . . . . . 22 THR HG23 . 27197 1 190 . 1 1 22 22 THR C C 13 170.216 0.000 . 1 . . . . . 22 THR C . 27197 1 191 . 1 1 22 22 THR CA C 13 62.744 0.114 . 1 . . . . . 22 THR CA . 27197 1 192 . 1 1 22 22 THR CB C 13 69.892 0.048 . 1 . . . . . 22 THR CB . 27197 1 193 . 1 1 22 22 THR CG2 C 13 21.320 0.059 . 1 . . . . . 22 THR CG2 . 27197 1 194 . 1 1 22 22 THR N N 15 122.369 0.000 . 1 . . . . . 22 THR N . 27197 1 195 . 1 1 23 23 ALA H H 1 9.268 0.000 . 1 . . . . . 23 ALA H . 27197 1 196 . 1 1 23 23 ALA HA H 1 5.267 0.000 . 1 . . . . . 23 ALA HA . 27197 1 197 . 1 1 23 23 ALA HB1 H 1 1.118 0.000 . 1 . . . . . 23 ALA HB1 . 27197 1 198 . 1 1 23 23 ALA HB2 H 1 1.118 0.000 . 1 . . . . . 23 ALA HB2 . 27197 1 199 . 1 1 23 23 ALA HB3 H 1 1.118 0.000 . 1 . . . . . 23 ALA HB3 . 27197 1 200 . 1 1 23 23 ALA C C 13 171.385 0.000 . 1 . . . . . 23 ALA C . 27197 1 201 . 1 1 23 23 ALA CA C 13 50.675 0.000 . 1 . . . . . 23 ALA CA . 27197 1 202 . 1 1 23 23 ALA CB C 13 22.534 0.000 . 1 . . . . . 23 ALA CB . 27197 1 203 . 1 1 23 23 ALA N N 15 131.155 0.000 . 1 . . . . . 23 ALA N . 27197 1 204 . 1 1 24 24 LEU H H 1 8.634 0.000 . 1 . . . . . 24 LEU H . 27197 1 205 . 1 1 24 24 LEU HA H 1 4.973 0.000 . 1 . . . . . 24 LEU HA . 27197 1 206 . 1 1 24 24 LEU HG H 1 1.557 0.000 . 1 . . . . . 24 LEU HG . 27197 1 207 . 1 1 24 24 LEU HD11 H 1 0.910 0.000 . 2 . . . . . 24 LEU HD11 . 27197 1 208 . 1 1 24 24 LEU HD12 H 1 0.910 0.000 . 2 . . . . . 24 LEU HD12 . 27197 1 209 . 1 1 24 24 LEU HD13 H 1 0.910 0.000 . 2 . . . . . 24 LEU HD13 . 27197 1 210 . 1 1 24 24 LEU HD21 H 1 0.942 0.000 . 2 . . . . . 24 LEU HD21 . 27197 1 211 . 1 1 24 24 LEU HD22 H 1 0.942 0.000 . 2 . . . . . 24 LEU HD22 . 27197 1 212 . 1 1 24 24 LEU HD23 H 1 0.942 0.000 . 2 . . . . . 24 LEU HD23 . 27197 1 213 . 1 1 24 24 LEU C C 13 171.317 0.000 . 1 . . . . . 24 LEU C . 27197 1 214 . 1 1 24 24 LEU CA C 13 52.189 0.057 . 1 . . . . . 24 LEU CA . 27197 1 215 . 1 1 24 24 LEU CB C 13 44.851 0.086 . 1 . . . . . 24 LEU CB . 27197 1 216 . 1 1 24 24 LEU CG C 13 27.647 0.023 . 1 . . . . . 24 LEU CG . 27197 1 217 . 1 1 24 24 LEU CD1 C 13 25.292 0.100 . 2 . . . . . 24 LEU CD1 . 27197 1 218 . 1 1 24 24 LEU CD2 C 13 24.160 0.070 . 2 . . . . . 24 LEU CD2 . 27197 1 219 . 1 1 24 24 LEU N N 15 122.014 0.000 . 1 . . . . . 24 LEU N . 27197 1 220 . 1 1 25 25 PRO HA H 1 4.597 0.000 . 1 . . . . . 25 PRO HA . 27197 1 221 . 1 1 25 25 PRO HB2 H 1 2.364 0.000 . 2 . . . . . 25 PRO HB2 . 27197 1 222 . 1 1 25 25 PRO HB3 H 1 1.939 0.000 . 2 . . . . . 25 PRO HB3 . 27197 1 223 . 1 1 25 25 PRO HG2 H 1 2.241 0.000 . 2 . . . . . 25 PRO HG2 . 27197 1 224 . 1 1 25 25 PRO HG3 H 1 1.838 0.000 . 2 . . . . . 25 PRO HG3 . 27197 1 225 . 1 1 25 25 PRO HD2 H 1 3.762 0.000 . 1 . . . . . 25 PRO HD2 . 27197 1 226 . 1 1 25 25 PRO HD3 H 1 3.762 0.000 . 1 . . . . . 25 PRO HD3 . 27197 1 227 . 1 1 25 25 PRO C C 13 173.125 0.000 . 1 . . . . . 25 PRO C . 27197 1 228 . 1 1 25 25 PRO CA C 13 63.616 0.000 . 1 . . . . . 25 PRO CA . 27197 1 229 . 1 1 25 25 PRO CB C 13 32.151 0.000 . 1 . . . . . 25 PRO CB . 27197 1 230 . 1 1 25 25 PRO CG C 13 28.109 0.000 . 1 . . . . . 25 PRO CG . 27197 1 231 . 1 1 25 25 PRO CD C 13 50.592 0.000 . 1 . . . . . 25 PRO CD . 27197 1 232 . 1 1 26 26 ASP H H 1 8.232 0.000 . 1 . . . . . 26 ASP H . 27197 1 233 . 1 1 26 26 ASP HA H 1 4.713 0.000 . 1 . . . . . 26 ASP HA . 27197 1 234 . 1 1 26 26 ASP HB2 H 1 2.596 0.000 . 2 . . . . . 26 ASP HB2 . 27197 1 235 . 1 1 26 26 ASP HB3 H 1 2.301 0.000 . 2 . . . . . 26 ASP HB3 . 27197 1 236 . 1 1 26 26 ASP C C 13 173.585 0.000 . 1 . . . . . 26 ASP C . 27197 1 237 . 1 1 26 26 ASP CA C 13 53.505 0.000 . 1 . . . . . 26 ASP CA . 27197 1 238 . 1 1 26 26 ASP CB C 13 42.557 0.000 . 1 . . . . . 26 ASP CB . 27197 1 239 . 1 1 26 26 ASP N N 15 123.963 0.000 . 1 . . . . . 26 ASP N . 27197 1 240 . 1 1 27 27 LYS H H 1 8.469 0.000 . 1 . . . . . 27 LYS H . 27197 1 241 . 1 1 27 27 LYS HA H 1 4.217 0.000 . 1 . . . . . 27 LYS HA . 27197 1 242 . 1 1 27 27 LYS C C 13 175.103 0.000 . 1 . . . . . 27 LYS C . 27197 1 243 . 1 1 27 27 LYS CA C 13 57.799 0.000 . 1 . . . . . 27 LYS CA . 27197 1 244 . 1 1 27 27 LYS CB C 13 33.323 0.000 . 1 . . . . . 27 LYS CB . 27197 1 245 . 1 1 27 27 LYS N N 15 124.705 0.000 . 1 . . . . . 27 LYS N . 27197 1 246 . 1 1 28 28 GLU H H 1 8.372 0.000 . 1 . . . . . 28 GLU H . 27197 1 247 . 1 1 28 28 GLU HA H 1 4.127 0.000 . 1 . . . . . 28 GLU HA . 27197 1 248 . 1 1 28 28 GLU HB2 H 1 1.768 0.000 . 2 . . . . . 28 GLU HB2 . 27197 1 249 . 1 1 28 28 GLU HB3 H 1 1.701 0.000 . 2 . . . . . 28 GLU HB3 . 27197 1 250 . 1 1 28 28 GLU HG2 H 1 2.107 0.000 . 2 . . . . . 28 GLU HG2 . 27197 1 251 . 1 1 28 28 GLU HG3 H 1 1.998 0.000 . 2 . . . . . 28 GLU HG3 . 27197 1 252 . 1 1 28 28 GLU C C 13 174.117 0.000 . 1 . . . . . 28 GLU C . 27197 1 253 . 1 1 28 28 GLU CA C 13 57.613 0.000 . 1 . . . . . 28 GLU CA . 27197 1 254 . 1 1 28 28 GLU CB C 13 30.261 0.000 . 1 . . . . . 28 GLU CB . 27197 1 255 . 1 1 28 28 GLU CG C 13 36.351 0.000 . 1 . . . . . 28 GLU CG . 27197 1 256 . 1 1 28 28 GLU N N 15 119.526 0.000 . 1 . . . . . 28 GLU N . 27197 1 257 . 1 1 29 29 HIS H H 1 8.343 0.000 . 1 . . . . . 29 HIS H . 27197 1 258 . 1 1 29 29 HIS HA H 1 4.634 0.000 . 1 . . . . . 29 HIS HA . 27197 1 259 . 1 1 29 29 HIS HB2 H 1 3.324 0.000 . 2 . . . . . 29 HIS HB2 . 27197 1 260 . 1 1 29 29 HIS HB3 H 1 3.118 0.000 . 2 . . . . . 29 HIS HB3 . 27197 1 261 . 1 1 29 29 HIS C C 13 172.965 0.000 . 1 . . . . . 29 HIS C . 27197 1 262 . 1 1 29 29 HIS CA C 13 56.434 0.000 . 1 . . . . . 29 HIS CA . 27197 1 263 . 1 1 29 29 HIS CB C 13 29.725 0.000 . 1 . . . . . 29 HIS CB . 27197 1 264 . 1 1 29 29 HIS N N 15 116.428 0.000 . 1 . . . . . 29 HIS N . 27197 1 265 . 1 1 30 30 GLY H H 1 7.981 0.000 . 1 . . . . . 30 GLY H . 27197 1 266 . 1 1 30 30 GLY HA2 H 1 4.200 0.000 . 2 . . . . . 30 GLY HA2 . 27197 1 267 . 1 1 30 30 GLY HA3 H 1 3.743 0.000 . 2 . . . . . 30 GLY HA3 . 27197 1 268 . 1 1 30 30 GLY C C 13 171.803 0.000 . 1 . . . . . 30 GLY C . 27197 1 269 . 1 1 30 30 GLY CA C 13 45.845 0.000 . 1 . . . . . 30 GLY CA . 27197 1 270 . 1 1 30 30 GLY N N 15 107.694 0.000 . 1 . . . . . 30 GLY N . 27197 1 271 . 1 1 31 31 GLY H H 1 8.062 0.000 . 1 . . . . . 31 GLY H . 27197 1 272 . 1 1 31 31 GLY HA2 H 1 4.484 0.000 . 2 . . . . . 31 GLY HA2 . 27197 1 273 . 1 1 31 31 GLY HA3 H 1 3.945 0.000 . 2 . . . . . 31 GLY HA3 . 27197 1 274 . 1 1 31 31 GLY C C 13 170.849 0.000 . 1 . . . . . 31 GLY C . 27197 1 275 . 1 1 31 31 GLY CA C 13 44.904 0.000 . 1 . . . . . 31 GLY CA . 27197 1 276 . 1 1 31 31 GLY N N 15 108.608 0.000 . 1 . . . . . 31 GLY N . 27197 1 277 . 1 1 32 32 GLY H H 1 8.491 0.000 . 1 . . . . . 32 GLY H . 27197 1 278 . 1 1 32 32 GLY HA2 H 1 4.396 0.000 . 2 . . . . . 32 GLY HA2 . 27197 1 279 . 1 1 32 32 GLY HA3 H 1 3.540 0.000 . 2 . . . . . 32 GLY HA3 . 27197 1 280 . 1 1 32 32 GLY C C 13 170.515 0.000 . 1 . . . . . 32 GLY C . 27197 1 281 . 1 1 32 32 GLY CA C 13 44.996 0.000 . 1 . . . . . 32 GLY CA . 27197 1 282 . 1 1 32 32 GLY N N 15 131.358 0.000 . 1 . . . . . 32 GLY N . 27197 1 283 . 1 1 33 33 LEU H H 1 8.068 0.000 . 1 . . . . . 33 LEU H . 27197 1 284 . 1 1 33 33 LEU HA H 1 4.857 0.000 . 1 . . . . . 33 LEU HA . 27197 1 285 . 1 1 33 33 LEU HB2 H 1 1.507 0.000 . 2 . . . . . 33 LEU HB2 . 27197 1 286 . 1 1 33 33 LEU HB3 H 1 1.132 0.000 . 2 . . . . . 33 LEU HB3 . 27197 1 287 . 1 1 33 33 LEU HG H 1 1.350 0.000 . 1 . . . . . 33 LEU HG . 27197 1 288 . 1 1 33 33 LEU HD11 H 1 0.640 0.000 . 1 . . . . . 33 LEU HD11 . 27197 1 289 . 1 1 33 33 LEU HD12 H 1 0.640 0.000 . 1 . . . . . 33 LEU HD12 . 27197 1 290 . 1 1 33 33 LEU HD13 H 1 0.640 0.000 . 1 . . . . . 33 LEU HD13 . 27197 1 291 . 1 1 33 33 LEU HD21 H 1 0.640 0.000 . 1 . . . . . 33 LEU HD21 . 27197 1 292 . 1 1 33 33 LEU HD22 H 1 0.640 0.000 . 1 . . . . . 33 LEU HD22 . 27197 1 293 . 1 1 33 33 LEU HD23 H 1 0.640 0.000 . 1 . . . . . 33 LEU HD23 . 27197 1 294 . 1 1 33 33 LEU C C 13 171.781 0.000 . 1 . . . . . 33 LEU C . 27197 1 295 . 1 1 33 33 LEU CA C 13 53.368 0.000 . 1 . . . . . 33 LEU CA . 27197 1 296 . 1 1 33 33 LEU CB C 13 46.828 0.000 . 1 . . . . . 33 LEU CB . 27197 1 297 . 1 1 33 33 LEU CG C 13 27.203 0.000 . 1 . . . . . 33 LEU CG . 27197 1 298 . 1 1 33 33 LEU CD1 C 13 23.636 0.000 . 