data_27093 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27093 _Entry.Title ; Chemical shift assignment of human MOZART1 protein (mitotic-spindle organizing protein associated with a ring of gamma-tubulin 1) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-05-04 _Entry.Accession_date 2017-05-04 _Entry.Last_release_date 2017-05-04 _Entry.Original_release_date 2017-05-04 _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 Cyprian Cukier . D. . . 27093 2 Virginie Gervais . . . . 27093 3 Alain Milon . . . . 27093 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 27093 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Insitute of Pharmacology and Structural Biology' . 27093 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27093 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 298 27093 '15N chemical shifts' 77 27093 '1H chemical shifts' 471 27093 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2017-11-03 2017-05-04 update BMRB 'update entry citation' 27093 1 . . 2017-09-15 2017-05-04 original author 'original release' 27093 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 27093 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28851027 _Citation.Full_citation . _Citation.Title ; NMR secondary structure and interactions of recombinant human MOZART1 protein, a component of the gamma-tubulin complex ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full 'Protein science : a publication of the Protein Society' _Citation.Journal_volume 26 _Citation.Journal_issue 11 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1469-896X _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 2240 _Citation.Page_last 2248 _Citation.Year 2017 _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 Cyprian Cukier C. D. . . 27093 1 2 Audrey Tourdes A. . . . 27093 1 3 Dounia El-Mazouni D. . . . 27093 1 4 Valerie Guillet V. . . . 27093 1 5 Julian Nomme J. . . . 27093 1 6 Lionel Mourey L. . . . 27093 1 7 Alain Milon A. . . . 27093 1 8 Andreas Merdes A. . . . 27093 1 9 Virginie Gervais V. . . . 27093 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27093 _Assembly.ID 1 _Assembly.Name MOZART1 _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 8760 _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 MOZART1 1 $MOZART1 A . yes native no no 1 . . 27093 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MOZART1 _Entity.Sf_category entity _Entity.Sf_framecode MOZART1 _Entity.Entry_ID 27093 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MOZART1 _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 ; GSHMASSSGAGAAAAAAAAN LNAVRETMDVLLEISRILNT GLDMETLSICVRLCEQGINP EALSSVIKELRKATEALKAA ENMTS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; N-terminal GSH residues are the result of clonic procedure. This is a full-length MOZART1 protein. ; _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 85 _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 8760 _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 1 yes UNP Q08AG7 . 'Mitotic-spindle organizing protein 1' . . . . . . . . . . . . . . 27093 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'regulation of gamma-tubulin ring complexes' 27093 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 -2 GLY . 27093 1 2 -1 SER . 27093 1 3 0 HIS . 27093 1 4 1 MET . 27093 1 5 2 ALA . 27093 1 6 3 SER . 27093 1 7 4 SER . 27093 1 8 5 SER . 27093 1 9 6 GLY . 27093 1 10 7 ALA . 27093 1 11 8 GLY . 27093 1 12 9 ALA . 27093 1 13 10 ALA . 27093 1 14 11 ALA . 27093 1 15 12 ALA . 27093 1 16 13 ALA . 27093 1 17 14 ALA . 27093 1 18 15 ALA . 27093 1 19 16 ALA . 27093 1 20 17 ASN . 27093 1 21 18 LEU . 27093 1 22 19 ASN . 27093 1 23 20 ALA . 27093 1 24 21 VAL . 27093 1 25 22 ARG . 27093 1 26 23 GLU . 27093 1 27 24 THR . 27093 1 28 25 MET . 27093 1 29 26 ASP . 27093 1 30 27 VAL . 27093 1 31 28 LEU . 27093 1 32 29 LEU . 27093 1 33 30 GLU . 27093 1 34 31 ILE . 27093 1 35 32 SER . 27093 1 36 33 ARG . 27093 1 37 34 ILE . 27093 1 38 35 LEU . 27093 1 39 36 ASN . 27093 1 40 37 THR . 27093 1 41 38 GLY . 27093 1 42 39 LEU . 27093 1 43 40 ASP . 27093 1 44 41 MET . 27093 1 45 42 GLU . 27093 1 46 43 THR . 27093 1 47 44 LEU . 27093 1 48 45 SER . 27093 1 49 46 ILE . 27093 1 50 47 CYS . 27093 1 51 48 VAL . 27093 1 52 49 ARG . 27093 1 53 50 LEU . 27093 1 54 51 CYS . 27093 1 55 52 GLU . 27093 1 56 53 GLN . 27093 1 57 54 GLY . 27093 1 58 55 ILE . 27093 1 59 56 ASN . 27093 1 60 57 PRO . 27093 1 61 58 GLU . 27093 1 62 59 ALA . 27093 1 63 60 LEU . 27093 1 64 61 SER . 27093 1 65 62 SER . 27093 1 66 63 VAL . 27093 1 67 64 ILE . 27093 1 68 65 LYS . 27093 1 69 66 GLU . 27093 1 70 67 LEU . 27093 1 71 68 ARG . 27093 1 72 69 LYS . 27093 1 73 70 ALA . 27093 1 74 71 THR . 27093 1 75 72 GLU . 27093 1 76 73 ALA . 27093 1 77 74 LEU . 27093 1 78 75 LYS . 27093 1 79 76 ALA . 27093 1 80 77 ALA . 27093 1 81 78 GLU . 27093 1 82 79 ASN . 27093 1 83 80 MET . 27093 1 84 81 THR . 27093 1 85 82 SER . 