1 . . . . . 33 LEU CD1 . 27197 1 299 . 1 1 33 33 LEU CD2 C 13 23.636 0.000 . 1 . . . . . 33 LEU CD2 . 27197 1 300 . 1 1 33 33 LEU N N 15 119.983 0.000 . 1 . . . . . 33 LEU N . 27197 1 301 . 1 1 34 34 LEU H H 1 9.357 0.000 . 1 . . . . . 34 LEU H . 27197 1 302 . 1 1 34 34 LEU HA H 1 4.960 0.000 . 1 . . . . . 34 LEU HA . 27197 1 303 . 1 1 34 34 LEU HB2 H 1 1.761 0.000 . 2 . . . . . 34 LEU HB2 . 27197 1 304 . 1 1 34 34 LEU HB3 H 1 1.391 0.000 . 2 . . . . . 34 LEU HB3 . 27197 1 305 . 1 1 34 34 LEU HD11 H 1 0.881 0.000 . 2 . . . . . 34 LEU HD11 . 27197 1 306 . 1 1 34 34 LEU HD12 H 1 0.881 0.000 . 2 . . . . . 34 LEU HD12 . 27197 1 307 . 1 1 34 34 LEU HD13 H 1 0.881 0.000 . 2 . . . . . 34 LEU HD13 . 27197 1 308 . 1 1 34 34 LEU HD21 H 1 0.855 0.000 . 2 . . . . . 34 LEU HD21 . 27197 1 309 . 1 1 34 34 LEU HD22 H 1 0.855 0.000 . 2 . . . . . 34 LEU HD22 . 27197 1 310 . 1 1 34 34 LEU HD23 H 1 0.855 0.000 . 2 . . . . . 34 LEU HD23 . 27197 1 311 . 1 1 34 34 LEU C C 13 174.072 0.000 . 1 . . . . . 34 LEU C . 27197 1 312 . 1 1 34 34 LEU CA C 13 53.812 0.000 . 1 . . . . . 34 LEU CA . 27197 1 313 . 1 1 34 34 LEU CB C 13 44.579 0.000 . 1 . . . . . 34 LEU CB . 27197 1 314 . 1 1 34 34 LEU CD1 C 13 25.420 0.000 . 2 . . . . . 34 LEU CD1 . 27197 1 315 . 1 1 34 34 LEU CD2 C 13 23.814 0.000 . 2 . . . . . 34 LEU CD2 . 27197 1 316 . 1 1 34 34 LEU N N 15 125.365 0.000 . 1 . . . . . 34 LEU N . 27197 1 317 . 1 1 35 35 VAL H H 1 9.203 0.000 . 1 . . . . . 35 VAL H . 27197 1 318 . 1 1 35 35 VAL HA H 1 3.791 0.000 . 1 . . . . . 35 VAL HA . 27197 1 319 . 1 1 35 35 VAL HB H 1 2.389 0.000 . 1 . . . . . 35 VAL HB . 27197 1 320 . 1 1 35 35 VAL HG11 H 1 0.907 0.000 . 2 . . . . . 35 VAL HG11 . 27197 1 321 . 1 1 35 35 VAL HG12 H 1 0.907 0.000 . 2 . . . . . 35 VAL HG12 . 27197 1 322 . 1 1 35 35 VAL HG13 H 1 0.907 0.000 . 2 . . . . . 35 VAL HG13 . 27197 1 323 . 1 1 35 35 VAL HG21 H 1 0.576 0.000 . 2 . . . . . 35 VAL HG21 . 27197 1 324 . 1 1 35 35 VAL HG22 H 1 0.576 0.000 . 2 . . . . . 35 VAL HG22 . 27197 1 325 . 1 1 35 35 VAL HG23 H 1 0.576 0.000 . 2 . . . . . 35 VAL HG23 . 27197 1 326 . 1 1 35 35 VAL C C 13 172.873 0.000 . 1 . . . . . 35 VAL C . 27197 1 327 . 1 1 35 35 VAL CA C 13 64.506 0.009 . 1 . . . . . 35 VAL CA . 27197 1 328 . 1 1 35 35 VAL CB C 13 31.257 0.017 . 1 . . . . . 35 VAL CB . 27197 1 329 . 1 1 35 35 VAL CG1 C 13 22.860 0.000 . 2 . . . . . 35 VAL CG1 . 27197 1 330 . 1 1 35 35 VAL CG2 C 13 22.771 0.043 . 2 . . . . . 35 VAL CG2 . 27197 1 331 . 1 1 35 35 VAL N N 15 126.686 0.000 . 1 . . . . . 35 VAL N . 27197 1 332 . 1 1 36 36 GLN H H 1 9.035 0.000 . 1 . . . . . 36 GLN H . 27197 1 333 . 1 1 36 36 GLN HA H 1 4.415 0.000 . 1 . . . . . 36 GLN HA . 27197 1 334 . 1 1 36 36 GLN HB2 H 1 2.043 0.000 . 2 . . . . . 36 GLN HB2 . 27197 1 335 . 1 1 36 36 GLN HB3 H 1 1.814 0.000 . 2 . . . . . 36 GLN HB3 . 27197 1 336 . 1 1 36 36 GLN HG2 H 1 2.345 0.000 . 2 . . . . . 36 GLN HG2 . 27197 1 337 . 1 1 36 36 GLN HG3 H 1 2.249 0.000 . 2 . . . . . 36 GLN HG3 . 27197 1 338 . 1 1 36 36 GLN C C 13 172.576 0.000 . 1 . . . . . 36 GLN C . 27197 1 339 . 1 1 36 36 GLN CA C 13 56.771 0.000 . 1 . . . . . 36 GLN CA . 27197 1 340 . 1 1 36 36 GLN CB C 13 31.234 0.000 . 1 . . . . . 36 GLN CB . 27197 1 341 . 1 1 36 36 GLN CG C 13 34.220 0.000 . 1 . . . . . 36 GLN CG . 27197 1 342 . 1 1 36 36 GLN N N 15 130.748 0.000 . 1 . . . . . 36 GLN N . 27197 1 343 . 1 1 37 37 HIS H H 1 7.715 0.000 . 1 . . . . . 37 HIS H . 27197 1 344 . 1 1 37 37 HIS HA H 1 4.615 0.000 . 1 . . . . . 37 HIS HA . 27197 1 345 . 1 1 37 37 HIS HB2 H 1 3.134 0.000 . 2 . . . . . 37 HIS HB2 . 27197 1 346 . 1 1 37 37 HIS HB3 H 1 2.674 0.000 . 2 . . . . . 37 HIS HB3 . 27197 1 347 . 1 1 37 37 HIS C C 13 169.712 0.000 . 1 . . . . . 37 HIS C . 27197 1 348 . 1 1 37 37 HIS CA C 13 57.540 0.000 . 1 . . . . . 37 HIS CA . 27197 1 349 . 1 1 37 37 HIS CB C 13 34.519 0.000 . 1 . . . . . 37 HIS CB . 27197 1 350 . 1 1 37 37 HIS N N 15 115.819 0.000 . 1 . . . . . 37 HIS N . 27197 1 351 . 1 1 38 38 VAL H H 1 7.687 0.000 . 1 . . . . . 38 VAL H . 27197 1 352 . 1 1 38 38 VAL HA H 1 4.419 0.000 . 1 . . . . . 38 VAL HA . 27197 1 353 . 1 1 38 38 VAL HB H 1 1.577 0.000 . 1 . . . . . 38 VAL HB . 27197 1 354 . 1 1 38 38 VAL HG11 H 1 0.566 0.000 . 2 . . . . . 38 VAL HG11 . 27197 1 355 . 1 1 38 38 VAL HG12 H 1 0.566 0.000 . 2 . . . . . 38 VAL HG12 . 27197 1 356 . 1 1 38 38 VAL HG13 H 1 0.566 0.000 . 2 . . . . . 38 VAL HG13 . 27197 1 357 . 1 1 38 38 VAL HG21 H 1 0.454 0.000 . 2 . . . . . 38 VAL HG21 . 27197 1 358 . 1 1 38 38 VAL HG22 H 1 0.454 0.000 . 2 . . . . . 38 VAL HG22 . 27197 1 359 . 1 1 38 38 VAL HG23 H 1 0.454 0.000 . 2 . . . . . 38 VAL HG23 . 27197 1 360 . 1 1 38 38 VAL C C 13 172.049 0.000 . 1 . . . . . 38 VAL C . 27197 1 361 . 1 1 38 38 VAL CA C 13 60.615 0.079 . 1 . . . . . 38 VAL CA . 27197 1 362 . 1 1 38 38 VAL CB C 13 34.434 0.061 . 1 . . . . . 38 VAL CB . 27197 1 363 . 1 1 38 38 VAL CG1 C 13 21.451 0.311 . 2 . . . . . 38 VAL CG1 . 27197 1 364 . 1 1 38 38 VAL CG2 C 13 20.855 0.133 . 2 . . . . . 38 VAL CG2 . 27197 1 365 . 1 1 38 38 VAL N N 15 124.553 0.000 . 1 . . . . . 38 VAL N . 27197 1 366 . 1 1 39 39 GLU H H 1 8.817 0.000 . 1 . . . . . 39 GLU H . 27197 1 367 . 1 1 39 39 GLU HA H 1 4.413 0.020 . 1 . . . . . 39 GLU HA . 27197 1 368 . 1 1 39 39 GLU HB2 H 1 1.953 0.000 . 1 . . . . . 39 GLU HB2 . 27197 1 369 . 1 1 39 39 GLU HB3 H 1 1.953 0.000 . 1 . . . . . 39 GLU HB3 . 27197 1 370 . 1 1 39 39 GLU HG2 H 1 2.396 0.000 . 1 . . . . . 39 GLU HG2 . 27197 1 371 . 1 1 39 39 GLU HG3 H 1 2.396 0.000 . 1 . . . . . 39 GLU HG3 . 27197 1 372 . 1 1 39 39 GLU C C 13 172.346 0.000 . 1 . . . . . 39 GLU C . 27197 1 373 . 1 1 39 39 GLU CA C 13 54.460 0.195 . 1 . . . . . 39 GLU CA . 27197 1 374 . 1 1 39 39 GLU CB C 13 30.587 0.066 . 1 . . . . . 39 GLU CB . 27197 1 375 . 1 1 39 39 GLU CG C 13 35.039 0.023 . 1 . . . . . 39 GLU CG . 27197 1 376 . 1 1 39 39 GLU N N 15 128.209 0.000 . 1 . . . . . 39 GLU N . 27197 1 377 . 1 1 40 40 PRO HA H 1 4.533 0.000 . 1 . . . . . 40 PRO HA . 27197 1 378 . 1 1 40 40 PRO HB2 H 1 2.399 0.000 . 2 . . . . . 40 PRO HB2 . 27197 1 379 . 1 1 40 40 PRO HB3 H 1 1.950 0.000 . 2 . . . . . 40 PRO HB3 . 27197 1 380 . 1 1 40 40 PRO HG2 H 1 2.215 0.000 . 2 . . . . . 40 PRO HG2 . 27197 1 381 . 1 1 40 40 PRO HG3 H 1 2.045 0.000 . 2 . . . . . 40 PRO HG3 . 27197 1 382 . 1 1 40 40 PRO HD2 H 1 3.765 0.000 . 1 . . . . . 40 PRO HD2 . 27197 1 383 . 1 1 40 40 PRO HD3 H 1 3.765 0.000 . 1 . . . . . 40 PRO HD3 . 27197 1 384 . 1 1 40 40 PRO C C 13 175.302 0.000 . 1 . . . . . 40 PRO C . 27197 1 385 . 1 1 40 40 PRO CA C 13 64.228 0.000 . 1 . . . . . 40 PRO CA . 27197 1 386 . 1 1 40 40 PRO CB C 13 32.092 0.000 . 1 . . . . . 40 PRO CB . 27197 1 387 . 1 1 40 40 PRO CG C 13 27.858 0.000 . 1 . . . . . 40 PRO CG . 27197 1 388 . 1 1 40 40 PRO CD C 13 51.285 0.000 . 1 . . . . . 40 PRO CD . 27197 1 389 . 1 1 41 41 GLY H H 1 9.497 0.000 . 1 . . . . . 41 GLY H . 27197 1 390 . 1 1 41 41 GLY HA2 H 1 4.122 0.000 . 2 . . . . . 41 GLY HA2 . 27197 1 391 . 1 1 41 41 GLY HA3 H 1 3.736 0.000 . 2 . . . . . 41 GLY HA3 . 27197 1 392 . 1 1 41 41 GLY C C 13 171.271 0.000 . 1 . . . . . 41 GLY C . 27197 1 393 . 1 1 41 41 GLY CA C 13 45.822 0.000 . 1 . . . . . 41 GLY CA . 27197 1 394 . 1 1 41 41 GLY N N 15 114.092 0.000 . 1 . . . . . 41 GLY N . 27197 1 395 . 1 1 42 42 SER H H 1 7.584 0.000 . 1 . . . . . 42 SER H . 27197 1 396 . 1 1 42 42 SER HA H 1 4.437 0.000 . 1 . . . . . 42 SER HA . 27197 1 397 . 1 1 42 42 SER HB2 H 1 4.468 0.000 . 2 . . . . . 42 SER HB2 . 27197 1 398 . 1 1 42 42 SER HB3 H 1 3.855 0.000 . 2 . . . . . 42 SER HB3 . 27197 1 399 . 1 1 42 42 SER C C 13 172.782 0.000 . 1 . . . . . 42 SER C . 27197 1 400 . 1 1 42 42 SER CA C 13 58.310 0.000 . 1 . . . . . 42 SER CA . 27197 1 401 . 1 1 42 42 SER CB C 13 67.246 0.000 . 1 . . . . . 42 SER CB . 27197 1 402 . 1 1 42 42 SER N N 15 113.990 0.000 . 1 . . . . . 42 SER N . 27197 1 403 . 1 1 43 43 ARG H H 1 9.177 0.000 . 1 . . . . . 43 ARG H . 27197 1 404 . 1 1 43 43 ARG HA H 1 4.000 0.000 . 1 . . . . . 43 ARG HA . 27197 1 405 . 1 1 43 43 ARG HB2 H 1 2.061 0.000 . 2 . . . . . 43 ARG HB2 . 27197 1 406 . 1 1 43 43 ARG HB3 H 1 1.941 0.000 . 2 . . . . . 43 ARG HB3 . 27197 1 407 . 1 1 43 43 ARG HG2 H 1 1.759 0.000 . 1 . . . . . 43 ARG HG2 . 27197 1 408 . 1 1 43 43 ARG HG3 H 1 1.759 0.000 . 1 . . . . . 43 ARG HG3 . 27197 1 409 . 1 1 43 43 ARG HD2 H 1 3.356 0.000 . 1 . . . . . 43 ARG HD2 . 27197 1 410 . 1 1 43 43 ARG HD3 H 1 3.356 0.000 . 1 . . . . . 43 ARG HD3 . 27197 1 411 . 1 1 43 43 ARG C C 13 177.295 0.000 . 1 . . . . . 43 ARG C . 27197 1 412 . 1 1 43 43 ARG CA C 13 59.723 0.086 . 1 . . . . . 43 ARG CA . 27197 1 413 . 1 1 43 43 ARG CB C 13 30.243 0.000 . 1 . . . . . 43 ARG CB . 27197 1 414 . 1 1 43 43 ARG CG C 13 28.512 0.000 . 1 . . . . . 43 ARG CG . 27197 1 415 . 1 1 43 43 ARG CD C 13 43.377 0.000 . 1 . . . . . 43 ARG CD . 27197 1 416 . 1 1 43 43 ARG N N 15 120.592 0.000 . 1 . . . . . 43 ARG N . 27197 1 417 . 1 1 44 44 ALA H H 1 8.517 0.000 . 1 . . . . . 44 ALA H . 27197 1 418 . 1 1 44 44 ALA HA H 1 3.970 0.000 . 1 . . . . . 44 ALA HA . 27197 1 419 . 1 1 44 44 ALA HB1 H 1 1.246 0.000 . 1 . . . . . 44 ALA HB1 . 27197 1 420 . 1 1 44 44 ALA HB2 H 1 1.246 0.000 . 1 . . . . . 44 ALA HB2 . 27197 1 421 . 1 1 44 44 ALA HB3 H 1 1.246 0.000 . 1 . . . . . 44 ALA HB3 . 27197 1 422 . 1 1 44 44 ALA C C 13 174.706 0.000 . 1 . . . . . 44 ALA C . 27197 1 423 . 1 1 44 44 ALA CA C 13 55.735 0.000 . 1 . . . . . 44 ALA CA . 27197 1 424 . 1 1 44 44 ALA CB C 13 19.003 0.000 . 1 . . . . . 44 ALA CB . 27197 1 425 . 1 1 44 44 ALA N N 15 120.592 0.000 . 1 . . . . . 44 ALA N . 27197 1 426 . 1 1 45 45 GLU H H 1 7.603 0.000 . 1 . . . . . 45 GLU H . 27197 1 427 . 1 1 45 45 GLU HA H 1 3.885 0.000 . 1 . . . . . 45 GLU HA . 27197 1 428 . 1 1 45 45 GLU HB2 H 1 2.298 0.000 . 2 . . . . . 45 GLU HB2 . 27197 1 429 . 1 1 45 45 GLU HB3 H 1 1.944 0.000 . 2 . . . . . 45 GLU HB3 . 27197 1 430 . 1 1 45 45 GLU HG2 H 1 2.234 0.000 . 2 . . . . . 45 GLU HG2 . 27197 1 431 . 1 1 45 45 GLU HG3 H 1 2.134 0.000 . 2 . . . . . 45 GLU HG3 . 27197 1 432 . 1 1 45 45 GLU C C 13 178.693 0.000 . 1 . . . . . 45 GLU C . 27197 1 433 . 1 1 45 45 GLU CA C 13 59.878 0.000 . 1 . . . . . 45 GLU CA . 27197 1 434 . 1 1 45 45 GLU CB C 13 30.080 0.000 . 1 . . . . . 45 GLU CB . 27197 1 435 . 1 1 45 45 GLU CG C 13 37.609 0.000 . 1 . . . . . 45 GLU CG . 27197 1 436 . 1 1 45 45 GLU N N 15 119.475 0.000 . 1 . . . . . 45 GLU N . 27197 1 437 . 1 1 46 46 ARG H H 1 8.563 0.000 . 1 . . . . . 46 ARG H . 27197 1 438 . 1 1 46 46 ARG HA H 1 4.068 0.000 . 1 . . . . . 46 ARG HA . 27197 1 439 . 1 1 46 46 ARG HB2 H 1 1.989 0.000 . 2 . . . . . 46 ARG HB2 . 27197 1 440 . 1 1 46 46 ARG HB3 H 1 1.920 0.000 . 2 . . . . . 46 ARG HB3 . 27197 1 441 . 1 1 46 46 ARG HG2 H 1 1.820 0.000 . 2 . . . . . 46 ARG HG2 . 27197 1 442 . 1 1 46 46 ARG HG3 H 1 1.751 0.000 . 2 . . . . . 46 ARG HG3 . 27197 1 443 . 1 1 46 46 ARG HD2 H 1 3.252 0.000 . 2 . . . . . 46 ARG HD2 . 27197 1 444 . 1 1 46 46 ARG HD3 H 1 3.202 0.000 . 2 . . . . . 46 ARG HD3 . 27197 1 445 . 1 1 46 46 ARG C C 13 175.027 0.000 . 1 . . . . . 46 ARG C . 27197 1 446 . 1 1 46 46 ARG CA C 13 59.375 0.000 . 1 . . . . . 46 ARG CA . 27197 1 447 . 1 1 46 46 ARG CB C 13 30.405 0.000 . 1 . . . . . 46 ARG CB . 27197 1 448 . 1 1 46 46 ARG CG C 13 27.977 0.000 . 1 . . . . . 46 ARG CG . 27197 1 449 . 1 1 46 46 ARG CD C 13 43.258 0.000 . 1 . . . . . 46 ARG CD . 27197 1 450 . 1 1 46 46 ARG N N 15 121.912 0.000 . 1 . . . . . 46 ARG N . 27197 1 451 . 1 1 47 47 GLY H H 1 7.810 0.000 . 1 . . . . . 47 GLY H . 27197 1 452 . 1 1 47 47 GLY HA2 H 1 4.340 0.000 . 2 . . . . . 47 GLY HA2 . 27197 1 453 . 1 1 47 47 GLY HA3 H 1 3.447 0.000 . 2 . . . . . 47 GLY HA3 . 27197 1 454 . 1 1 47 47 GLY C C 13 169.415 0.000 . 1 . . . . . 47 GLY C . 27197 1 455 . 1 1 47 47 GLY CA C 13 45.703 0.000 . 1 . . . . . 47 GLY CA . 27197 1 456 . 1 1 47 47 GLY N N 15 132.069 0.000 . 1 . . . . . 47 GLY N . 27197 1 457 . 1 1 48 48 ARG H H 1 7.670 0.000 . 1 . . . . . 48 ARG H . 27197 1 458 . 1 1 48 48 ARG HA H 1 3.894 0.000 . 1 . . . . . 48 ARG HA . 27197 1 459 . 1 1 48 48 ARG HB2 H 1 2.473 0.000 . 2 . . . . . 48 ARG HB2 . 27197 1 460 . 1 1 48 48 ARG HB3 H 1 1.999 0.000 . 2 . . . . . 48 ARG HB3 . 27197 1 461 . 1 1 48 48 ARG HG2 H 1 1.559 0.000 . 1 . . . . . 48 ARG HG2 . 27197 1 462 . 1 1 48 48 ARG HG3 H 1 1.559 0.000 . 1 . . . . . 48 ARG HG3 . 27197 1 463 . 1 1 48 48 ARG HD2 H 1 3.232 0.000 . 1 . . . . . 48 ARG HD2 . 27197 1 464 . 1 1 48 48 ARG HD3 H 1 3.232 0.000 . 1 . . . . . 48 ARG HD3 . 27197 1 465 . 1 1 48 48 ARG C C 13 173.332 0.000 . 1 . . . . . 48 ARG C . 27197 1 466 . 1 1 48 48 ARG CA C 13 58.073 0.000 . 1 . . . . . 48 ARG CA . 27197 1 467 . 1 1 48 48 ARG CB C 13 25.967 0.000 . 1 . . . . . 48 ARG CB . 27197 1 468 . 1 1 48 48 ARG CG C 13 28.095 0.000 . 1 . . . . . 48 ARG CG . 27197 1 469 . 1 1 48 48 ARG CD C 13 43.436 0.000 . 1 . . . . . 48 ARG CD . 27197 1 470 . 1 1 48 48 ARG N N 15 107.694 0.000 . 1 . . . . . 48 ARG N . 27197 1 471 . 1 1 49 49 LEU H H 1 7.504 0.000 . 1 . . . . . 49 LEU H . 27197 1 472 . 1 1 49 49 LEU HA H 1 4.322 0.000 . 1 . . . . . 49 LEU HA . 27197 1 473 . 1 1 49 49 LEU HB2 H 1 1.426 0.000 . 2 . . . . . 49 LEU HB2 . 27197 1 474 . 1 1 49 49 LEU HB3 H 1 1.109 0.000 . 2 . . . . . 49 LEU HB3 . 27197 1 475 . 1 1 49 49 LEU HG H 1 1.541 0.000 . 1 . . . . . 49 LEU HG . 27197 1 476 . 1 1 49 49 LEU HD11 H 1 0.800 0.000 . 1 . . . . . 49 LEU HD11 . 27197 1 477 . 1 1 49 49 LEU HD12 H 1 0.800 0.000 . 1 . . . . . 49 LEU HD12 . 27197 1 478 . 1 1 49 49 LEU HD13 H 1 0.800 0.000 . 1 . . . . . 49 LEU HD13 . 27197 1 479 . 1 1 49 49 LEU HD21 H 1 0.800 0.000 . 1 . . . . . 49 LEU HD21 . 27197 1 480 . 1 1 49 49 LEU HD22 H 1 0.800 0.000 . 1 . . . . . 49 LEU HD22 . 27197 1 481 . 1 1 49 49 LEU HD23 H 1 0.800 0.000 . 1 . . . . . 49 LEU HD23 . 27197 1 482 . 1 1 49 49 LEU C C 13 173.057 0.000 . 1 . . . . . 49 LEU C . 27197 1 483 . 1 1 49 49 LEU CA C 13 55.646 0.000 . 1 . . . . . 49 LEU CA . 27197 1 484 . 1 1 49 49 LEU CB C 13 43.810 0.000 . 1 . . . . . 49 LEU CB . 27197 1 485 . 1 1 49 49 LEU CG C 13 27.501 0.000 . 1 . . . . . 49 LEU CG . 27197 1 486 . 1 1 49 49 LEU CD1 C 13 26.312 0.000 . 1 . . . . . 49 LEU CD1 . 27197 1 487 . 1 1 49 49 LEU CD2 C 13 26.312 0.000 . 1 . . . . . 49 LEU CD2 . 27197 1 488 . 1 1 49 49 LEU N N 15 120.897 0.000 . 1 . . . . . 49 LEU N . 27197 1 489 . 1 1 50 50 ARG H H 1 9.280 0.000 . 1 . . . . . 50 ARG H . 27197 1 490 . 1 1 50 50 ARG HA H 1 4.453 0.000 . 1 . . . . . 50 ARG HA . 27197 1 491 . 1 1 50 50 ARG HB2 H 1 1.713 0.000 . 1 . . . . . 50 ARG HB2 . 27197 1 492 . 1 1 50 50 ARG HB3 H 1 1.713 0.000 . 1 . . . . . 50 ARG HB3 . 27197 1 493 . 1 1 50 50 ARG HG2 H 1 1.585 0.000 . 2 . . . . . 50 ARG HG2 . 27197 1 494 . 1 1 50 50 ARG HG3 H 1 1.454 0.000 . 2 . . . . . 50 ARG HG3 . 27197 1 495 . 1 1 50 50 ARG HD2 H 1 3.211 0.000 . 2 . . . . . 50 ARG HD2 . 27197 1 496 . 1 1 50 50 ARG HD3 H 1 3.046 0.000 . 2 . . . . . 50 ARG HD3 . 27197 1 497 . 1 1 50 50 ARG C C 13 171.842 0.000 . 1 . . . . . 50 ARG C . 27197 1 498 . 1 1 50 50 ARG CA C 13 54.729 0.000 . 1 . . . . . 50 ARG CA . 27197 1 499 . 1 1 50 50 ARG CB C 13 35.165 0.000 . 1 . . . . . 50 ARG CB . 27197 1 500 . 1 1 50 50 ARG CG C 13 28.192 0.000 . 1 . . . . . 50 ARG CG . 27197 1 501 . 1 1 50 50 ARG CD C 13 43.812 0.000 . 1 . . . . . 50 ARG CD . 27197 1 502 . 1 1 50 50 ARG N N 15 122.623 0.000 . 1 . . . . . 50 ARG N . 27197 1 503 . 1 1 51 51 ARG H H 1 8.408 0.000 . 1 . . . . . 51 ARG H . 27197 1 504 . 1 1 51 51 ARG HA H 1 3.470 0.000 . 1 . . . . . 51 ARG HA . 27197 1 505 . 1 1 51 51 ARG HB2 H 1 1.726 0.000 . 2 . . . . . 51 ARG HB2 . 27197 1 506 . 1 1 51 51 ARG HB3 H 1 1.615 0.000 . 2 . . . . . 51 ARG HB3 . 27197 1 507 . 1 1 51 51 ARG HG2 H 1 1.560 0.000 . 1 . . . . . 51 ARG HG2 . 27197 1 508 . 1 1 51 51 ARG HG3 H 1 1.560 0.000 . 1 . . . . . 51 ARG HG3 . 27197 1 509 . 1 1 51 51 ARG HD2 H 1 3.343 0.000 . 2 . . . . . 51 ARG HD2 . 27197 1 510 . 1 1 51 51 ARG HD3 H 1 3.228 0.000 . 2 . . . . . 51 ARG HD3 . 27197 1 511 . 1 1 51 51 ARG C C 13 173.744 0.000 . 1 . . . . . 51 ARG C . 27197 1 512 . 1 1 51 51 ARG CA C 13 58.312 0.000 . 1 . . . . . 51 ARG CA . 27197 1 513 . 1 1 51 51 ARG CB C 13 30.080 0.000 . 1 . . . . . 51 ARG CB . 27197 1 514 . 1 1 51 51 ARG CG C 13 27.263 0.001 . 1 . . . . . 51 ARG CG . 27197 1 515 . 1 1 51 51 ARG CD C 13 43.677 0.011 . 1 . . . . . 