27093 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 27093 1 . SER 2 2 27093 1 . HIS 3 3 27093 1 . MET 4 4 27093 1 . ALA 5 5 27093 1 . SER 6 6 27093 1 . SER 7 7 27093 1 . SER 8 8 27093 1 . GLY 9 9 27093 1 . ALA 10 10 27093 1 . GLY 11 11 27093 1 . ALA 12 12 27093 1 . ALA 13 13 27093 1 . ALA 14 14 27093 1 . ALA 15 15 27093 1 . ALA 16 16 27093 1 . ALA 17 17 27093 1 . ALA 18 18 27093 1 . ALA 19 19 27093 1 . ASN 20 20 27093 1 . LEU 21 21 27093 1 . ASN 22 22 27093 1 . ALA 23 23 27093 1 . VAL 24 24 27093 1 . ARG 25 25 27093 1 . GLU 26 26 27093 1 . THR 27 27 27093 1 . MET 28 28 27093 1 . ASP 29 29 27093 1 . VAL 30 30 27093 1 . LEU 31 31 27093 1 . LEU 32 32 27093 1 . GLU 33 33 27093 1 . ILE 34 34 27093 1 . SER 35 35 27093 1 . ARG 36 36 27093 1 . ILE 37 37 27093 1 . LEU 38 38 27093 1 . ASN 39 39 27093 1 . THR 40 40 27093 1 . GLY 41 41 27093 1 . LEU 42 42 27093 1 . ASP 43 43 27093 1 . MET 44 44 27093 1 . GLU 45 45 27093 1 . THR 46 46 27093 1 . LEU 47 47 27093 1 . SER 48 48 27093 1 . ILE 49 49 27093 1 . CYS 50 50 27093 1 . VAL 51 51 27093 1 . ARG 52 52 27093 1 . LEU 53 53 27093 1 . CYS 54 54 27093 1 . GLU 55 55 27093 1 . GLN 56 56 27093 1 . GLY 57 57 27093 1 . ILE 58 58 27093 1 . ASN 59 59 27093 1 . PRO 60 60 27093 1 . GLU 61 61 27093 1 . ALA 62 62 27093 1 . LEU 63 63 27093 1 . SER 64 64 27093 1 . SER 65 65 27093 1 . VAL 66 66 27093 1 . ILE 67 67 27093 1 . LYS 68 68 27093 1 . GLU 69 69 27093 1 . LEU 70 70 27093 1 . ARG 71 71 27093 1 . LYS 72 72 27093 1 . ALA 73 73 27093 1 . THR 74 74 27093 1 . GLU 75 75 27093 1 . ALA 76 76 27093 1 . LEU 77 77 27093 1 . LYS 78 78 27093 1 . ALA 79 79 27093 1 . ALA 80 80 27093 1 . GLU 81 81 27093 1 . ASN 82 82 27093 1 . MET 83 83 27093 1 . THR 84 84 27093 1 . SER 85 85 27093 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 27093 _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 $MOZART1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . MOZART1/MZT1 . 27093 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 27093 _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 $MOZART1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . pET28a . . . 27093 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27093 _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 MOZART1 '[U-99% 13C; U-99% 15N]' . . 1 $MOZART1 . . 0.55 0.45 0.70 mM . . . . 27093 1 2 'sodium phosphate pH 6.0' 'natural abundance' . . . . . . 10 . . mM . . . . 27093 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27093 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 27093 1 5 sulfobetaine-12 'natural abundance' . . . . . . 30-50 . . mM . . . . 27093 1 6 DSS 'natural abundance' . . . . . . 10 . . uM . . . . 27093 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27093 _Sample.ID 2 _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 MOZART1 '[U-99% 13C; U-99% 15N]' . . 1 $MOZART1 . . 0.56 . . mM . . . . 27093 2 2 'sodium phosphate pH 6.0' 'natural abundance' . . . . . . 10 . . mM . . . . 27093 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27093 2 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 27093 2 5 sulfobetaine-12 'd25 (25 protons substituted by deuters)' . . . . . . 50 . . mM . . . . 27093 2 6 DSS 'natural abundance' . . . . . . 10 . . uM . . . . 27093 2 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 27093 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6 . pH 27093 1 pressure 1 . atm 27093 1 temperature 310 . K 27093 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27093 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27093 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27093 1 processing 27093 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27093 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27093 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27093 2 'data analysis' 27093 2 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 27093 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 27093 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 27093 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 27093 1 2 spectrometer_2 Bruker Avance . 950 . . . 27093 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 27093 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27093 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27093 1 3 '3D BEST-HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27093 1 4 '3D BEST-HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27093 1 5 '3D BEST-HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27093 1 6 '3D BEST-HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27093 1 7 '3D HC(C)H-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27093 1 8 '3D (H)CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27093 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27093 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27093 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27093 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27093 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27093 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 27093 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27093 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27093 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27093 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 27093 _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' . . . 