51 ARG CD . 27197 1 516 . 1 1 51 51 ARG N N 15 119.881 0.000 . 1 . . . . . 51 ARG N . 27197 1 517 . 1 1 52 52 ASP H H 1 8.829 0.000 . 1 . . . . . 52 ASP H . 27197 1 518 . 1 1 52 52 ASP HA H 1 4.217 0.000 . 1 . . . . . 52 ASP HA . 27197 1 519 . 1 1 52 52 ASP HB2 H 1 3.254 0.000 . 2 . . . . . 52 ASP HB2 . 27197 1 520 . 1 1 52 52 ASP HB3 H 1 2.901 0.000 . 2 . . . . . 52 ASP HB3 . 27197 1 521 . 1 1 52 52 ASP C C 13 172.094 0.000 . 1 . . . . . 52 ASP C . 27197 1 522 . 1 1 52 52 ASP CA C 13 57.747 0.000 . 1 . . . . . 52 ASP CA . 27197 1 523 . 1 1 52 52 ASP CB C 13 39.210 0.000 . 1 . . . . . 52 ASP CB . 27197 1 524 . 1 1 52 52 ASP N N 15 119.272 0.000 . 1 . . . . . 52 ASP N . 27197 1 525 . 1 1 53 53 ASP H H 1 7.972 0.000 . 1 . . . . . 53 ASP H . 27197 1 526 . 1 1 53 53 ASP HA H 1 4.697 0.000 . 1 . . . . . 53 ASP HA . 27197 1 527 . 1 1 53 53 ASP HB2 H 1 2.715 0.000 . 2 . . . . . 53 ASP HB2 . 27197 1 528 . 1 1 53 53 ASP HB3 H 1 2.182 0.000 . 2 . . . . . 53 ASP HB3 . 27197 1 529 . 1 1 53 53 ASP C C 13 172.679 0.000 . 1 . . . . . 53 ASP C . 27197 1 530 . 1 1 53 53 ASP CA C 13 56.208 0.000 . 1 . . . . . 53 ASP CA . 27197 1 531 . 1 1 53 53 ASP CB C 13 41.886 0.000 . 1 . . . . . 53 ASP CB . 27197 1 532 . 1 1 53 53 ASP N N 15 121.201 0.000 . 1 . . . . . 53 ASP N . 27197 1 533 . 1 1 54 54 ARG H H 1 8.598 0.000 . 1 . . . . . 54 ARG H . 27197 1 534 . 1 1 54 54 ARG HA H 1 5.214 0.000 . 1 . . . . . 54 ARG HA . 27197 1 535 . 1 1 54 54 ARG HB2 H 1 1.826 0.000 . 2 . . . . . 54 ARG HB2 . 27197 1 536 . 1 1 54 54 ARG HB3 H 1 1.652 0.000 . 2 . . . . . 54 ARG HB3 . 27197 1 537 . 1 1 54 54 ARG HG2 H 1 1.578 0.000 . 2 . . . . . 54 ARG HG2 . 27197 1 538 . 1 1 54 54 ARG HG3 H 1 1.321 0.000 . 2 . . . . . 54 ARG HG3 . 27197 1 539 . 1 1 54 54 ARG HD2 H 1 3.194 0.000 . 2 . . . . . 54 ARG HD2 . 27197 1 540 . 1 1 54 54 ARG HD3 H 1 3.056 0.000 . 2 . . . . . 54 ARG HD3 . 27197 1 541 . 1 1 54 54 ARG C C 13 173.378 0.000 . 1 . . . . . 54 ARG C . 27197 1 542 . 1 1 54 54 ARG CA C 13 54.581 0.000 . 1 . . . . . 54 ARG CA . 27197 1 543 . 1 1 54 54 ARG CB C 13 32.831 0.000 . 1 . . . . . 54 ARG CB . 27197 1 544 . 1 1 54 54 ARG CG C 13 28.036 0.000 . 1 . . . . . 54 ARG CG . 27197 1 545 . 1 1 54 54 ARG CD C 13 43.496 0.000 . 1 . . . . . 54 ARG CD . 27197 1 546 . 1 1 54 54 ARG N N 15 120.287 0.000 . 1 . . . . . 54 ARG N . 27197 1 547 . 1 1 55 55 ILE H H 1 9.453 0.000 . 1 . . . . . 55 ILE H . 27197 1 548 . 1 1 55 55 ILE HA H 1 4.314 0.000 . 1 . . . . . 55 ILE HA . 27197 1 549 . 1 1 55 55 ILE HB H 1 1.737 0.000 . 1 . . . . . 55 ILE HB . 27197 1 550 . 1 1 55 55 ILE HG12 H 1 0.719 0.000 . 1 . . . . . 55 ILE HG12 . 27197 1 551 . 1 1 55 55 ILE HG13 H 1 0.719 0.000 . 1 . . . . . 55 ILE HG13 . 27197 1 552 . 1 1 55 55 ILE HG21 H 1 0.811 0.000 . 1 . . . . . 55 ILE HG21 . 27197 1 553 . 1 1 55 55 ILE HG22 H 1 0.811 0.000 . 1 . . . . . 55 ILE HG22 . 27197 1 554 . 1 1 55 55 ILE HG23 H 1 0.811 0.000 . 1 . . . . . 55 ILE HG23 . 27197 1 555 . 1 1 55 55 ILE HD11 H 1 0.625 0.000 . 1 . . . . . 55 ILE HD11 . 27197 1 556 . 1 1 55 55 ILE HD12 H 1 0.625 0.000 . 1 . . . . . 55 ILE HD12 . 27197 1 557 . 1 1 55 55 ILE HD13 H 1 0.625 0.000 . 1 . . . . . 55 ILE HD13 . 27197 1 558 . 1 1 55 55 ILE C C 13 172.816 0.000 . 1 . . . . . 55 ILE C . 27197 1 559 . 1 1 55 55 ILE CA C 13 61.801 0.000 . 1 . . . . . 55 ILE CA . 27197 1 560 . 1 1 55 55 ILE CB C 13 39.312 0.000 . 1 . . . . . 55 ILE CB . 27197 1 561 . 1 1 55 55 ILE CG1 C 13 27.441 0.000 . 1 . . . . . 55 ILE CG1 . 27197 1 562 . 1 1 55 55 ILE CG2 C 13 17.809 0.000 . 1 . . . . . 55 ILE CG2 . 27197 1 563 . 1 1 55 55 ILE CD1 C 13 12.873 0.000 . 1 . . . . . 55 ILE CD1 . 27197 1 564 . 1 1 55 55 ILE N N 15 124.858 0.000 . 1 . . . . . 55 ILE N . 27197 1 565 . 1 1 56 56 LEU H H 1 8.813 0.000 . 1 . . . . . 56 LEU H . 27197 1 566 . 1 1 56 56 LEU HA H 1 4.514 0.000 . 1 . . . . . 56 LEU HA . 27197 1 567 . 1 1 56 56 LEU HB2 H 1 1.669 0.000 . 2 . . . . . 56 LEU HB2 . 27197 1 568 . 1 1 56 56 LEU HB3 H 1 1.414 0.000 . 2 . . . . . 56 LEU HB3 . 27197 1 569 . 1 1 56 56 LEU HG H 1 1.663 0.000 . 1 . . . . . 56 LEU HG . 27197 1 570 . 1 1 56 56 LEU HD11 H 1 0.816 0.000 . 2 . . . . . 56 LEU HD11 . 27197 1 571 . 1 1 56 56 LEU HD12 H 1 0.816 0.000 . 2 . . . . . 56 LEU HD12 . 27197 1 572 . 1 1 56 56 LEU HD13 H 1 0.816 0.000 . 2 . . . . . 56 LEU HD13 . 27197 1 573 . 1 1 56 56 LEU HD21 H 1 0.773 0.000 . 2 . . . . . 56 LEU HD21 . 27197 1 574 . 1 1 56 56 LEU HD22 H 1 0.773 0.000 . 2 . . . . . 56 LEU HD22 . 27197 1 575 . 1 1 56 56 LEU HD23 H 1 0.773 0.000 . 2 . . . . . 56 LEU HD23 . 27197 1 576 . 1 1 56 56 LEU C C 13 174.729 0.000 . 1 . . . . . 56 LEU C . 27197 1 577 . 1 1 56 56 LEU CA C 13 55.124 0.000 . 1 . . . . . 56 LEU CA . 27197 1 578 . 1 1 56 56 LEU CB C 13 44.666 0.000 . 1 . . . . . 56 LEU CB . 27197 1 579 . 1 1 56 56 LEU CG C 13 27.456 0.000 . 1 . . . . . 56 LEU CG . 27197 1 580 . 1 1 56 56 LEU CD1 C 13 25.787 0.000 . 2 . . . . . 56 LEU CD1 . 27197 1 581 . 1 1 56 56 LEU CD2 C 13 22.779 0.000 . 2 . . . . . 56 LEU CD2 . 27197 1 582 . 1 1 56 56 LEU N N 15 124.756 0.000 . 1 . . . . . 56 LEU N . 27197 1 583 . 1 1 57 57 GLU H H 1 7.477 0.000 . 1 . . . . . 57 GLU H . 27197 1 584 . 1 1 57 57 GLU HA H 1 5.174 0.000 . 1 . . . . . 57 GLU HA . 27197 1 585 . 1 1 57 57 GLU HB2 H 1 2.017 0.000 . 2 . . . . . 57 GLU HB2 . 27197 1 586 . 1 1 57 57 GLU HB3 H 1 1.829 0.000 . 2 . . . . . 57 GLU HB3 . 27197 1 587 . 1 1 57 57 GLU HG2 H 1 1.914 0.000 . 1 . . . . . 57 GLU HG2 . 27197 1 588 . 1 1 57 57 GLU HG3 H 1 1.914 0.000 . 1 . . . . . 57 GLU HG3 . 27197 1 589 . 1 1 57 57 GLU C C 13 171.762 0.000 . 1 . . . . . 57 GLU C . 27197 1 590 . 1 1 57 57 GLU CA C 13 55.558 0.000 . 1 . . . . . 57 GLU CA . 27197 1 591 . 1 1 57 57 GLU CB C 13 35.465 0.000 . 1 . . . . . 57 GLU CB . 27197 1 592 . 1 1 57 57 GLU CG C 13 36.658 0.000 . 1 . . . . . 57 GLU CG . 27197 1 593 . 1 1 57 57 GLU N N 15 120.084 0.000 . 1 . . . . . 57 GLU N . 27197 1 594 . 1 1 58 58 ILE H H 1 8.410 0.000 . 1 . . . . . 58 ILE H . 27197 1 595 . 1 1 58 58 ILE HA H 1 4.677 0.000 . 1 . . . . . 58 ILE HA . 27197 1 596 . 1 1 58 58 ILE HB H 1 1.501 0.000 . 1 . . . . . 58 ILE HB . 27197 1 597 . 1 1 58 58 ILE HG12 H 1 0.852 0.000 . 1 . . . . . 58 ILE HG12 . 27197 1 598 . 1 1 58 58 ILE HG13 H 1 0.852 0.000 . 1 . . . . . 58 ILE HG13 . 27197 1 599 . 1 1 58 58 ILE HG21 H 1 0.790 0.000 . 1 . . . . . 58 ILE HG21 . 27197 1 600 . 1 1 58 58 ILE HG22 H 1 0.790 0.000 . 1 . . . . . 58 ILE HG22 . 27197 1 601 . 1 1 58 58 ILE HG23 H 1 0.790 0.000 . 1 . . . . . 58 ILE HG23 . 27197 1 602 . 1 1 58 58 ILE HD11 H 1 0.702 0.000 . 1 . . . . . 58 ILE HD11 . 27197 1 603 . 1 1 58 58 ILE HD12 H 1 0.702 0.000 . 1 . . . . . 58 ILE HD12 . 27197 1 604 . 1 1 58 58 ILE HD13 H 1 0.702 0.000 . 1 . . . . . 58 ILE HD13 . 27197 1 605 . 1 1 58 58 ILE C C 13 171.682 0.000 . 1 . . . . . 58 ILE C . 27197 1 606 . 1 1 58 58 ILE CA C 13 60.618 0.000 . 1 . . . . . 58 ILE CA . 27197 1 607 . 1 1 58 58 ILE CB C 13 41.790 0.000 . 1 . . . . . 58 ILE CB . 27197 1 608 . 1 1 58 58 ILE CG1 C 13 27.560 0.000 . 1 . . . . . 58 ILE CG1 . 27197 1 609 . 1 1 58 58 ILE CG2 C 13 17.571 0.000 . 1 . . . . . 58 ILE CG2 . 27197 1 610 . 1 1 58 58 ILE CD1 C 13 13.825 0.000 . 1 . . . . . 58 ILE CD1 . 27197 1 611 . 1 1 58 58 ILE N N 15 122.405 0.000 . 1 . . . . . 58 ILE N . 27197 1 612 . 1 1 59 59 ASN H H 1 9.915 0.000 . 1 . . . . . 59 ASN H . 27197 1 613 . 1 1 59 59 ASN HA H 1 4.372 0.000 . 1 . . . . . 59 ASN HA . 27197 1 614 . 1 1 59 59 ASN HB2 H 1 3.162 0.000 . 2 . . . . . 59 ASN HB2 . 27197 1 615 . 1 1 59 59 ASN HB3 H 1 2.797 0.000 . 2 . . . . . 59 ASN HB3 . 27197 1 616 . 1 1 59 59 ASN C C 13 172.094 0.000 . 1 . . . . . 59 ASN C . 27197 1 617 . 1 1 59 59 ASN CA C 13 54.847 0.000 . 1 . . . . . 59 ASN CA . 27197 1 618 . 1 1 59 59 ASN CB C 13 36.490 0.000 . 1 . . . . . 59 ASN CB . 27197 1 619 . 1 1 59 59 ASN N N 15 129.834 0.000 . 1 . . . . . 59 ASN N . 27197 1 620 . 1 1 60 60 GLY H H 1 9.012 0.000 . 1 . . . . . 60 GLY H . 27197 1 621 . 1 1 60 60 GLY HA2 H 1 4.118 0.000 . 2 . . . . . 60 GLY HA2 . 27197 1 622 . 1 1 60 60 GLY HA3 H 1 3.609 0.000 . 2 . . . . . 60 GLY HA3 . 27197 1 623 . 1 1 60 60 GLY C C 13 170.744 0.000 . 1 . . . . . 60 GLY C . 27197 1 624 . 1 1 60 60 GLY CA C 13 45.438 0.000 . 1 . . . . . 60 GLY CA . 27197 1 625 . 1 1 60 60 GLY N N 15 129.225 0.000 . 1 . . . . . 60 GLY N . 27197 1 626 . 1 1 61 61 ILE H H 1 7.990 0.000 . 1 . . . . . 61 ILE H . 27197 1 627 . 1 1 61 61 ILE HA H 1 4.249 0.000 . 1 . . . . . 61 ILE HA . 27197 1 628 . 1 1 61 61 ILE HB H 1 2.133 0.000 . 1 . . . . . 61 ILE HB . 27197 1 629 . 1 1 61 61 ILE HG12 H 1 1.425 0.000 . 2 . . . . . 61 ILE HG12 . 27197 1 630 . 1 1 61 61 ILE HG13 H 1 1.347 0.000 . 2 . . . . . 61 ILE HG13 . 27197 1 631 . 1 1 61 61 ILE HG21 H 1 0.762 0.000 . 1 . . . . . 61 ILE HG21 . 27197 1 632 . 1 1 61 61 ILE HG22 H 1 0.762 0.000 . 1 . . . . . 61 ILE HG22 . 27197 1 633 . 1 1 61 61 ILE HG23 H 1 0.762 0.000 . 1 . . . . . 61 ILE HG23 . 27197 1 634 . 1 1 61 61 ILE HD11 H 1 0.785 0.000 . 1 . . . . . 61 ILE HD11 . 27197 1 635 . 1 1 61 61 ILE HD12 H 1 0.785 0.000 . 1 . . . . . 61 ILE HD12 . 27197 1 636 . 1 1 61 61 ILE HD13 H 1 0.785 0.000 . 1 . . . . . 61 ILE HD13 . 27197 1 637 . 1 1 61 61 ILE C C 13 172.931 0.000 . 1 . . . . . 61 ILE C . 27197 1 638 . 1 1 61 61 ILE CA C 13 58.875 0.000 . 1 . . . . . 61 ILE CA . 27197 1 639 . 1 1 61 61 ILE CB C 13 37.048 0.000 . 1 . . . . . 61 ILE CB . 27197 1 640 . 1 1 61 61 ILE CG1 C 13 26.786 0.002 . 1 . . . . . 61 ILE CG1 . 27197 1 641 . 1 1 61 61 ILE CG2 C 13 16.630 0.034 . 1 . . . . . 61 ILE CG2 . 27197 1 642 . 1 1 61 61 ILE CD1 C 13 10.480 0.000 . 1 . . . . . 61 ILE CD1 . 27197 1 643 . 1 1 61 61 ILE N N 15 122.826 0.000 . 1 . . . . . 61 ILE N . 27197 1 644 . 1 1 62 62 LYS H H 1 8.673 0.000 . 1 . . . . . 62 LYS H . 27197 1 645 . 1 1 62 62 LYS HA H 1 4.238 0.000 . 1 . . . . . 62 LYS HA . 27197 1 646 . 1 1 62 62 LYS HB2 H 1 1.886 0.000 . 2 . . . . . 62 LYS HB2 . 27197 1 647 . 1 1 62 62 LYS HB3 H 1 1.816 0.000 . 2 . . . . . 62 LYS HB3 . 27197 1 648 . 1 1 62 62 LYS HG2 H 1 1.442 0.000 . 1 . . . . . 62 LYS HG2 . 27197 1 649 . 1 1 62 62 LYS HG3 H 1 1.442 0.000 . 1 . . . . . 62 LYS HG3 . 27197 1 650 . 1 1 62 62 LYS HD2 H 1 1.696 0.000 . 1 . . . . . 62 LYS HD2 . 27197 1 651 . 1 1 62 62 LYS HD3 H 1 1.696 0.000 . 1 . . . . . 62 LYS HD3 . 27197 1 652 . 1 1 62 62 LYS HE2 H 1 3.011 0.000 . 1 . . . . . 62 LYS HE2 . 27197 1 653 . 1 1 62 62 LYS HE3 H 1 3.011 0.000 . 1 . . . . . 62 LYS HE3 . 27197 1 654 . 1 1 62 62 LYS C C 13 173.973 0.000 . 1 . . . . . 62 LYS C . 27197 1 655 . 1 1 62 62 LYS CA C 13 57.718 0.000 . 1 . . . . . 62 LYS CA . 27197 1 656 . 1 1 62 62 LYS CB C 13 33.056 0.000 . 1 . . . . . 62 LYS CB . 27197 1 657 . 1 1 62 62 LYS CG C 13 24.920 0.000 . 1 . . . . . 62 LYS CG . 27197 1 658 . 1 1 62 62 LYS CD C 13 29.578 0.000 . 1 . . . . . 62 LYS CD . 27197 1 659 . 1 1 62 62 LYS CE C 13 42.129 0.000 . 1 . . . . . 62 LYS CE . 27197 1 660 . 1 1 62 62 LYS N N 15 128.412 0.000 . 1 . . . . . 62 LYS N . 27197 1 661 . 1 1 63 63 LEU H H 1 8.153 0.000 . 1 . . . . . 63 LEU H . 27197 1 662 . 1 1 63 63 LEU HA H 1 4.351 0.000 . 1 . . . . . 63 LEU HA . 27197 1 663 . 1 1 63 63 LEU HB2 H 1 1.535 0.000 . 1 . . . . . 63 LEU HB2 . 27197 1 664 . 1 1 63 63 LEU HB3 H 1 1.535 0.000 . 1 . . . . . 63 LEU HB3 . 27197 1 665 . 1 1 63 63 LEU HG H 1 1.646 0.000 . 1 . . . . . 63 LEU HG . 27197 1 666 . 1 1 63 63 LEU HD11 H 1 0.820 0.000 . 2 . . . . . 63 LEU HD11 . 27197 1 667 . 1 1 63 63 LEU HD12 H 1 0.820 0.000 . 2 . . . . . 63 LEU HD12 . 27197 1 668 . 1 1 63 63 LEU HD13 H 1 0.820 0.000 . 2 . . . . . 63 LEU HD13 . 27197 1 669 . 1 1 63 63 LEU HD21 H 1 0.726 0.000 . 2 . . . . . 63 LEU HD21 . 27197 1 670 . 1 1 63 63 LEU HD22 H 1 0.726 0.000 . 2 . . . . . 63 LEU HD22 . 27197 1 671 . 1 1 63 63 LEU HD23 H 1 0.726 0.000 . 2 . . . . . 63 LEU HD23 . 27197 1 672 . 1 1 63 63 LEU C C 13 175.199 0.000 . 1 . . . . . 63 LEU C . 27197 1 673 . 1 1 63 63 LEU CA C 13 55.380 0.000 . 1 . . . . . 63 LEU CA . 27197 1 674 . 1 1 63 63 LEU CB C 13 42.508 0.000 . 1 . . . . . 63 LEU CB . 27197 1 675 . 1 1 63 63 LEU CG C 13 27.620 0.000 . 1 . . . . . 63 LEU CG . 27197 1 676 . 1 1 63 63 LEU CD1 C 13 25.717 0.000 . 2 . . . . . 63 LEU CD1 . 27197 1 677 . 1 1 63 63 LEU CD2 C 13 21.495 0.000 . 2 . . . . . 63 LEU CD2 . 27197 1 678 . 1 1 63 63 LEU N N 15 119.314 0.000 . 1 . . . . . 63 LEU N . 27197 1 679 . 1 1 64 64 ILE H H 1 7.635 0.000 . 1 . . . . . 64 ILE H . 27197 1 680 . 1 1 64 64 ILE HA H 1 3.930 0.000 . 1 . . . . . 64 ILE HA . 27197 1 681 . 1 1 64 64 ILE HB H 1 1.875 0.000 . 1 . . . . . 64 ILE HB . 27197 1 682 . 1 1 64 64 ILE HG12 H 1 1.582 0.000 . 2 . . . . . 64 ILE HG12 . 27197 1 683 . 1 1 64 64 ILE HG13 H 1 1.258 0.000 . 2 . . . . . 64 ILE HG13 . 27197 1 684 . 1 1 64 64 ILE HG21 H 1 0.942 0.000 . 1 . . . . . 64 ILE HG21 . 27197 1 685 . 1 1 64 64 ILE HG22 H 1 0.942 0.000 . 1 . . . . . 64 ILE HG22 . 27197 1 686 . 1 1 64 64 ILE HG23 H 1 0.942 0.000 . 1 . . . . . 64 ILE HG23 . 27197 1 687 . 1 1 64 64 ILE HD11 H 1 0.878 0.000 . 1 . . . . . 64 ILE HD11 . 27197 1 688 . 1 1 64 64 ILE HD12 H 1 0.878 0.000 . 1 . . . . . 64 ILE HD12 . 27197 1 689 . 1 1 64 64 ILE HD13 H 1 0.878 0.000 . 1 . . . . . 64 ILE HD13 . 27197 1 690 . 1 1 64 64 ILE C C 13 173.664 0.000 . 1 . . . . . 64 ILE C . 27197 1 691 . 1 1 64 64 ILE CA C 13 62.431 0.000 . 1 . . . . . 64 ILE CA . 27197 1 692 . 1 1 64 64 ILE CB C 13 37.397 0.000 . 1 . . . . . 64 ILE CB . 27197 1 693 . 1 1 64 64 ILE CG1 C 13 28.401 0.000 . 1 . . . . . 64 ILE CG1 . 27197 1 694 . 1 1 64 64 ILE CG2 C 13 17.174 0.000 . 1 . . . . . 64 ILE CG2 . 27197 1 695 . 1 1 64 64 ILE CD1 C 13 12.642 0.000 . 1 . . . . . 64 ILE CD1 . 27197 1 696 . 1 1 64 64 ILE N N 15 120.084 0.000 . 1 . . . . . 64 ILE N . 27197 1 697 . 1 1 65 65 GLY H H 1 8.856 0.000 . 1 . . . . . 65 GLY H . 27197 1 698 . 1 1 65 65 GLY HA2 H 1 4.250 0.000 . 2 . . . . . 65 GLY HA2 . 27197 1 699 . 1 1 65 65 GLY HA3 H 1 3.723 0.000 . 2 . . . . . 65 GLY HA3 . 27197 1 700 . 1 1 65 65 GLY C C 13 171.546 0.000 . 1 . . . . . 65 GLY C . 27197 1 701 . 1 1 65 65 GLY CA C 13 45.438 0.000 . 1 . . . . . 65 GLY CA . 27197 1 702 . 1 1 65 65 GLY N N 15 115.514 0.000 . 1 . . . . . 65 GLY N . 27197 1 703 . 1 1 66 66 LEU H H 1 7.427 0.000 . 1 . . . . . 66 LEU H . 27197 1 704 . 1 1 66 66 LEU HA H 1 4.674 0.000 . 1 . . . . . 66 LEU HA . 27197 1 705 . 1 1 66 66 LEU HB2 H 1 1.925 0.000 . 1 . . . . . 66 LEU HB2 . 27197 1 706 . 1 1 66 66 LEU HB3 H 1 1.925 0.000 . 1 . . . . . 66 LEU HB3 . 27197 1 707 . 1 1 66 66 LEU HD11 H 1 0.805 0.000 . 2 . . . . . 66 LEU HD11 . 27197 1 708 . 1 1 66 66 LEU HD12 H 1 0.805 0.000 . 2 . . . . . 66 LEU HD12 . 27197 1 709 . 1 1 66 66 LEU HD13 H 1 0.805 0.000 . 2 . . . . . 66 LEU HD13 . 27197 1 710 . 1 1 66 66 LEU HD21 H 1 0.768 0.000 . 2 . . . . . 66 LEU HD21 . 27197 1 711 . 1 1 66 66 LEU HD22 H 1 0.768 0.000 . 2 . . . . . 66 LEU HD22 . 27197 1 712 . 1 1 66 66 LEU HD23 H 1 0.768 0.000 . 2 . . . . . 66 LEU HD23 . 27197 1 713 . 1 1 66 66 LEU C C 13 175.520 0.000 . 1 . . . . . 66 LEU C . 27197 1 714 . 1 1 66 66 LEU CA C 13 54.611 0.000 . 1 . . . . . 66 LEU CA . 27197 1 715 . 1 1 66 66 LEU CB C 13 42.744 0.000 . 1 . . . . . 66 LEU CB . 27197 1 716 . 1 1 66 66 LEU CD1 C 13 25.955 0.000 . 2 . . . . . 66 LEU CD1 . 27197 1 717 . 1 1 66 66 LEU CD2 C 13 22.544 0.000 . 2 . . . . . 66 LEU CD2 . 27197 1 718 . 1 1 66 66 LEU N N 15 120.389 0.000 . 1 . . . . . 66 LEU N . 27197 1 719 . 1 1 67 67 THR H H 1 8.840 0.000 . 1 . . . . . 67 THR H . 27197 1 720 . 1 1 67 67 THR HA H 1 4.499 0.158 . 1 . . . . . 67 THR HA . 27197 1 721 . 1 1 67 67 THR HB H 1 4.773 0.000 . 1 . . . . . 67 THR HB . 27197 1 722 . 1 1 67 67 THR HG21 H 1 6.446 8.833 . 1 . . . . . 67 THR HG21 . 27197 1 723 . 1 1 67 67 THR HG22 H 1 6.446 8.833 . 1 . . . . . 67 THR HG22 . 27197 1 724 . 1 1 67 67 THR HG23 H 1 6.446 8.833 . 1 . . . . . 67 THR HG23 . 27197 1 725 . 1 1 67 67 THR C C 13 172.415 0.000 . 1 . . . . . 67 THR C . 27197 1 726 . 1 1 67 67 THR CA C 13 61.268 0.110 . 1 . . . . . 67 THR CA . 27197 1 727 . 1 1 67 67 THR CB C 13 71.140 0.030 . 1 . . . . . 67 THR CB . 27197 1 728 . 1 1 67 67 THR CG2 C 13 21.771 0.019 . 1 . . . . . 67 THR CG2 . 27197 1 729 . 1 1 67 67 THR N N 15 112.670 0.000 . 1 . . . . . 67 THR N . 27197 1 730 . 1 1 68 68 GLU H H 1 9.128 0.000 . 1 . . . . . 68 GLU H . 27197 1 731 . 1 1 68 68 GLU HA H 1 3.956 0.000 . 1 . . . . . 68 GLU HA . 27197 1 732 . 