27093 1 2 '3D HNCA' . . . 27093 1 3 '3D BEST-HN(CO)CACB' . . . 27093 1 4 '3D BEST-HNCACB' . . . 27093 1 5 '3D BEST-HNCO' . . . 27093 1 6 '3D BEST-HN(CA)CO' . . . 27093 1 7 '3D HC(C)H-TOCSY' . . . 27093 1 8 '3D (H)CCH-TOCSY' . . . 27093 1 9 '3D 1H-15N TOCSY' . . . 27093 1 10 '3D 1H-15N NOESY' . . . 27093 1 11 '3D 1H-13C NOESY' . . . 27093 1 12 '3D 1H-15N NOESY' . . . 27093 1 13 '3D 1H-13C NOESY' . . . 27093 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 2 $SPARKY . . 27093 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 3 3 HIS HA H 1 4.63 0.01 . 1 . . . . . 0 HIS HA . 27093 1 2 . 1 1 3 3 HIS HB2 H 1 3.14 0.01 . 2 . . . . . 0 HIS HB2 . 27093 1 3 . 1 1 3 3 HIS HB3 H 1 3.09 0.01 . 2 . . . . . 0 HIS HB3 . 27093 1 4 . 1 1 3 3 HIS CA C 13 56.45 0.05 . 1 . . . . . 0 HIS CA . 27093 1 5 . 1 1 3 3 HIS CB C 13 30.59 0.05 . 1 . . . . . 0 HIS CB . 27093 1 6 . 1 1 4 4 MET HA H 1 4.40 0.01 . 1 . . . . . 1 MET HA . 27093 1 7 . 1 1 4 4 MET HB2 H 1 2.03 0.01 . 2 . . . . . 1 MET HB2 . 27093 1 8 . 1 1 4 4 MET HB3 H 1 1.93 0.01 . 2 . . . . . 1 MET HB3 . 27093 1 9 . 1 1 4 4 MET HG2 H 1 2.50 0.01 . 1 . . . . . 1 MET HG2 . 27093 1 10 . 1 1 4 4 MET HG3 H 1 2.44 0.01 . 1 . . . . . 1 MET HG3 . 27093 1 11 . 1 1 4 4 MET C C 13 175.75 0.01 . 1 . . . . . 1 MET C . 27093 1 12 . 1 1 4 4 MET CA C 13 55.54 0.03 . 1 . . . . . 1 MET CA . 27093 1 13 . 1 1 4 4 MET CB C 13 33.04 0.07 . 1 . . . . . 1 MET CB . 27093 1 14 . 1 1 4 4 MET CG C 13 31.92 0.02 . 1 . . . . . 1 MET CG . 27093 1 15 . 1 1 5 5 ALA H H 1 8.29 0.01 . 1 . . . . . 2 ALA H . 27093 1 16 . 1 1 5 5 ALA C C 13 177.73 0.01 . 1 . . . . . 2 ALA C . 27093 1 17 . 1 1 5 5 ALA CA C 13 52.68 0.01 . 1 . . . . . 2 ALA CA . 27093 1 18 . 1 1 5 5 ALA CB C 13 19.27 0.01 . 1 . . . . . 2 ALA CB . 27093 1 19 . 1 1 5 5 ALA N N 15 125.24 0.03 . 1 . . . . . 2 ALA N . 27093 1 20 . 1 1 8 8 SER C C 13 175.09 0.01 . 1 . . . . . 5 SER C . 27093 1 21 . 1 1 8 8 SER CA C 13 58.73 0.01 . 1 . . . . . 5 SER CA . 27093 1 22 . 1 1 9 9 GLY H H 1 8.33 0.01 . 1 . . . . . 6 GLY H . 27093 1 23 . 1 1 9 9 GLY HA2 H 1 3.98 0.01 . 2 . . . . . 6 GLY HA2 . 27093 1 24 . 1 1 9 9 GLY HA3 H 1 3.98 0.01 . 2 . . . . . 6 GLY HA3 . 27093 1 25 . 1 1 9 9 GLY C C 13 174.36 0.01 . 1 . . . . . 6 GLY C . 27093 1 26 . 1 1 9 9 GLY CA C 13 45.57 0.01 . 1 . . . . . 6 GLY CA . 27093 1 27 . 1 1 9 9 GLY N N 15 110.57 0.03 . 1 . . . . . 6 GLY N . 27093 1 28 . 1 1 10 10 ALA H H 1 8.21 0.01 . 1 . . . . . 7 ALA H . 27093 1 29 . 1 1 10 10 ALA HA H 1 4.27 0.01 . 1 . . . . . 7 ALA HA . 27093 1 30 . 1 1 10 10 ALA HB1 H 1 1.40 0.01 . 1 . . . . . 7 ALA HB . 27093 1 31 . 1 1 10 10 ALA HB2 H 1 1.40 0.01 . 1 . . . . . 7 ALA HB . 27093 1 32 . 1 1 10 10 ALA HB3 H 1 1.40 0.01 . 1 . . . . . 7 ALA HB . 27093 1 33 . 1 1 10 10 ALA C C 13 178.68 0.01 . 1 . . . . . 7 ALA C . 27093 1 34 . 1 1 10 10 ALA CA C 13 53.35 0.03 . 1 . . . . . 7 ALA CA . 27093 1 35 . 1 1 10 10 ALA CB C 13 19.15 0.01 . 1 . . . . . 7 ALA CB . 27093 1 36 . 1 1 10 10 ALA N N 15 123.88 0.03 . 1 . . . . . 7 ALA N . 27093 1 37 . 1 1 11 11 GLY H H 1 8.39 0.01 . 1 . . . . . 8 GLY H . 27093 1 38 . 1 1 11 11 GLY HA2 H 1 3.95 0.01 . 2 . . . . . 8 GLY HA2 . 27093 1 39 . 1 1 11 11 GLY HA3 H 1 3.90 0.01 . 2 . . . . . 8 GLY HA3 . 27093 1 40 . 1 1 11 11 GLY C C 13 174.90 0.01 . 1 . . . . . 8 GLY C . 27093 1 41 . 1 1 11 11 GLY CA C 13 45.87 0.02 . 1 . . . . . 8 GLY CA . 27093 1 42 . 1 1 11 11 GLY N N 15 107.61 0.03 . 1 . . . . . 8 GLY N . 27093 1 43 . 1 1 12 12 ALA H H 1 8.06 0.01 . 1 . . . . . 9 ALA H . 27093 1 44 . 1 1 12 12 ALA HA H 1 4.23 0.01 . 1 . . . . . 9 ALA HA . 27093 1 45 . 1 1 12 12 ALA HB1 H 1 1.40 0.01 . 1 . . . . . 9 ALA HB . 27093 1 46 . 1 1 12 12 ALA HB2 H 1 1.40 0.01 . 1 . . . . . 9 ALA HB . 27093 1 47 . 1 1 12 12 ALA HB3 H 1 1.40 0.01 . 1 . . . . . 9 ALA HB . 27093 1 48 . 1 1 12 12 ALA C C 13 178.92 0.01 . 1 . . . . . 9 ALA C . 27093 1 49 . 1 1 12 12 ALA CA C 13 53.72 0.01 . 1 . . . . . 9 ALA CA . 27093 1 50 . 1 1 12 12 ALA CB C 13 18.88 0.01 . 1 . . . . . 9 ALA CB . 27093 1 51 . 1 1 12 12 ALA N N 15 124.12 0.02 . 1 . . . . . 9 ALA N . 27093 1 52 . 1 1 19 19 ALA H H 1 7.90 0.01 . 1 . . . . . 16 ALA H . 27093 1 53 . 1 1 19 19 ALA C C 13 178.65 0.01 . 1 . . . . . 16 ALA C . 27093 1 54 . 1 1 19 19 ALA CA C 13 53.69 0.01 . 1 . . . . . 16 ALA CA . 27093 1 55 . 1 1 19 19 ALA CB C 13 18.76 0.01 . 1 . . . . . 16 ALA CB . 27093 1 56 . 1 1 19 19 ALA N N 15 120.63 0.01 . 1 . . . . . 16 ALA N . 27093 1 57 . 1 1 20 20 ASN H H 1 8.04 0.01 . 1 . . . . . 17 ASN H . 27093 1 58 . 1 1 20 20 ASN HA H 1 4.64 0.01 . 1 . . . . . 17 ASN HA . 27093 1 59 . 1 1 20 20 ASN HB2 H 1 2.81 0.01 . 2 . . . . . 17 ASN HB2 . 27093 1 60 . 1 1 20 20 ASN HB3 H 1 2.81 0.01 . 2 . . . . . 17 ASN HB3 . 27093 1 61 . 1 1 20 20 ASN HD21 H 1 7.50 0.01 . 2 . . . . . 17 ASN HD21 . 27093 1 62 . 1 1 20 20 ASN HD22 H 1 6.90 0.01 . 2 . . . . . 17 ASN HD22 . 27093 1 63 . 1 1 20 20 ASN C C 13 176.02 0.01 . 1 . . . . . 17 ASN C . 27093 1 64 . 1 1 20 20 ASN CA C 13 54.29 0.02 . 1 . . . . . 17 ASN CA . 27093 1 65 . 1 1 20 20 ASN CB C 13 38.90 0.03 . 1 . . . . . 17 ASN CB . 27093 1 66 . 1 1 20 20 ASN N N 15 116.70 0.03 . 1 . . . . . 17 ASN N . 27093 1 67 . 1 1 20 20 ASN ND2 N 15 111.94 0.01 . 1 . . . . . 17 ASN ND2 . 27093 1 68 . 1 1 21 21 LEU H H 1 8.07 0.01 . 1 . . . . . 18 LEU H . 27093 1 69 . 1 1 21 21 LEU HA H 1 4.17 0.01 . 1 . . . . . 18 LEU HA . 27093 1 70 . 1 1 21 21 LEU HB2 H 1 1.75 0.01 . 2 . . . . . 18 LEU HB2 . 27093 1 71 . 1 1 21 21 LEU HB3 H 1 1.63 0.01 . 2 . . . . . 18 LEU HB3 . 27093 1 72 . 1 1 21 21 LEU HG H 1 1.71 0.01 . 1 . . . . . 18 LEU HG . 27093 1 73 . 1 1 21 21 LEU HD11 H 1 0.91 0.01 . 2 . . . . . 18 LEU HD1 . 27093 1 74 . 1 1 21 21 LEU HD12 H 1 0.91 0.01 . 2 . . . . . 18 LEU HD1 . 27093 1 75 . 1 1 21 21 LEU HD13 H 1 0.91 0.01 . 2 . . . . . 18 LEU HD1 . 27093 1 76 . 1 1 21 21 LEU HD21 H 1 0.88 0.01 . 2 . . . . . 18 LEU HD2 . 27093 1 77 . 1 1 21 21 LEU HD22 H 1 0.88 0.01 . 2 . . . . . 18 LEU HD2 . 27093 1 78 . 1 1 21 21 LEU HD23 H 1 0.88 0.01 . 2 . . . . . 18 LEU HD2 . 27093 1 79 . 1 1 21 21 LEU C C 13 178.14 0.01 . 1 . . . . . 18 LEU C . 27093 1 80 . 1 1 21 21 LEU CA C 13 56.71 0.13 . 1 . . . . . 18 LEU CA . 27093 1 81 . 1 1 21 21 LEU CB C 13 41.84 0.06 . 1 . . . . . 18 LEU CB . 27093 1 82 . 1 1 21 21 LEU CG C 13 27.08 0.01 . 1 . . . . . 18 LEU CG . 27093 1 83 . 1 1 21 21 LEU CD1 C 13 25.10 0.01 . 2 . . . . . 18 LEU CD1 . 27093 1 84 . 1 1 21 21 LEU CD2 C 13 23.89 0.01 . 2 . . . . . 18 LEU CD2 . 27093 1 85 . 1 1 21 21 LEU N N 15 120.97 0.04 . 1 . . . . . 18 LEU N . 27093 1 86 . 1 1 22 22 ASN H H 1 8.33 0.01 . 1 . . . . . 19 ASN H . 27093 1 87 . 1 1 22 22 ASN HA H 1 4.50 0.01 . 1 . . . . . 19 ASN HA . 27093 1 88 . 1 1 22 22 ASN HB2 H 1 2.83 0.01 . 2 . . . . . 19 ASN HB2 . 27093 1 89 . 1 1 22 22 ASN HB3 H 1 2.83 0.01 . 2 . . . . . 19 ASN HB3 . 27093 1 90 . 1 1 22 22 ASN HD21 H 1 7.59 0.01 . 2 . . . . . 19 ASN HD21 . 27093 1 91 . 1 1 22 22 ASN HD22 H 1 6.90 0.01 . 2 . . . . . 19 ASN HD22 . 27093 1 92 . 1 1 22 22 ASN C C 13 176.25 0.01 . 1 . . . . . 19 ASN C . 27093 1 93 . 1 1 22 22 ASN CA C 13 55.49 0.03 . 1 . . . . . 19 ASN CA . 27093 1 94 . 1 1 22 22 ASN CB C 13 38.47 0.02 . 1 . . . . . 19 ASN CB . 27093 1 95 . 1 1 22 22 ASN N N 15 118.24 0.04 . 1 . . . . . 19 ASN N . 27093 1 96 . 1 1 22 22 ASN ND2 N 15 112.98 0.01 . 1 . . . . . 19 ASN ND2 . 27093 1 97 . 1 1 23 23 ALA H H 1 7.98 0.01 . 1 . . . . . 20 ALA H . 27093 1 98 . 1 1 23 23 ALA HA H 1 4.20 0.01 . 1 . . . . . 20 ALA HA . 27093 1 99 . 1 1 23 23 ALA HB1 H 1 1.43 0.01 . 1 . . . . . 20 ALA HB . 27093 1 100 . 1 1 23 23 ALA HB2 H 1 1.43 0.01 . 1 . . . . . 20 ALA HB . 27093 1 101 . 1 1 23 23 ALA HB3 H 1 1.43 0.01 . 1 . . . . . 20 ALA HB . 27093 1 102 . 1 1 23 23 ALA C C 13 179.71 0.01 . 1 . . . . . 20 ALA C . 27093 1 103 . 1 1 23 23 ALA CA C 13 54.09 0.20 . 1 . . . . . 20 ALA CA . 27093 1 104 . 1 1 23 23 ALA CB C 13 18.80 0.07 . 1 . . . . . 20 ALA CB . 27093 1 105 . 1 1 23 23 ALA N N 15 121.59 0.06 . 1 . . . . . 20 ALA N . 27093 1 106 . 1 1 24 24 VAL H H 1 7.83 0.01 . 1 . . . . . 21 VAL H . 27093 1 107 . 1 1 24 24 VAL HA H 1 3.77 0.01 . 1 . . . . . 21 VAL HA . 27093 1 108 . 1 1 24 24 VAL HB H 1 2.26 0.01 . 1 . . . . . 21 VAL HB . 27093 1 109 . 1 1 24 24 VAL HG11 H 1 1.03 0.01 . 2 . . . . . 21 VAL HG1 . 27093 1 110 . 1 1 24 24 VAL HG12 H 1 1.03 0.01 . 2 . . . . . 21 VAL HG1 . 27093 1 111 . 1 1 24 24 VAL HG13 H 1 1.03 0.01 . 2 . . . . . 21 VAL HG1 . 27093 1 112 . 1 1 24 24 VAL HG21 H 1 0.93 0.01 . 2 . . . . . 21 VAL HG2 . 27093 1 113 . 1 1 24 24 VAL HG22 H 1 0.93 0.01 . 2 . . . . . 21 VAL HG2 . 27093 1 114 . 1 1 24 24 VAL HG23 H 1 0.93 0.01 . 2 . . . . . 21 VAL HG2 . 27093 1 115 . 1 1 24 24 VAL C C 13 176.90 0.01 . 1 . . . . . 21 VAL C . 27093 1 116 . 1 1 24 24 VAL CA C 13 65.33 0.05 . 1 . . . . . 21 VAL CA . 27093 1 117 . 1 1 24 24 VAL CB C 13 31.82 0.05 . 1 . . . . . 21 VAL CB . 27093 1 118 . 1 1 24 24 VAL CG1 C 13 22.43 0.10 . 2 . . . . . 21 VAL CG1 . 27093 1 119 . 1 1 24 24 VAL CG2 C 13 21.68 0.06 . 2 . . . . . 21 VAL CG2 . 27093 1 120 . 1 1 24 24 VAL N N 15 118.44 0.03 . 1 . . . . . 21 VAL N . 27093 1 121 . 1 1 25 25 ARG H H 1 8.16 0.01 . 1 . . . . . 22 ARG H . 27093 1 122 . 1 1 25 25 ARG HA H 1 3.98 0.01 . 1 . . . . . 22 ARG HA . 27093 1 123 . 1 1 25 25 ARG HB2 H 1 1.98 0.01 . 2 . . . . . 22 ARG HB2 . 27093 1 124 . 1 1 25 25 ARG HB3 H 1 1.90 0.01 . 2 . . . . . 22 ARG HB3 . 27093 1 125 . 1 1 25 25 ARG C C 13 177.82 0.01 . 1 . . . . . 22 ARG C . 27093 1 126 . 1 1 25 25 ARG CA C 13 59.34 0.02 . 1 . . . . . 22 ARG CA . 27093 1 127 . 1 1 25 25 ARG CB C 13 30.10 0.05 . 1 . . . . . 22 ARG CB . 27093 1 128 . 1 1 25 25 ARG N N 15 121.94 0.03 . 1 . . . . . 22 ARG N . 27093 1 129 . 1 1 26 26 GLU H H 1 8.47 0.01 . 1 . . . . . 23 GLU H . 27093 1 130 . 1 1 26 26 GLU HA H 1 4.18 0.01 . 1 . . . . . 23 GLU HA . 27093 1 131 . 1 1 26 26 GLU HB2 H 1 2.03 0.02 . 2 . . . . . 23 GLU HB2 . 27093 1 132 . 1 1 26 26 GLU HB3 H 1 2.03 0.02 . 2 . . . . . 23 GLU HB3 . 27093 1 133 . 1 1 26 26 GLU HG2 H 1 2.38 0.01 . 2 . . . . . 23 GLU HG2 . 27093 1 134 . 1 1 26 26 GLU HG3 H 1 2.29 0.01 . 2 . . . . . 23 GLU HG3 . 27093 1 135 . 