1 1 68 68 GLU HB2 H 1 2.104 0.000 . 1 . . . . . 68 GLU HB2 . 27197 1 733 . 1 1 68 68 GLU HB3 H 1 2.104 0.000 . 1 . . . . . 68 GLU HB3 . 27197 1 734 . 1 1 68 68 GLU HG2 H 1 2.400 0.000 . 2 . . . . . 68 GLU HG2 . 27197 1 735 . 1 1 68 68 GLU HG3 H 1 2.290 0.000 . 2 . . . . . 68 GLU HG3 . 27197 1 736 . 1 1 68 68 GLU C C 13 176.367 0.000 . 1 . . . . . 68 GLU C . 27197 1 737 . 1 1 68 68 GLU CA C 13 60.827 0.000 . 1 . . . . . 68 GLU CA . 27197 1 738 . 1 1 68 68 GLU CB C 13 29.517 0.000 . 1 . . . . . 68 GLU CB . 27197 1 739 . 1 1 68 68 GLU CG C 13 36.839 0.000 . 1 . . . . . 68 GLU CG . 27197 1 740 . 1 1 68 68 GLU N N 15 120.998 0.000 . 1 . . . . . 68 GLU N . 27197 1 741 . 1 1 69 69 SER H H 1 8.537 0.000 . 1 . . . . . 69 SER H . 27197 1 742 . 1 1 69 69 SER HA H 1 4.245 0.000 . 1 . . . . . 69 SER HA . 27197 1 743 . 1 1 69 69 SER HB2 H 1 3.870 0.000 . 1 . . . . . 69 SER HB2 . 27197 1 744 . 1 1 69 69 SER HB3 H 1 3.870 0.000 . 1 . . . . . 69 SER HB3 . 27197 1 745 . 1 1 69 69 SER C C 13 175.073 0.000 . 1 . . . . . 69 SER C . 27197 1 746 . 1 1 69 69 SER CA C 13 61.683 0.000 . 1 . . . . . 69 SER CA . 27197 1 747 . 1 1 69 69 SER CB C 13 62.570 0.000 . 1 . . . . . 69 SER CB . 27197 1 748 . 1 1 69 69 SER N N 15 113.280 0.000 . 1 . . . . . 69 SER N . 27197 1 749 . 1 1 70 70 GLN H H 1 7.702 0.000 . 1 . . . . . 70 GLN H . 27197 1 750 . 1 1 70 70 GLN HA H 1 4.127 0.000 . 1 . . . . . 70 GLN HA . 27197 1 751 . 1 1 70 70 GLN HB2 H 1 2.022 0.000 . 1 . . . . . 70 GLN HB2 . 27197 1 752 . 1 1 70 70 GLN HB3 H 1 2.022 0.000 . 1 . . . . . 70 GLN HB3 . 27197 1 753 . 1 1 70 70 GLN HG2 H 1 2.512 0.000 . 1 . . . . . 70 GLN HG2 . 27197 1 754 . 1 1 70 70 GLN HG3 H 1 2.512 0.000 . 1 . . . . . 70 GLN HG3 . 27197 1 755 . 1 1 70 70 GLN C C 13 177.020 0.000 . 1 . . . . . 70 GLN C . 27197 1 756 . 1 1 70 70 GLN CA C 13 58.918 0.000 . 1 . . . . . 70 GLN CA . 27197 1 757 . 1 1 70 70 GLN CB C 13 29.730 0.000 . 1 . . . . . 70 GLN CB . 27197 1 758 . 1 1 70 70 GLN CG C 13 35.052 0.000 . 1 . . . . . 70 GLN CG . 27197 1 759 . 1 1 70 70 GLN N N 15 123.131 0.000 . 1 . . . . . 70 GLN N . 27197 1 760 . 1 1 71 71 VAL H H 1 8.811 0.000 . 1 . . . . . 71 VAL H . 27197 1 761 . 1 1 71 71 VAL HA H 1 3.436 0.000 . 1 . . . . . 71 VAL HA . 27197 1 762 . 1 1 71 71 VAL HB H 1 2.258 0.000 . 1 . . . . . 71 VAL HB . 27197 1 763 . 1 1 71 71 VAL HG11 H 1 1.145 0.000 . 2 . . . . . 71 VAL HG11 . 27197 1 764 . 1 1 71 71 VAL HG12 H 1 1.145 0.000 . 2 . . . . . 71 VAL HG12 . 27197 1 765 . 1 1 71 71 VAL HG13 H 1 1.145 0.000 . 2 . . . . . 71 VAL HG13 . 27197 1 766 . 1 1 71 71 VAL HG21 H 1 0.901 0.000 . 2 . . . . . 71 VAL HG21 . 27197 1 767 . 1 1 71 71 VAL HG22 H 1 0.901 0.000 . 2 . . . . . 71 VAL HG22 . 27197 1 768 . 1 1 71 71 VAL HG23 H 1 0.901 0.000 . 2 . . . . . 71 VAL HG23 . 27197 1 769 . 1 1 71 71 VAL C C 13 174.752 0.000 . 1 . . . . . 71 VAL C . 27197 1 770 . 1 1 71 71 VAL CA C 13 67.883 0.000 . 1 . . . . . 71 VAL CA . 27197 1 771 . 1 1 71 71 VAL CB C 13 31.609 0.000 . 1 . . . . . 71 VAL CB . 27197 1 772 . 1 1 71 71 VAL CG1 C 13 24.984 0.000 . 2 . . . . . 71 VAL CG1 . 27197 1 773 . 1 1 71 71 VAL CG2 C 13 22.683 0.000 . 2 . . . . . 71 VAL CG2 . 27197 1 774 . 1 1 71 71 VAL N N 15 121.506 0.000 . 1 . . . . . 71 VAL N . 27197 1 775 . 1 1 72 72 GLN H H 1 7.952 0.000 . 1 . . . . . 72 GLN H . 27197 1 776 . 1 1 72 72 GLN HA H 1 3.976 0.000 . 1 . . . . . 72 GLN HA . 27197 1 777 . 1 1 72 72 GLN HB2 H 1 2.252 0.000 . 2 . . . . . 72 GLN HB2 . 27197 1 778 . 1 1 72 72 GLN HB3 H 1 2.171 0.000 . 2 . . . . . 72 GLN HB3 . 27197 1 779 . 1 1 72 72 GLN HG2 H 1 2.559 0.000 . 2 . . . . . 72 GLN HG2 . 27197 1 780 . 1 1 72 72 GLN HG3 H 1 2.443 0.000 . 2 . . . . . 72 GLN HG3 . 27197 1 781 . 1 1 72 72 GLN C C 13 176.196 0.000 . 1 . . . . . 72 GLN C . 27197 1 782 . 1 1 72 72 GLN CA C 13 59.375 0.000 . 1 . . . . . 72 GLN CA . 27197 1 783 . 1 1 72 72 GLN CB C 13 28.401 0.000 . 1 . . . . . 72 GLN CB . 27197 1 784 . 1 1 72 72 GLN CG C 13 33.910 0.000 . 1 . . . . . 72 GLN CG . 27197 1 785 . 1 1 72 72 GLN N N 15 117.748 0.000 . 1 . . . . . 72 GLN N . 27197 1 786 . 1 1 73 73 GLU H H 1 7.983 0.000 . 1 . . . . . 73 GLU H . 27197 1 787 . 1 1 73 73 GLU HA H 1 4.254 0.000 . 1 . . . . . 73 GLU HA . 27197 1 788 . 1 1 73 73 GLU HB2 H 1 2.192 0.000 . 2 . . . . . 73 GLU HB2 . 27197 1 789 . 1 1 73 73 GLU HB3 H 1 2.084 0.000 . 2 . . . . . 73 GLU HB3 . 27197 1 790 . 1 1 73 73 GLU HG2 H 1 2.340 0.000 . 2 . . . . . 73 GLU HG2 . 27197 1 791 . 1 1 73 73 GLU HG3 H 1 2.277 0.000 . 2 . . . . . 73 GLU HG3 . 27197 1 792 . 1 1 73 73 GLU C C 13 175.508 0.000 . 1 . . . . . 73 GLU C . 27197 1 793 . 1 1 73 73 GLU CA C 13 59.256 0.000 . 1 . . . . . 73 GLU CA . 27197 1 794 . 1 1 73 73 GLU CB C 13 29.378 0.000 . 1 . . . . . 73 GLU CB . 27197 1 795 . 1 1 73 73 GLU CG C 13 35.469 0.000 . 1 . . . . . 73 GLU CG . 27197 1 796 . 1 1 73 73 GLU N N 15 120.287 0.000 . 1 . . . . . 73 GLU N . 27197 1 797 . 1 1 74 74 GLN H H 1 7.991 0.000 . 1 . . . . . 74 GLN H . 27197 1 798 . 1 1 74 74 GLN HA H 1 4.088 0.000 . 1 . . . . . 74 GLN HA . 27197 1 799 . 1 1 74 74 GLN HB2 H 1 2.034 0.000 . 1 . . . . . 74 GLN HB2 . 27197 1 800 . 1 1 74 74 GLN HB3 H 1 2.034 0.000 . 1 . . . . . 74 GLN HB3 . 27197 1 801 . 1 1 74 74 GLN HG2 H 1 2.562 0.000 . 1 . . . . . 74 GLN HG2 . 27197 1 802 . 1 1 74 74 GLN HG3 H 1 2.562 0.000 . 1 . . . . . 74 GLN HG3 . 27197 1 803 . 1 1 74 74 GLN C C 13 176.104 0.000 . 1 . . . . . 74 GLN C . 27197 1 804 . 1 1 74 74 GLN CA C 13 58.044 0.000 . 1 . . . . . 74 GLN CA . 27197 1 805 . 1 1 74 74 GLN CB C 13 26.884 0.000 . 1 . . . . . 74 GLN CB . 27197 1 806 . 1 1 74 74 GLN CG C 13 32.615 0.000 . 1 . . . . . 74 GLN CG . 27197 1 807 . 1 1 74 74 GLN N N 15 118.307 0.000 . 1 . . . . . 74 GLN N . 27197 1 808 . 1 1 75 75 LEU H H 1 8.137 0.000 . 1 . . . . . 75 LEU H . 27197 1 809 . 1 1 75 75 LEU HA H 1 3.974 0.000 . 1 . . . . . 75 LEU HA . 27197 1 810 . 1 1 75 75 LEU HB2 H 1 2.037 0.000 . 2 . . . . . 75 LEU HB2 . 27197 1 811 . 1 1 75 75 LEU HB3 H 1 1.283 0.000 . 2 . . . . . 75 LEU HB3 . 27197 1 812 . 1 1 75 75 LEU HG H 1 1.646 0.000 . 1 . . . . . 75 LEU HG . 27197 1 813 . 1 1 75 75 LEU HD11 H 1 0.873 0.000 . 2 . . . . . 75 LEU HD11 . 27197 1 814 . 1 1 75 75 LEU HD12 H 1 0.873 0.000 . 2 . . . . . 75 LEU HD12 . 27197 1 815 . 1 1 75 75 LEU HD13 H 1 0.873 0.000 . 2 . . . . . 75 LEU HD13 . 27197 1 816 . 1 1 75 75 LEU HD21 H 1 0.737 0.000 . 2 . . . . . 75 LEU HD21 . 27197 1 817 . 1 1 75 75 LEU HD22 H 1 0.737 0.000 . 2 . . . . . 75 LEU HD22 . 27197 1 818 . 1 1 75 75 LEU HD23 H 1 0.737 0.000 . 2 . . . . . 75 LEU HD23 . 27197 1 819 . 1 1 75 75 LEU C C 13 174.111 0.000 . 1 . . . . . 75 LEU C . 27197 1 820 . 1 1 75 75 LEU CA C 13 58.753 0.000 . 1 . . . . . 75 LEU CA . 27197 1 821 . 1 1 75 75 LEU CB C 13 41.443 0.000 . 1 . . . . . 75 LEU CB . 27197 1 822 . 1 1 75 75 LEU CG C 13 27.025 0.000 . 1 . . . . . 75 LEU CG . 27197 1 823 . 1 1 75 75 LEU CD1 C 13 25.301 0.000 . 2 . . . . . 75 LEU CD1 . 27197 1 824 . 1 1 75 75 LEU CD2 C 13 22.090 0.000 . 2 . . . . . 75 LEU CD2 . 27197 1 825 . 1 1 75 75 LEU N N 15 120.795 0.000 . 1 . . . . . 75 LEU N . 27197 1 826 . 1 1 76 76 ARG H H 1 7.605 0.000 . 1 . . . . . 76 ARG H . 27197 1 827 . 1 1 76 76 ARG HA H 1 3.866 0.000 . 1 . . . . . 76 ARG HA . 27197 1 828 . 1 1 76 76 ARG HB2 H 1 1.959 0.000 . 1 . . . . . 76 ARG HB2 . 27197 1 829 . 1 1 76 76 ARG HB3 H 1 1.959 0.000 . 1 . . . . . 76 ARG HB3 . 27197 1 830 . 1 1 76 76 ARG HG2 H 1 1.768 0.000 . 2 . . . . . 76 ARG HG2 . 27197 1 831 . 1 1 76 76 ARG HG3 H 1 1.556 0.000 . 2 . . . . . 76 ARG HG3 . 27197 1 832 . 1 1 76 76 ARG HD2 H 1 3.275 0.000 . 2 . . . . . 76 ARG HD2 . 27197 1 833 . 1 1 76 76 ARG HD3 H 1 3.159 0.000 . 2 . . . . . 76 ARG HD3 . 27197 1 834 . 1 1 76 76 ARG C C 13 176.906 0.000 . 1 . . . . . 76 ARG C . 27197 1 835 . 1 1 76 76 ARG CA C 13 60.130 0.000 . 1 . . . . . 76 ARG CA . 27197 1 836 . 1 1 76 76 ARG CB C 13 29.866 0.000 . 1 . . . . . 76 ARG CB . 27197 1 837 . 1 1 76 76 ARG CG C 13 27.216 0.000 . 1 . . . . . 76 ARG CG . 27197 1 838 . 1 1 76 76 ARG CD C 13 43.115 0.000 . 1 . . . . . 76 ARG CD . 27197 1 839 . 1 1 76 76 ARG N N 15 118.053 0.000 . 1 . . . . . 76 ARG N . 27197 1 840 . 1 1 77 77 ARG H H 1 8.153 0.000 . 1 . . . . . 