1 1 26 26 GLU C C 13 178.70 0.01 . 1 . . . . . 23 GLU C . 27093 1 136 . 1 1 26 26 GLU CA C 13 59.05 0.06 . 1 . . . . . 23 GLU CA . 27093 1 137 . 1 1 26 26 GLU CB C 13 30.00 0.06 . 1 . . . . . 23 GLU CB . 27093 1 138 . 1 1 26 26 GLU CG C 13 36.75 0.01 . 1 . . . . . 23 GLU CG . 27093 1 139 . 1 1 26 26 GLU N N 15 117.90 0.02 . 1 . . . . . 23 GLU N . 27093 1 140 . 1 1 27 27 THR H H 1 7.83 0.01 . 1 . . . . . 24 THR H . 27093 1 141 . 1 1 27 27 THR HA H 1 3.86 0.01 . 1 . . . . . 24 THR HA . 27093 1 142 . 1 1 27 27 THR HB H 1 4.25 0.01 . 1 . . . . . 24 THR HB . 27093 1 143 . 1 1 27 27 THR HG21 H 1 1.15 0.01 . 1 . . . . . 24 THR HG2 . 27093 1 144 . 1 1 27 27 THR HG22 H 1 1.15 0.01 . 1 . . . . . 24 THR HG2 . 27093 1 145 . 1 1 27 27 THR HG23 H 1 1.15 0.01 . 1 . . . . . 24 THR HG2 . 27093 1 146 . 1 1 27 27 THR C C 13 176.02 0.01 . 1 . . . . . 24 THR C . 27093 1 147 . 1 1 27 27 THR CA C 13 67.07 0.05 . 1 . . . . . 24 THR CA . 27093 1 148 . 1 1 27 27 THR CB C 13 68.40 0.11 . 1 . . . . . 24 THR CB . 27093 1 149 . 1 1 27 27 THR CG2 C 13 21.89 0.05 . 1 . . . . . 24 THR CG2 . 27093 1 150 . 1 1 27 27 THR N N 15 115.77 0.03 . 1 . . . . . 24 THR N . 27093 1 151 . 1 1 28 28 MET H H 1 8.41 0.01 . 1 . . . . . 25 MET H . 27093 1 152 . 1 1 28 28 MET HA H 1 4.14 0.03 . 1 . . . . . 25 MET HA . 27093 1 153 . 1 1 28 28 MET HB2 H 1 2.18 0.02 . 2 . . . . . 25 MET HB2 . 27093 1 154 . 1 1 28 28 MET HB3 H 1 2.12 0.02 . 2 . . . . . 25 MET HB3 . 27093 1 155 . 1 1 28 28 MET HG2 H 1 2.64 0.01 . 2 . . . . . 25 MET HG2 . 27093 1 156 . 1 1 28 28 MET HG3 H 1 2.56 0.01 . 2 . . . . . 25 MET HG3 . 27093 1 157 . 1 1 28 28 MET C C 13 177.47 0.01 . 1 . . . . . 25 MET C . 27093 1 158 . 1 1 28 28 MET CA C 13 58.41 0.06 . 1 . . . . . 25 MET CA . 27093 1 159 . 1 1 28 28 MET CB C 13 31.74 0.08 . 1 . . . . . 25 MET CB . 27093 1 160 . 1 1 28 28 MET CG C 13 32.47 0.09 . 1 . . . . . 25 MET CG . 27093 1 161 . 1 1 28 28 MET N N 15 120.39 0.03 . 1 . . . . . 25 MET N . 27093 1 162 . 1 1 29 29 ASP H H 1 8.24 0.01 . 1 . . . . . 26 ASP H . 27093 1 163 . 1 1 29 29 ASP HA H 1 4.46 0.01 . 1 . . . . . 26 ASP HA . 27093 1 164 . 1 1 29 29 ASP HB2 H 1 2.84 0.01 . 2 . . . . . 26 ASP HB2 . 27093 1 165 . 1 1 29 29 ASP HB3 H 1 2.63 0.01 . 2 . . . . . 26 ASP HB3 . 27093 1 166 . 1 1 29 29 ASP C C 13 179.32 0.01 . 1 . . . . . 26 ASP C . 27093 1 167 . 1 1 29 29 ASP CA C 13 57.61 0.09 . 1 . . . . . 26 ASP CA . 27093 1 168 . 1 1 29 29 ASP CB C 13 40.50 0.04 . 1 . . . . . 26 ASP CB . 27093 1 169 . 1 1 29 29 ASP N N 15 119.19 0.03 . 1 . . . . . 26 ASP N . 27093 1 170 . 1 1 30 30 VAL H H 1 7.67 0.01 . 1 . . . . . 27 VAL H . 27093 1 171 . 1 1 30 30 VAL HA H 1 3.72 0.01 . 1 . . . . . 27 VAL HA . 27093 1 172 . 1 1 30 30 VAL HB H 1 2.30 0.01 . 1 . . . . . 27 VAL HB . 27093 1 173 . 1 1 30 30 VAL HG11 H 1 1.12 0.01 . 2 . . . . . 27 VAL HG1 . 27093 1 174 . 1 1 30 30 VAL HG12 H 1 1.12 0.01 . 2 . . . . . 27 VAL HG1 . 27093 1 175 . 1 1 30 30 VAL HG13 H 1 1.12 0.01 . 2 . . . . . 27 VAL HG1 . 27093 1 176 . 1 1 30 30 VAL HG21 H 1 0.95 0.01 . 2 . . . . . 27 VAL HG2 . 27093 1 177 . 1 1 30 30 VAL HG22 H 1 0.95 0.01 . 2 . . . . . 27 VAL HG2 . 27093 1 178 . 1 1 30 30 VAL HG23 H 1 0.95 0.01 . 2 . . . . . 27 VAL HG2 . 27093 1 179 . 1 1 30 30 VAL C C 13 177.60 0.01 . 1 . . . . . 27 VAL C . 27093 1 180 . 1 1 30 30 VAL CA C 13 66.53 0.08 . 1 . . . . . 27 VAL CA . 27093 1 181 . 1 1 30 30 VAL CB C 13 31.68 0.06 . 1 . . . . . 27 VAL CB . 27093 1 182 . 1 1 30 30 VAL CG1 C 13 23.14 0.11 . 2 . . . . . 27 VAL CG1 . 27093 1 183 . 1 1 30 30 VAL CG2 C 13 21.66 0.08 . 2 . . . . . 27 VAL CG2 . 27093 1 184 . 1 1 30 30 VAL N N 15 119.80 0.04 . 1 . . . . . 27 VAL N . 27093 1 185 . 1 1 31 31 LEU H H 1 8.10 0.01 . 1 . . . . . 28 LEU H . 27093 1 186 . 1 1 31 31 LEU HA H 1 3.96 0.01 . 1 . . . . . 28 LEU HA . 27093 1 187 . 1 1 31 31 LEU HB2 H 1 1.97 0.01 . 2 . . . . . 28 LEU HB2 . 27093 1 188 . 1 1 31 31 LEU HB3 H 1 1.47 0.01 . 2 . . . . . 28 LEU HB3 . 27093 1 189 . 1 1 31 31 LEU HG H 1 1.88 0.01 . 1 . . . . . 28 LEU HG . 27093 1 190 . 1 1 31 31 LEU HD21 H 1 0.81 0.01 . 2 . . . . . 28 LEU HD2 . 27093 1 191 . 1 1 31 31 LEU HD22 H 1 0.81 0.01 . 2 . . . . . 28 LEU HD2 . 27093 1 192 . 1 1 31 31 LEU HD23 H 1 0.81 0.01 . 2 . . . . . 28 LEU HD2 . 27093 1 193 . 1 1 31 31 LEU C C 13 179.24 0.01 . 1 . . . . . 28 LEU C . 27093 1 194 . 1 1 31 31 LEU CA C 13 58.37 0.10 . 1 . . . . . 28 LEU CA . 27093 1 195 . 1 1 31 31 LEU CB C 13 41.42 0.10 . 1 . . . . . 28 LEU CB . 27093 1 196 . 1 1 31 31 LEU CG C 13 26.99 0.01 . 1 . . . . . 28 LEU CG . 27093 1 197 . 1 1 31 31 LEU CD1 C 13 25.60 0.01 . 2 . . . . . 28 LEU CD1 . 27093 1 198 . 1 1 31 31 LEU CD2 C 13 23.22 0.04 . 2 . . . . . 28 LEU CD2 . 27093 1 199 . 1 1 31 31 LEU N N 15 119.42 0.03 . 1 . . . . . 28 LEU N . 27093 1 200 . 1 1 32 32 LEU H H 1 8.54 0.01 . 1 . . . . . 29 LEU H . 27093 1 201 . 1 1 32 32 LEU HA H 1 4.02 0.01 . 1 . . . . . 29 LEU HA . 27093 1 202 . 1 1 32 32 LEU HB2 H 1 1.91 0.01 . 2 . . . . . 29 LEU HB2 . 27093 1 203 . 1 1 32 32 LEU HB3 H 1 1.66 0.01 . 2 . . . . . 29 LEU HB3 . 27093 1 204 . 1 1 32 32 LEU HG H 1 1.75 0.01 . 1 . . . . . 29 LEU HG . 27093 1 205 . 1 1 32 32 LEU HD11 H 1 0.93 0.01 . 2 . . . . . 29 LEU HD1 . 27093 1 206 . 1 1 32 32 LEU HD12 H 1 0.93 0.01 . 2 . . . . . 29 LEU HD1 . 27093 1 207 . 1 1 32 32 LEU HD13 H 1 0.93 0.01 . 2 . . . . . 29 LEU HD1 . 27093 1 208 . 1 1 32 32 LEU HD21 H 1 0.90 0.01 . 2 . . . . . 29 LEU HD2 . 27093 1 209 . 1 1 32 32 LEU HD22 H 1 0.90 0.01 . 2 . . . . . 29 LEU HD2 . 27093 1 210 . 1 1 32 32 LEU HD23 H 1 0.90 0.01 . 2 . . . . . 29 LEU HD2 . 27093 1 211 . 1 1 32 32 LEU C C 13 179.94 0.01 . 1 . . . . . 29 LEU C . 27093 1 212 . 1 1 32 32 LEU CA C 13 58.03 0.07 . 1 . . . . . 29 LEU CA . 27093 1 213 . 1 1 32 32 LEU CB C 13 41.38 0.06 . 1 . . . . . 29 LEU CB . 27093 1 214 . 1 1 32 32 LEU CG C 13 27.38 0.02 . 1 . . . . . 29 LEU CG . 27093 1 215 . 1 1 32 32 LEU CD1 C 13 25.00 0.03 . 2 . . . . . 29 LEU CD1 . 27093 1 216 . 1 1 32 32 LEU CD2 C 13 23.90 0.01 . 2 . . . . . 29 LEU CD2 . 27093 1 217 . 1 1 32 32 LEU N N 15 119.39 0.02 . 1 . . . . . 29 LEU N . 27093 1 218 . 1 1 33 33 GLU H H 1 7.79 0.01 . 1 . . . . . 30 GLU H . 27093 1 219 . 1 1 33 33 GLU HA H 1 4.34 0.01 . 1 . . . . . 30 GLU HA . 27093 1 220 . 1 1 33 33 GLU HB2 H 1 2.17 0.01 . 2 . . . . . 30 GLU HB2 . 27093 1 221 . 1 1 33 33 GLU HB3 H 1 2.11 0.01 . 2 . . . . . 30 GLU HB3 . 27093 1 222 . 1 1 33 33 GLU HG2 H 1 2.40 0.01 . 2 . . . . . 30 GLU HG2 . 27093 1 223 . 1 1 33 33 GLU HG3 H 1 2.26 0.01 . 2 . . . . . 30 GLU HG3 . 27093 1 224 . 1 1 33 33 GLU C C 13 179.25 0.03 . 1 . . . . . 30 GLU C . 27093 1 225 . 1 1 33 33 GLU CA C 13 59.01 0.04 . 1 . . . . . 30 GLU CA . 27093 1 226 . 1 1 33 33 GLU CB C 13 29.24 0.04 . 1 . . . . . 30 GLU CB . 27093 1 227 . 1 1 33 33 GLU CG C 13 35.31 0.08 . 1 . . . . . 30 GLU CG . 27093 1 228 . 1 1 33 33 GLU N N 15 120.87 0.04 . 1 . . . . . 30 GLU N . 27093 1 229 . 1 1 34 34 ILE H H 1 8.40 0.01 . 1 . . . . . 31 ILE H . 27093 1 230 . 1 1 34 34 ILE HA H 1 3.63 0.01 . 1 . . . . . 31 ILE HA . 27093 1 231 . 1 1 34 34 ILE HB H 1 2.00 0.01 . 1 . . . . . 31 ILE HB . 27093 1 232 . 1 1 34 34 ILE HG12 H 1 1.90 0.01 . 2 . . . . . 31 ILE HG12 . 27093 1 233 . 1 1 34 34 ILE HG13 H 1 1.01 0.01 . 2 . . . . . 31 ILE HG13 . 27093 1 234 . 1 1 34 34 ILE HG21 H 1 0.84 0.01 . 1 . . . . . 31 ILE HG2 . 27093 1 235 . 1 1 34 34 ILE HG22 H 1 0.84 0.01 . 1 . . . . . 31 ILE HG2 . 27093 1 236 . 1 1 34 34 ILE HG23 H 1 0.84 0.01 . 1 . . . . . 31 ILE HG2 . 27093 1 237 . 1 1 34 34 ILE HD11 H 1 0.79 0.01 . 1 . . . . . 31 ILE HD1 . 27093 1 238 . 1 1 34 34 ILE HD12 H 1 0.79 0.01 . 1 . . . . . 31 ILE HD1 . 27093 1 239 . 1 1 34 34 ILE HD13 H 1 0.79 0.01 . 1 . . . . . 31 ILE HD1 . 27093 1 240 . 1 1 34 34 ILE C C 13 177.61 0.01 . 1 . . . . . 31 ILE C . 27093 1 241 . 1 1 34 34 ILE CA C 13 65.60 0.06 . 1 . . . . . 31 ILE CA . 27093 1 242 . 1 1 34 34 ILE CB C 13 37.54 0.08 . 1 . . . . . 31 ILE CB . 27093 1 243 . 1 1 34 34 ILE CG1 C 13 29.43 0.09 . 1 . . . . . 31 ILE CG1 . 27093 1 244 . 1 1 34 34 ILE CG2 C 13 17.57 0.04 . 1 . . . . . 31 ILE CG2 . 27093 1 245 . 1 1 34 34 ILE CD1 C 13 13.76 0.04 . 1 . . . . . 31 ILE CD1 . 27093 1 246 . 1 1 34 34 ILE N N 15 119.02 0.03 . 1 . . . . . 31 ILE N . 27093 1 247 . 1 1 35 35 SER H H 1 8.25 0.01 . 1 . . . . . 32 SER H . 27093 1 248 . 1 1 35 35 SER C C 13 175.98 0.01 . 1 . . . . . 32 SER C . 27093 1 249 . 1 1 35 35 SER CA C 13 62.92 0.07 . 1 . . . . . 32 SER CA . 27093 1 250 . 1 1 35 35 SER N N 15 114.43 0.04 . 1 . . . . . 32 SER N . 27093 1 251 . 1 1 36 36 ARG H H 1 7.77 0.01 . 1 . . . . . 33 ARG H . 27093 1 252 . 1 1 36 36 ARG HA H 1 4.14 0.01 . 1 . . . . . 33 ARG HA . 27093 1 253 . 1 1 36 36 ARG C C 13 179.34 0.03 . 1 . . . . . 33 ARG C . 27093 1 254 . 1 1 36 36 ARG CA C 13 59.41 0.04 . 1 . . . . . 33 ARG CA . 27093 1 255 . 1 1 36 36 ARG CB C 13 30.47 0.08 . 1 . . . . . 33 ARG CB . 27093 1 256 . 1 1 36 36 ARG N N 15 121.06 0.05 . 1 . . . . . 33 ARG N . 27093 1 257 . 1 1 37 37 ILE H H 1 8.04 0.01 . 1 . . . . . 34 ILE H . 27093 1 258 . 1 1 37 37 ILE HA H 1 3.85 0.01 . 1 . . . . . 34 ILE HA . 27093 1 259 . 1 1 37 37 ILE HB H 1 1.98 0.01 . 1 . . . . . 34 ILE HB . 27093 1 260 . 1 1 37 37 ILE HG12 H 1 1.77 0.01 . 2 . . . . . 34 ILE HG12 . 27093 1 261 . 1 1 37 37 ILE HG13 H 1 1.22 0.01 . 2 . . . . . 34 ILE HG13 . 27093 1 262 . 1 1 37 37 ILE HG21 H 1 0.91 0.01 . 1 . . . . . 34 ILE HG2 . 27093 1 263 . 1 1 37 37 ILE HG22 H 1 0.91 0.01 . 1 . . . . . 34 ILE HG2 . 27093 1 264 . 1 1 37 37 ILE HG23 H 1 0.91 0.01 . 1 . . . . . 34 ILE HG2 . 27093 1 265 . 1 1 37 37 ILE HD11 H 1 0.86 0.01 . 1 . . . . . 34 ILE HD1 . 27093 1 266 . 1 1 37 37 ILE HD12 H 1 0.86 0.01 . 1 . . . . . 34 ILE HD1 . 27093 1 267 . 1 1 37 37 ILE HD13 H 1 0.86 0.01 . 1 . . . . . 34 ILE HD1 . 27093 1 268 . 1 1 37 37 ILE C C 13 177.66 0.01 . 1 . . . . . 34 ILE C . 27093 1 269 . 1 1 37 37 ILE CA C 13 64.36 0.04 . 1 . . . . . 34 ILE CA . 27093 1 270 . 1 1 37 37 ILE CB C 13 38.26 0.05 . 1 . . . . . 34 ILE CB . 27093 1 271 . 1 1 37 37 ILE CG1 C 13 29.01 0.04 . 1 . . . . . 34 ILE CG1 . 27093 1 272 . 1 1 37 37 ILE CG2 C 13 17.70 0.03 . 1 . . . . . 34 ILE CG2 . 27093 1 273 . 1 1 37 37 ILE CD1 C 13 13.89 0.04 . 1 . . . . . 34 ILE CD1 . 27093 1 274 . 1 1 37 37 ILE N N 15 119.75 0.04 . 1 . . . . . 34 ILE N . 