77 ARG H . 27197 1 841 . 1 1 77 77 ARG HA H 1 4.005 0.000 . 1 . . . . . 77 ARG HA . 27197 1 842 . 1 1 77 77 ARG HB2 H 1 1.884 0.000 . 1 . . . . . 77 ARG HB2 . 27197 1 843 . 1 1 77 77 ARG HB3 H 1 1.884 0.000 . 1 . . . . . 77 ARG HB3 . 27197 1 844 . 1 1 77 77 ARG HG2 H 1 1.654 0.000 . 1 . . . . . 77 ARG HG2 . 27197 1 845 . 1 1 77 77 ARG HG3 H 1 1.654 0.000 . 1 . . . . . 77 ARG HG3 . 27197 1 846 . 1 1 77 77 ARG HD2 H 1 3.157 0.000 . 1 . . . . . 77 ARG HD2 . 27197 1 847 . 1 1 77 77 ARG HD3 H 1 3.157 0.000 . 1 . . . . . 77 ARG HD3 . 27197 1 848 . 1 1 77 77 ARG C C 13 177.238 0.000 . 1 . . . . . 77 ARG C . 27197 1 849 . 1 1 77 77 ARG CA C 13 59.197 0.000 . 1 . . . . . 77 ARG CA . 27197 1 850 . 1 1 77 77 ARG CB C 13 30.434 0.000 . 1 . . . . . 77 ARG CB . 27197 1 851 . 1 1 77 77 ARG CG C 13 27.798 0.000 . 1 . . . . . 77 ARG CG . 27197 1 852 . 1 1 77 77 ARG CD C 13 43.377 0.000 . 1 . . . . . 77 ARG CD . 27197 1 853 . 1 1 77 77 ARG N N 15 117.037 0.000 . 1 . . . . . 77 ARG N . 27197 1 854 . 1 1 78 78 ALA H H 1 8.181 0.000 . 1 . . . . . 78 ALA H . 27197 1 855 . 1 1 78 78 ALA HA H 1 4.113 0.000 . 1 . . . . . 78 ALA HA . 27197 1 856 . 1 1 78 78 ALA HB1 H 1 1.456 0.000 . 1 . . . . . 78 ALA HB1 . 27197 1 857 . 1 1 78 78 ALA HB2 H 1 1.456 0.000 . 1 . . . . . 78 ALA HB2 . 27197 1 858 . 1 1 78 78 ALA HB3 H 1 1.456 0.000 . 1 . . . . . 78 ALA HB3 . 27197 1 859 . 1 1 78 78 ALA C C 13 177.181 0.000 . 1 . . . . . 78 ALA C . 27197 1 860 . 1 1 78 78 ALA CA C 13 55.202 0.000 . 1 . . . . . 78 ALA CA . 27197 1 861 . 1 1 78 78 ALA CB C 13 19.131 0.000 . 1 . . . . . 78 ALA CB . 27197 1 862 . 1 1 78 78 ALA N N 15 123.639 0.000 . 1 . . . . . 78 ALA N . 27197 1 863 . 1 1 79 79 LEU H H 1 7.956 0.000 . 1 . . . . . 79 LEU H . 27197 1 864 . 1 1 79 79 LEU HA H 1 4.122 0.000 . 1 . . . . . 79 LEU HA . 27197 1 865 . 1 1 79 79 LEU HB2 H 1 1.978 0.000 . 2 . . . . . 79 LEU HB2 . 27197 1 866 . 1 1 79 79 LEU HB3 H 1 1.687 0.000 . 2 . . . . . 79 LEU HB3 . 27197 1 867 . 1 1 79 79 LEU HG H 1 1.971 0.000 . 1 . . . . . 79 LEU HG . 27197 1 868 . 1 1 79 79 LEU HD11 H 1 0.900 0.000 . 2 . . . . . 79 LEU HD11 . 27197 1 869 . 1 1 79 79 LEU HD12 H 1 0.900 0.000 . 2 . . . . . 79 LEU HD12 . 27197 1 870 . 1 1 79 79 LEU HD13 H 1 0.900 0.000 . 2 . . . . . 79 LEU HD13 . 27197 1 871 . 1 1 79 79 LEU HD21 H 1 0.863 0.000 . 2 . . . . . 79 LEU HD21 . 27197 1 872 . 1 1 79 79 LEU HD22 H 1 0.863 0.000 . 2 . . . . . 79 LEU HD22 . 27197 1 873 . 1 1 79 79 LEU HD23 H 1 0.863 0.000 . 2 . . . . . 79 LEU HD23 . 27197 1 874 . 1 1 79 79 LEU C C 13 174.890 0.000 . 1 . . . . . 79 LEU C . 27197 1 875 . 1 1 79 79 LEU CA C 13 56.889 0.000 . 1 . . . . . 79 LEU CA . 27197 1 876 . 1 1 79 79 LEU CB C 13 41.354 0.000 . 1 . . . . . 79 LEU CB . 27197 1 877 . 1 1 79 79 LEU CG C 13 27.076 0.000 . 1 . . . . . 79 LEU CG . 27197 1 878 . 1 1 79 79 LEU CD1 C 13 25.717 0.000 . 2 . . . . . 79 LEU CD1 . 27197 1 879 . 1 1 79 79 LEU CD2 C 13 23.339 0.000 . 2 . . . . . 79 LEU CD2 . 27197 1 880 . 1 1 79 79 LEU N N 15 116.530 0.000 . 1 . . . . . 79 LEU N . 27197 1 881 . 1 1 80 80 GLU H H 1 7.376 0.000 . 1 . . . . . 80 GLU H . 27197 1 882 . 1 1 80 80 GLU HA H 1 4.313 0.000 . 1 . . . . . 80 GLU HA . 27197 1 883 . 1 1 80 80 GLU HB2 H 1 2.193 0.000 . 2 . . . . . 80 GLU HB2 . 27197 1 884 . 1 1 80 80 GLU HB3 H 1 2.090 0.000 . 2 . . . . . 80 GLU HB3 . 27197 1 885 . 1 1 80 80 GLU HG2 H 1 2.531 0.000 . 1 . . . . . 80 GLU HG2 . 27197 1 886 . 1 1 80 80 GLU HG3 H 1 2.531 0.000 . 1 . . . . . 80 GLU HG3 . 27197 1 887 . 1 1 80 80 GLU C C 13 174.328 0.000 . 1 . . . . . 80 GLU C . 27197 1 888 . 1 1 80 80 GLU CA C 13 56.978 0.000 . 1 . . . . . 80 GLU CA . 27197 1 889 . 1 1 80 80 GLU CB C 13 30.286 0.000 . 1 . . . . . 80 GLU CB . 27197 1 890 . 1 1 80 80 GLU CG C 13 36.717 0.000 . 1 . . . . . 80 GLU CG . 27197 1 891 . 1 1 80 80 GLU N N 15 116.225 0.000 . 1 . . . . . 80 GLU N . 27197 1 892 . 1 1 81 81 SER H H 1 7.619 0.000 . 1 . . . . . 81 SER H . 27197 1 893 . 1 1 81 81 SER HA H 1 4.712 0.000 . 1 . . . . . 81 SER HA . 27197 1 894 . 1 1 81 81 SER HB2 H 1 4.100 0.000 . 1 . . . . . 81 SER HB2 . 27197 1 895 . 1 1 81 81 SER HB3 H 1 4.100 0.000 . 1 . . . . . 81 SER HB3 . 27197 1 896 . 1 1 81 81 SER C C 13 171.453 0.000 . 1 . . . . . 81 SER C . 27197 1 897 . 1 1 81 81 SER CA C 13 58.576 0.155 . 1 . . . . . 81 SER CA . 27197 1 898 . 1 1 81 81 SER CB C 13 64.744 0.204 . 1 . . . . . 81 SER CB . 27197 1 899 . 1 1 81 81 SER N N 15 115.819 0.000 . 1 . . . . . 81 SER N . 27197 1 900 . 1 1 82 82 SER HA H 1 4.517 0.000 . 1 . . . . . 82 SER HA . 27197 1 901 . 1 1 82 82 SER HB2 H 1 4.102 0.000 . 2 . . . . . 82 SER HB2 . 27197 1 902 . 1 1 82 82 SER HB3 H 1 4.000 0.000 . 2 . . . . . 82 SER HB3 . 27197 1 903 . 1 1 82 82 SER C C 13 171.545 0.000 . 1 . . . . . 82 SER C . 27197 1 904 . 1 1 82 82 SER CA C 13 60.795 0.000 . 1 . . . . . 82 SER CA . 27197 1 905 . 1 1 82 82 SER CB C 13 63.754 0.000 . 1 . . . . . 82 SER CB . 27197 1 906 . 1 1 83 83 GLU H H 1 7.710 0.000 . 1 . . . . . 83 GLU H . 27197 1 907 . 1 1 83 83 GLU HA H 1 4.737 0.000 . 1 . . . . . 83 GLU HA . 27197 1 908 . 1 1 83 83 GLU HB2 H 1 1.913 0.000 . 2 . . . . . 83 GLU HB2 . 27197 1 909 . 1 1 83 83 GLU HB3 H 1 1.837 0.000 . 2 . . . . . 83 GLU HB3 . 27197 1 910 . 1 1 83 83 GLU HG2 H 1 2.092 0.000 . 1 . . . . . 83 GLU HG2 . 27197 1 911 . 1 1 83 83 GLU HG3 H 1 2.092 0.000 . 1 . . . . . 83 GLU HG3 . 27197 1 912 . 1 1 83 83 GLU C C 13 170.720 0.000 . 1 . . . . . 83 GLU C . 27197 1 913 . 1 1 83 83 GLU CA C 13 55.912 0.000 . 1 . . . . . 83 GLU CA . 27197 1 914 . 1 1 83 83 GLU CB C 13 32.655 0.000 . 1 . . . . . 83 GLU CB . 27197 1 915 . 1 1 83 83 GLU CG C 13 36.242 0.000 . 1 . . . . . 83 GLU CG . 27197 1 916 . 1 1 83 83 GLU N N 15 118.733 0.000 . 1 . . . . . 83 GLU N . 27197 1 917 . 1 1 84 84 LEU H H 1 9.022 0.000 . 1 . . . . . 84 LEU H . 27197 1 918 . 1 1 84 84 LEU HA H 1 4.942 0.000 . 1 . . . . . 84 LEU HA . 27197 1 919 . 1 1 84 84 LEU HB2 H 1 1.486 0.000 . 1 . . . . . 84 LEU HB2 . 27197 1 920 . 1 1 84 84 LEU HB3 H 1 1.486 0.000 . 1 . . . . . 84 LEU HB3 . 27197 1 921 . 1 1 84 84 LEU HD11 H 1 0.699 0.000 . 1 . . . . . 84 LEU HD11 . 27197 1 922 . 1 1 84 84 LEU HD12 H 1 0.699 0.000 . 1 . . . . . 84 LEU HD12 . 27197 1 923 . 1 1 84 84 LEU HD13 H 1 0.699 0.000 . 1 . . . . . 84 LEU HD13 . 27197 1 924 . 1 1 84 84 LEU HD21 H 1 0.699 0.000 . 1 . . . . . 84 LEU HD21 . 27197 1 925 . 1 1 84 84 LEU HD22 H 1 0.699 0.000 . 1 . . . . . 84 LEU HD22 . 27197 1 926 . 1 1 84 84 LEU HD23 H 1 0.699 0.000 . 1 . . . . . 84 LEU HD23 . 27197 1 927 . 1 1 84 84 LEU C C 13 171.568 0.000 . 1 . . . . . 84 LEU C . 27197 1 928 . 1 1 84 84 LEU CA C 13 54.051 0.070 . 1 . . . . . 84 LEU CA . 27197 1 929 . 1 1 84 84 LEU CB C 13 43.954 0.084 . 1 . . . . . 84 LEU CB . 27197 1 930 . 1 1 84 84 LEU CG C 13 27.693 0.049 . 1 . . . . . 84 LEU CG . 27197 1 931 . 1 1 84 84 LEU CD1 C 13 25.615 0.095 . 1 . . . . . 84 LEU CD1 . 27197 1 932 . 1 1 84 84 LEU CD2 C 13 25.615 0.095 . 1 . . . . . 84 LEU CD2 . 27197 1 933 . 1 1 84 84 LEU N N 15 123.944 0.000 . 1 . . . . . 84 LEU N . 27197 1 934 . 1 1 85 85 ARG H H 1 9.063 0.000 . 1 . . . . . 85 ARG H . 27197 1 935 . 1 1 85 85 ARG HA H 1 5.207 0.000 . 1 . . . . . 85 ARG HA . 27197 1 936 . 1 1 85 85 ARG HB2 H 1 1.752 0.000 . 1 . . . . . 85 ARG HB2 . 27197 1 937 . 1 1 85 85 ARG HB3 H 1 1.752 0.000 . 1 . . . . . 85 ARG HB3 . 27197 1 938 . 1 1 85 85 ARG HD2 H 1 3.107 0.000 . 1 . . . . . 85 ARG HD2 . 27197 1 939 . 1 1 85 85 ARG HD3 H 1 3.107 0.000 . 1 . . . . . 85 ARG HD3 . 27197 1 940 . 1 1 85 85 ARG C C 13 173.978 0.000 . 1 . . . . . 85 ARG C . 27197 1 941 . 1 1 85 85 ARG CA C 13 54.863 0.075 . 1 . . . . . 85 ARG CA . 27197 1 942 . 1 1 85 85 ARG CB C 13 31.097 0.021 . 1 . . . . . 85 ARG CB . 27197 1 943 . 1 1 85 85 ARG CG C 13 28.346 0.037 . 1 . . . . . 85 ARG CG . 27197 1 944 . 1 1 85 85 ARG CD C 13 43.440 0.059 . 1 . . . . . 85 ARG CD . 27197 1 945 . 1 1 85 85 ARG N N 15 125.873 0.000 . 1 . . . . . 85 ARG N . 27197 1 946 . 1 1 86 86 VAL H H 1 8.832 0.000 . 1 . . . . . 86 VAL H . 27197 1 947 . 1 1 86 86 VAL HA H 1 5.223 0.000 . 1 . . . . . 86 VAL HA . 27197 1 948 . 1 1 86 86 VAL HB H 1 2.005 0.000 . 1 . . . . . 86 VAL HB . 27197 1 949 . 1 1 86 86 VAL HG11 H 1 0.847 0.000 . 