27093 1 275 . 1 1 38 38 LEU H H 1 8.05 0.01 . 1 . . . . . 35 LEU H . 27093 1 276 . 1 1 38 38 LEU HA H 1 4.14 0.01 . 1 . . . . . 35 LEU HA . 27093 1 277 . 1 1 38 38 LEU HB2 H 1 1.82 0.02 . 2 . . . . . 35 LEU HB2 . 27093 1 278 . 1 1 38 38 LEU HB3 H 1 1.51 0.01 . 2 . . . . . 35 LEU HB3 . 27093 1 279 . 1 1 38 38 LEU HD11 H 1 0.82 0.01 . 2 . . . . . 35 LEU HD1 . 27093 1 280 . 1 1 38 38 LEU HD12 H 1 0.82 0.01 . 2 . . . . . 35 LEU HD1 . 27093 1 281 . 1 1 38 38 LEU HD13 H 1 0.82 0.01 . 2 . . . . . 35 LEU HD1 . 27093 1 282 . 1 1 38 38 LEU HD21 H 1 0.82 0.01 . 2 . . . . . 35 LEU HD2 . 27093 1 283 . 1 1 38 38 LEU HD22 H 1 0.82 0.01 . 2 . . . . . 35 LEU HD2 . 27093 1 284 . 1 1 38 38 LEU HD23 H 1 0.82 0.01 . 2 . . . . . 35 LEU HD2 . 27093 1 285 . 1 1 38 38 LEU C C 13 176.88 0.01 . 1 . . . . . 35 LEU C . 27093 1 286 . 1 1 38 38 LEU CA C 13 56.38 0.06 . 1 . . . . . 35 LEU CA . 27093 1 287 . 1 1 38 38 LEU CB C 13 41.97 0.04 . 1 . . . . . 35 LEU CB . 27093 1 288 . 1 1 38 38 LEU CD1 C 13 26.00 0.11 . 2 . . . . . 35 LEU CD1 . 27093 1 289 . 1 1 38 38 LEU CD2 C 13 26.00 0.11 . 2 . . . . . 35 LEU CD2 . 27093 1 290 . 1 1 38 38 LEU N N 15 117.92 0.05 . 1 . . . . . 35 LEU N . 27093 1 291 . 1 1 39 39 ASN H H 1 7.90 0.01 . 1 . . . . . 36 ASN H . 27093 1 292 . 1 1 39 39 ASN HA H 1 4.57 0.01 . 1 . . . . . 36 ASN HA . 27093 1 293 . 1 1 39 39 ASN HB2 H 1 2.98 0.01 . 2 . . . . . 36 ASN HB2 . 27093 1 294 . 1 1 39 39 ASN HB3 H 1 2.75 0.01 . 2 . . . . . 36 ASN HB3 . 27093 1 295 . 1 1 39 39 ASN HD21 H 1 7.50 0.01 . 2 . . . . . 36 ASN HD21 . 27093 1 296 . 1 1 39 39 ASN HD22 H 1 6.69 0.01 . 2 . . . . . 36 ASN HD22 . 27093 1 297 . 1 1 39 39 ASN C C 13 175.61 0.01 . 1 . . . . . 36 ASN C . 27093 1 298 . 1 1 39 39 ASN CA C 13 54.58 0.04 . 1 . . . . . 36 ASN CA . 27093 1 299 . 1 1 39 39 ASN CB C 13 38.96 0.05 . 1 . . . . . 36 ASN CB . 27093 1 300 . 1 1 39 39 ASN N N 15 115.67 0.02 . 1 . . . . . 36 ASN N . 27093 1 301 . 1 1 39 39 ASN ND2 N 15 111.46 0.01 . 1 . . . . . 36 ASN ND2 . 27093 1 302 . 1 1 40 40 THR H H 1 7.85 0.01 . 1 . . . . . 37 THR H . 27093 1 303 . 1 1 40 40 THR HA H 1 4.31 0.01 . 1 . . . . . 37 THR HA . 27093 1 304 . 1 1 40 40 THR HB H 1 4.19 0.01 . 1 . . . . . 37 THR HB . 27093 1 305 . 1 1 40 40 THR HG21 H 1 1.24 0.01 . 1 . . . . . 37 THR HG2 . 27093 1 306 . 1 1 40 40 THR HG22 H 1 1.24 0.01 . 1 . . . . . 37 THR HG2 . 27093 1 307 . 1 1 40 40 THR HG23 H 1 1.24 0.01 . 1 . . . . . 37 THR HG2 . 27093 1 308 . 1 1 40 40 THR C C 13 174.93 0.01 . 1 . . . . . 37 THR C . 27093 1 309 . 1 1 40 40 THR CA C 13 62.78 0.03 . 1 . . . . . 37 THR CA . 27093 1 310 . 1 1 40 40 THR CB C 13 70.39 0.09 . 1 . . . . . 37 THR CB . 27093 1 311 . 1 1 40 40 THR CG2 C 13 21.59 0.06 . 1 . . . . . 37 THR CG2 . 27093 1 312 . 1 1 40 40 THR N N 15 109.86 0.02 . 1 . . . . . 37 THR N . 27093 1 313 . 1 1 41 41 GLY H H 1 8.21 0.01 . 1 . . . . . 38 GLY H . 27093 1 314 . 1 1 41 41 GLY HA2 H 1 3.95 0.01 . 2 . . . . . 38 GLY HA2 . 27093 1 315 . 1 1 41 41 GLY HA3 H 1 3.95 0.01 . 2 . . . . . 38 GLY HA3 . 27093 1 316 . 1 1 41 41 GLY C C 13 173.18 0.01 . 1 . . . . . 38 GLY C . 27093 1 317 . 1 1 41 41 GLY CA C 13 45.46 0.01 . 1 . . . . . 38 GLY CA . 27093 1 318 . 1 1 41 41 GLY N N 15 109.59 0.05 . 1 . . . . . 38 GLY N . 27093 1 319 . 1 1 42 42 LEU H H 1 7.82 0.01 . 1 . . . . . 39 LEU H . 27093 1 320 . 1 1 42 42 LEU HA H 1 4.39 0.01 . 1 . . . . . 39 LEU HA . 27093 1 321 . 1 1 42 42 LEU HB2 H 1 1.60 0.01 . 2 . . . . . 39 LEU HB2 . 27093 1 322 . 1 1 42 42 LEU HB3 H 1 1.51 0.01 . 2 . . . . . 39 LEU HB3 . 27093 1 323 . 1 1 42 42 LEU HG H 1 1.66 0.01 . 1 . . . . . 39 LEU HG . 27093 1 324 . 1 1 42 42 LEU HD11 H 1 0.88 0.01 . 2 . . . . . 39 LEU HD1 . 27093 1 325 . 1 1 42 42 LEU HD12 H 1 0.88 0.01 . 2 . . . . . 39 LEU HD1 . 27093 1 326 . 1 1 42 42 LEU HD13 H 1 0.88 0.01 . 2 . . . . . 39 LEU HD1 . 27093 1 327 . 1 1 42 42 LEU HD21 H 1 0.86 0.01 . 2 . . . . . 39 LEU HD2 . 27093 1 328 . 1 1 42 42 LEU HD22 H 1 0.86 0.01 . 2 . . . . . 39 LEU HD2 . 27093 1 329 . 1 1 42 42 LEU HD23 H 1 0.86 0.01 . 2 . . . . . 39 LEU HD2 . 27093 1 330 . 1 1 42 42 LEU C C 13 174.95 0.01 . 1 . . . . . 39 LEU C . 27093 1 331 . 1 1 42 42 LEU CA C 13 54.51 0.04 . 1 . . . . . 39 LEU CA . 27093 1 332 . 1 1 42 42 LEU CB C 13 43.16 0.07 . 1 . . . . . 39 LEU CB . 27093 1 333 . 1 1 42 42 LEU CG C 13 27.08 0.14 . 1 . . . . . 39 LEU CG . 27093 1 334 . 1 1 42 42 LEU CD1 C 13 25.34 0.04 . 2 . . . . . 39 LEU CD1 . 27093 1 335 . 1 1 42 42 LEU CD2 C 13 24.63 0.07 . 2 . . . . . 39 LEU CD2 . 27093 1 336 . 1 1 42 42 LEU N N 15 120.15 0.04 . 1 . . . . . 39 LEU N . 27093 1 337 . 1 1 43 43 ASP H H 1 7.80 0.01 . 1 . . . . . 40 ASP H . 27093 1 338 . 1 1 43 43 ASP HA H 1 4.68 0.01 . 1 . . . . . 40 ASP HA . 27093 1 339 . 1 1 43 43 ASP HB2 H 1 3.00 0.01 . 2 . . . . . 40 ASP HB2 . 27093 1 340 . 1 1 43 43 ASP HB3 H 1 2.72 0.01 . 2 . . . . . 40 ASP HB3 . 27093 1 341 . 1 1 43 43 ASP C C 13 175.89 0.01 . 1 . . . . . 40 ASP C . 27093 1 342 . 1 1 43 43 ASP CA C 13 52.74 0.07 . 1 . . . . . 40 ASP CA . 27093 1 343 . 1 1 43 43 ASP CB C 13 42.49 0.09 . 1 . . . . . 40 ASP CB . 27093 1 344 . 1 1 43 43 ASP N N 15 120.04 0.03 . 1 . . . . . 40 ASP N . 