2 . . . . . 86 VAL HG11 . 27197 1 950 . 1 1 86 86 VAL HG12 H 1 0.847 0.000 . 2 . . . . . 86 VAL HG12 . 27197 1 951 . 1 1 86 86 VAL HG13 H 1 0.847 0.000 . 2 . . . . . 86 VAL HG13 . 27197 1 952 . 1 1 86 86 VAL HG21 H 1 0.809 0.000 . 2 . . . . . 86 VAL HG21 . 27197 1 953 . 1 1 86 86 VAL HG22 H 1 0.809 0.000 . 2 . . . . . 86 VAL HG22 . 27197 1 954 . 1 1 86 86 VAL HG23 H 1 0.809 0.000 . 2 . . . . . 86 VAL HG23 . 27197 1 955 . 1 1 86 86 VAL C C 13 170.634 0.000 . 1 . . . . . 86 VAL C . 27197 1 956 . 1 1 86 86 VAL CA C 13 58.397 0.000 . 1 . . . . . 86 VAL CA . 27197 1 957 . 1 1 86 86 VAL CB C 13 35.240 0.000 . 1 . . . . . 86 VAL CB . 27197 1 958 . 1 1 86 86 VAL CG1 C 13 22.863 0.000 . 2 . . . . . 86 VAL CG1 . 27197 1 959 . 1 1 86 86 VAL CG2 C 13 20.187 0.000 . 2 . . . . . 86 VAL CG2 . 27197 1 960 . 1 1 86 86 VAL N N 15 119.526 0.000 . 1 . . . . . 86 VAL N . 27197 1 961 . 1 1 87 87 ARG H H 1 7.788 0.000 . 1 . . . . . 87 ARG H . 27197 1 962 . 1 1 87 87 ARG HA H 1 5.292 0.000 . 1 . . . . . 87 ARG HA . 27197 1 963 . 1 1 87 87 ARG HB2 H 1 1.718 0.000 . 2 . . . . . 87 ARG HB2 . 27197 1 964 . 1 1 87 87 ARG HB3 H 1 1.594 0.000 . 2 . . . . . 87 ARG HB3 . 27197 1 965 . 1 1 87 87 ARG HG2 H 1 1.446 0.000 . 2 . . . . . 87 ARG HG2 . 27197 1 966 . 1 1 87 87 ARG HG3 H 1 1.287 0.000 . 2 . . . . . 87 ARG HG3 . 27197 1 967 . 1 1 87 87 ARG HD2 H 1 3.227 0.000 . 2 . . . . . 87 ARG HD2 . 27197 1 968 . 1 1 87 87 ARG HD3 H 1 3.040 0.000 . 2 . . . . . 87 ARG HD3 . 27197 1 969 . 1 1 87 87 ARG C C 13 173.446 0.000 . 1 . . . . . 87 ARG C . 27197 1 970 . 1 1 87 87 ARG CA C 13 55.350 0.000 . 1 . . . . . 87 ARG CA . 27197 1 971 . 1 1 87 87 ARG CB C 13 33.956 0.000 . 1 . . . . . 87 ARG CB . 27197 1 972 . 1 1 87 87 ARG CG C 13 28.036 0.000 . 1 . . . . . 87 ARG CG . 27197 1 973 . 1 1 87 87 ARG CD C 13 43.080 0.000 . 1 . . . . . 87 ARG CD . 27197 1 974 . 1 1 87 87 ARG N N 15 124.248 0.000 . 1 . . . . . 87 ARG N . 27197 1 975 . 1 1 88 88 VAL H H 1 9.181 0.000 . 1 . . . . . 88 VAL H . 27197 1 976 . 1 1 88 88 VAL HA H 1 3.986 0.000 . 1 . . . . . 88 VAL HA . 27197 1 977 . 1 1 88 88 VAL HB H 1 1.757 0.000 . 1 . . . . . 88 VAL HB . 27197 1 978 . 1 1 88 88 VAL HG11 H 1 0.787 0.000 . 2 . . . . . 88 VAL HG11 . 27197 1 979 . 1 1 88 88 VAL HG12 H 1 0.787 0.000 . 2 . . . . . 88 VAL HG12 . 27197 1 980 . 1 1 88 88 VAL HG13 H 1 0.787 0.000 . 2 . . . . . 88 VAL HG13 . 27197 1 981 . 1 1 88 88 VAL HG21 H 1 0.767 0.000 . 2 . . . . . 88 VAL HG21 . 27197 1 982 . 1 1 88 88 VAL HG22 H 1 0.767 0.000 . 2 . . . . . 88 VAL HG22 . 27197 1 983 . 1 1 88 88 VAL HG23 H 1 0.767 0.000 . 2 . . . . . 88 VAL HG23 . 27197 1 984 . 1 1 88 88 VAL C C 13 172.060 0.000 . 1 . . . . . 88 VAL C . 27197 1 985 . 1 1 88 88 VAL CA C 13 58.990 0.000 . 1 . . . . . 88 VAL CA . 27197 1 986 . 1 1 88 88 VAL CB C 13 36.028 0.000 . 1 . . . . . 88 VAL CB . 27197 1 987 . 1 1 88 88 VAL CG1 C 13 21.852 0.000 . 2 . . . . . 88 VAL CG1 . 27197 1 988 . 1 1 88 88 VAL CG2 C 13 19.176 0.000 . 2 . . . . . 88 VAL CG2 . 27197 1 989 . 1 1 88 88 VAL N N 15 120.998 0.000 . 1 . . . . . 88 VAL N . 27197 1 990 . 1 1 89 89 LEU H H 1 8.892 0.000 . 1 . . . . . 89 LEU H . 27197 1 991 . 1 1 89 89 LEU HA H 1 4.786 0.000 . 1 . . . . . 89 LEU HA . 27197 1 992 . 1 1 89 89 LEU HB2 H 1 1.673 0.000 . 2 . . . . . 89 LEU HB2 . 27197 1 993 . 1 1 89 89 LEU HB3 H 1 1.421 0.000 . 2 . . . . . 89 LEU HB3 . 27197 1 994 . 1 1 89 89 LEU HG H 1 1.545 0.000 . 1 . . . . . 89 LEU HG . 27197 1 995 . 1 1 89 89 LEU HD11 H 1 0.884 0.000 . 2 . . . . . 89 LEU HD11 . 27197 1 996 . 1 1 89 89 LEU HD12 H 1 0.884 0.000 . 2 . . . . . 89 LEU HD12 . 27197 1 997 . 1 1 89 89 LEU HD13 H 1 0.884 0.000 . 2 . . . . . 89 LEU HD13 . 27197 1 998 . 1 1 89 89 LEU HD21 H 1 0.843 0.000 . 2 . . . . . 89 LEU HD21 . 27197 1 999 . 1 1 89 89 LEU HD22 H 1 0.843 0.000 . 2 . . . . . 89 LEU HD22 . 27197 1 1000 . 1 1 89 89 LEU HD23 H 1 0.843 0.000 . 2 . . . . . 89 LEU HD23 . 27197 1 1001 . 1 1 89 89 LEU C C 13 174.226 0.000 . 1 . . . . . 89 LEU C . 27197 1 1002 . 1 1 89 89 LEU CA C 13 53.604 0.000 . 1 . . . . . 89 LEU CA . 27197 1 1003 . 1 1 89 89 LEU CB C 13 44.402 0.000 . 1 . . . . . 89 LEU CB . 27197 1 1004 . 1 1 89 89 LEU CG C 13 27.146 0.000 . 1 . . . . . 89 LEU CG . 27197 1 1005 . 1 1 89 89 LEU CD1 C 13 25.124 0.000 . 2 . . . . . 89 LEU CD1 . 27197 1 1006 . 1 1 89 89 LEU CD2 C 13 23.938 0.000 . 2 . . . . . 89 LEU CD2 . 27197 1 1007 . 1 1 89 89 LEU N N 15 123.639 0.000 . 1 . . . . . 89 LEU N . 27197 1 1008 . 1 1 90 90 ARG H H 1 8.863 0.000 . 1 . . . . . 90 ARG H . 27197 1 1009 . 1 1 90 90 ARG HA H 1 4.490 0.000 . 1 . . . . . 90 ARG HA . 27197 1 1010 . 1 1 90 90 ARG HB2 H 1 1.963 0.000 . 2 . . . . . 90 ARG HB2 . 27197 1 1011 . 1 1 90 90 ARG HB3 H 1 1.905 0.000 . 2 . . . . . 90 ARG HB3 . 27197 1 1012 . 1 1 90 90 ARG HG2 H 1 1.751 0.000 . 1 . . . . . 90 ARG HG2 . 27197 1 1013 . 1 1 90 90 ARG HG3 H 1 1.751 0.000 . 1 . . . . . 90 ARG HG3 . 27197 1 1014 . 1 1 90 90 ARG HD2 H 1 3.131 0.000 . 2 . . . . . 90 ARG HD2 . 27197 1 1015 . 1 1 90 90 ARG HD3 H 1 3.015 0.000 . 2 . . . . . 90 ARG HD3 . 27197 1 1016 . 1 1 90 90 ARG C C 13 174.867 0.000 . 1 . . . . . 90 ARG C . 27197 1 1017 . 1 1 90 90 ARG CA C 13 55.055 0.136 . 1 . . . . . 90 ARG CA . 27197 1 1018 . 1 1 90 90 ARG CB C 13 31.604 0.068 . 1 . . . . . 90 ARG CB . 27197 1 1019 . 1 1 90 90 ARG CG C 13 26.146 0.050 . 1 . . . . . 90 ARG CG . 27197 1 1020 . 1 1 90 90 ARG CD C 13 43.883 0.172 . 1 . . . . . 90 ARG CD . 27197 1 1021 . 1 1 90 90 ARG N N 15 124.451 0.000 . 1 . . . . . 90 ARG N . 27197 1 1022 . 1 1 91 91 GLY H H 1 8.952 0.000 . 1 . . . . . 91 GLY H . 27197 1 1023 . 1 1 91 91 GLY HA2 H 1 4.077 0.000 . 2 . . . . . 91 GLY HA2 . 27197 1 1024 . 1 1 91 91 GLY HA3 H 1 3.693 0.000 . 2 . . . . . 91 GLY HA3 . 27197 1 1025 . 1 1 91 91 GLY C C 13 171.202 0.000 . 1 . . . . . 91 GLY C . 27197 1 1026 . 1 1 91 91 GLY CA C 13 46.000 0.000 . 1 . . . . . 91 GLY CA . 27197 1 1027 . 1 1 91 91 GLY N N 15 110.639 0.000 . 1 . . . . . 91 GLY N . 27197 1 1028 . 1 1 92 92 ASP H H 1 8.288 0.000 . 1 . . . . . 92 ASP H . 27197 1 1029 . 1 1 92 92 ASP HA H 1 4.618 0.000 . 1 . . . . . 92 ASP HA . 27197 1 1030 . 1 1 92 92 ASP HB2 H 1 2.642 0.000 . 2 . . . . . 92 ASP HB2 . 27197 1 1031 . 1 1 92 92 ASP HB3 H 1 2.658 0.000 . 2 . . . . . 92 ASP HB3 . 27197 1 1032 . 1 1 92 92 ASP C C 13 173.309 0.000 . 1 . . . . . 92 ASP C . 27197 1 1033 . 1 1 92 92 ASP CA C 13 54.433 0.000 . 1 . . . . . 92 ASP CA . 27197 1 1034 . 1 1 92 92 ASP CB C 13 41.502 0.000 . 1 . . . . . 92 ASP CB . 27197 1 1035 . 1 1 92 92 ASP N N 15 119.983 0.000 . 1 . . . . . 92 ASP N . 27197 1 1036 . 1 1 93 93 ARG H H 1 8.200 0.000 . 1 . . . . . 93 ARG H . 27197 1 1037 . 1 1 93 93 ARG HA H 1 4.334 0.000 . 1 . . . . . 93 ARG HA . 27197 1 1038 . 1 1 93 93 ARG HB2 H 1 1.915 0.000 . 2 . . . . . 93 ARG HB2 . 27197 1 1039 . 1 1 93 93 ARG HB3 H 1 1.771 0.000 . 2 . . . . . 93 ARG HB3 . 27197 1 1040 . 1 1 93 93 ARG HG2 H 1 1.634 0.000 . 1 . . . . . 93 ARG HG2 . 27197 1 1041 . 1 1 93 93 ARG HG3 H 1 1.634 0.000 . 1 . . . . . 93 ARG HG3 . 27197 1 1042 . 1 1 93 93 ARG HD2 H 1 3.192 0.000 . 1 . . . . . 93 ARG HD2 . 27197 1 1043 . 1 1 93 93 ARG HD3 H 1 3.192 0.000 . 1 . . . . . 93 ARG HD3 . 27197 1 1044 . 1 1 93 93 ARG C C 13 172.518 0.000 . 1 . . . . . 93 ARG C . 27197 1 1045 . 1 1 93 93 ARG CA C 13 56.149 0.000 . 1 . . . . . 93 ARG CA . 27197 1 1046 . 1 1 93 93 ARG CB C 13 30.850 0.000 . 1 . . . . . 93 ARG CB . 27197 1 1047 . 1 1 93 93 ARG CG C 13 27.025 0.000 . 1 . . . . . 93 ARG CG . 27197 1 1048 . 1 1 93 93 ARG CD C 13 43.139 0.000 . 1 . . . . . 93 ARG CD . 27197 1 1049 . 1 1 93 93 ARG N N 15 120.897 0.000 . 1 . . . . . 93 ARG N . 27197 1 1050 . 1 1 94 94 ASN H H 1 8.077 0.000 . 1 . . . . . 94 ASN H . 27197 1 1051 . 1 1 94 94 ASN HA H 1 4.465 0.000 . 1 . . . . . 94 ASN HA . 27197 1 1052 . 1 1 94 94 ASN HB2 H 1 2.752 0.000 . 2 . . . . . 94 ASN HB2 . 27197 1 1053 . 1 1 94 94 ASN HB3 H 1 2.657 0.000 . 2 . . . . . 94 ASN HB3 . 27197 1 1054 . 1 1 94 94 ASN CA C 13 55.039 0.164 . 1 . . . . . 94 ASN CA . 27197 1 1055 . 1 1 94 94 ASN CB C 13 40.542 0.154 . 1 . . . . . 94 ASN CB . 27197 1 1056 . 1 1 94 94 ASN N N 15 126.026 0.000 . 1 . . . . . 94 ASN N . 27197 1 stop_ save_