27093 1 345 . 1 1 44 44 MET H H 1 8.74 0.01 . 1 . . . . . 41 MET H . 27093 1 346 . 1 1 44 44 MET HA H 1 4.26 0.01 . 1 . . . . . 41 MET HA . 27093 1 347 . 1 1 44 44 MET HB2 H 1 2.14 0.01 . 2 . . . . . 41 MET HB2 . 27093 1 348 . 1 1 44 44 MET HB3 H 1 2.08 0.01 . 2 . . . . . 41 MET HB3 . 27093 1 349 . 1 1 44 44 MET HG2 H 1 2.73 0.01 . 2 . . . . . 41 MET HG2 . 27093 1 350 . 1 1 44 44 MET HG3 H 1 2.64 0.01 . 2 . . . . . 41 MET HG3 . 27093 1 351 . 1 1 44 44 MET C C 13 178.71 0.01 . 1 . . . . . 41 MET C . 27093 1 352 . 1 1 44 44 MET CA C 13 57.85 0.05 . 1 . . . . . 41 MET CA . 27093 1 353 . 1 1 44 44 MET CB C 13 32.02 0.08 . 1 . . . . . 41 MET CB . 27093 1 354 . 1 1 44 44 MET CG C 13 32.57 0.10 . 1 . . . . . 41 MET CG . 27093 1 355 . 1 1 44 44 MET N N 15 119.15 0.03 . 1 . . . . . 41 MET N . 27093 1 356 . 1 1 45 45 GLU H H 1 8.60 0.01 . 1 . . . . . 42 GLU H . 27093 1 357 . 1 1 45 45 GLU HA H 1 4.09 0.01 . 1 . . . . . 42 GLU HA . 27093 1 358 . 1 1 45 45 GLU HB2 H 1 2.13 0.01 . 2 . . . . . 42 GLU HB2 . 27093 1 359 . 1 1 45 45 GLU HB3 H 1 2.13 0.01 . 2 . . . . . 42 GLU HB3 . 27093 1 360 . 1 1 45 45 GLU HG2 H 1 2.27 0.01 . 2 . . . . . 42 GLU HG2 . 27093 1 361 . 1 1 45 45 GLU HG3 H 1 2.27 0.01 . 2 . . . . . 42 GLU HG3 . 27093 1 362 . 1 1 45 45 GLU C C 13 179.17 0.01 . 1 . . . . . 42 GLU C . 27093 1 363 . 1 1 45 45 GLU CA C 13 59.95 0.05 . 1 . . . . . 42 GLU CA . 27093 1 364 . 1 1 45 45 GLU CB C 13 29.11 0.03 . 1 . . . . . 42 GLU CB . 27093 1 365 . 1 1 45 45 GLU CG C 13 36.57 0.02 . 1 . . . . . 42 GLU CG . 27093 1 366 . 1 1 45 45 GLU N N 15 121.59 0.02 . 1 . . . . . 42 GLU N . 27093 1 367 . 1 1 46 46 THR H H 1 8.44 0.01 . 1 . . . . . 43 THR H . 27093 1 368 . 1 1 46 46 THR HA H 1 3.82 0.01 . 1 . . . . . 43 THR HA . 27093 1 369 . 1 1 46 46 THR HB H 1 4.16 0.01 . 1 . . . . . 43 THR HB . 27093 1 370 . 1 1 46 46 THR HG21 H 1 1.17 0.01 . 1 . . . . . 43 THR HG2 . 27093 1 371 . 1 1 46 46 THR HG22 H 1 1.17 0.01 . 1 . . . . . 43 THR HG2 . 27093 1 372 . 1 1 46 46 THR HG23 H 1 1.17 0.01 . 1 . . . . . 43 THR HG2 . 27093 1 373 . 1 1 46 46 THR C C 13 176.90 0.03 . 1 . . . . . 43 THR C . 27093 1 374 . 1 1 46 46 THR CA C 13 67.36 0.12 . 1 . . . . . 43 THR CA . 27093 1 375 . 1 1 46 46 THR CB C 13 67.92 0.14 . 1 . . . . . 43 THR CB . 27093 1 376 . 1 1 46 46 THR CG2 C 13 22.61 0.03 . 1 . . . . . 43 THR CG2 . 27093 1 377 . 1 1 46 46 THR N N 15 117.97 0.03 . 1 . . . . . 43 THR N . 27093 1 378 . 1 1 47 47 LEU H H 1 8.19 0.01 . 1 . . . . . 44 LEU H . 27093 1 379 . 1 1 47 47 LEU HA H 1 3.97 0.01 . 1 . . . . . 44 LEU HA . 27093 1 380 . 1 1 47 47 LEU HB2 H 1 1.72 0.02 . 2 . . . . . 44 LEU HB2 . 27093 1 381 . 1 1 47 47 LEU HB3 H 1 1.72 0.02 . 2 . . . . . 44 LEU HB3 . 27093 1 382 . 1 1 47 47 LEU HD11 H 1 0.87 0.01 . 2 . . . . . 44 LEU HD1 . 27093 1 383 . 1 1 47 47 LEU HD12 H 1 0.87 0.01 . 2 . . . . . 44 LEU HD1 . 27093 1 384 . 1 1 47 47 LEU HD13 H 1 0.87 0.01 . 2 . . . . . 44 LEU HD1 . 27093 1 385 . 1 1 47 47 LEU HD21 H 1 0.87 0.01 . 2 . . . . . 44 LEU HD2 . 27093 1 386 . 1 1 47 47 LEU HD22 H 1 0.87 0.01 . 2 . . . . . 44 LEU HD2 . 27093 1 387 . 1 1 47 47 LEU HD23 H 1 0.87 0.01 . 2 . . . . . 44 LEU HD2 . 27093 1 388 . 1 1 47 47 LEU C C 13 178.15 0.01 . 1 . . . . . 44 LEU C . 27093 1 389 . 1 1 47 47 LEU CA C 13 58.80 0.10 . 1 . . . . . 44 LEU CA . 27093 1 390 . 1 1 47 47 LEU CB C 13 41.59 0.07 . 1 . . . . . 44 LEU CB . 27093 1 391 . 1 1 47 47 LEU CG C 13 27.08 0.01 . 1 . . . . . 44 LEU CG . 27093 1 392 . 1 1 47 47 LEU CD1 C 13 24.77 0.10 . 2 . . . . . 44 LEU CD1 . 27093 1 393 . 1 1 47 47 LEU CD2 C 13 24.63 0.01 . 2 . . . . . 44 LEU CD2 . 27093 1 394 . 1 1 47 47 LEU N N 15 121.39 0.05 . 1 . . . . . 44 LEU N . 27093 1 395 . 1 1 48 48 SER H H 1 8.24 0.01 . 1 . . . . . 45 SER H . 27093 1 396 . 1 1 48 48 SER HA H 1 4.07 0.01 . 1 . . . . . 45 SER HA . 27093 1 397 . 1 1 48 48 SER C C 13 176.83 0.02 . 1 . . . . . 45 SER C . 27093 1 398 . 1 1 48 48 SER CA C 13 62.36 0.05 . 1 . . . . . 45 SER CA . 27093 1 399 . 1 1 48 48 SER N N 15 114.08 0.11 . 1 . . . . . 45 SER N . 27093 1 400 . 1 1 49 49 ILE H H 1 7.82 0.01 . 1 . . . . . 46 ILE H . 27093 1 401 . 1 1 49 49 ILE HA H 1 3.77 0.01 . 1 . . . . . 46 ILE HA . 27093 1 402 . 1 1 49 49 ILE HB H 1 2.09 0.01 . 1 . . . . . 46 ILE HB . 27093 1 403 . 1 1 49 49 ILE HG12 H 1 1.81 0.04 . 2 . . . . . 46 ILE HG12 . 27093 1 404 . 1 1 49 49 ILE HG13 H 1 1.18 0.01 . 2 . . . . . 46 ILE HG13 . 27093 1 405 . 1 1 49 49 ILE HG21 H 1 0.95 0.01 . 1 . . . . . 46 ILE HG2 . 27093 1 406 . 1 1 49 49 ILE HG22 H 1 0.95 0.01 . 1 . . . . . 46 ILE HG2 . 27093 1 407 . 1 1 49 49 ILE HG23 H 1 0.95 0.01 . 1 . . . . . 46 ILE HG2 . 27093 1 408 . 1 1 49 49 ILE HD11 H 1 0.90 0.01 . 1 . . . . . 46 ILE HD1 . 27093 1 409 . 1 1 49 49 ILE HD12 H 1 0.90 0.01 . 1 . . . . . 46 ILE HD1 . 27093 1 410 . 1 1 49 49 ILE HD13 H 1 0.90 0.01 . 1 . . . . . 46 ILE HD1 . 27093 1 411 . 1 1 49 49 ILE C C 13 177.71 0.01 . 1 . . . . . 46 ILE C . 27093 1 412 . 1 1 49 49 ILE CA C 13 65.06 0.09 . 1 . . . . . 46 ILE CA . 27093 1 413 . 1 1 49 49 ILE CB C 13 38.04 0.05 . 1 . . . . . 46 ILE CB . 27093 1 414 . 1 1 49 49 ILE CG1 C 13 29.28 0.05 . 1 . . . . . 46 ILE CG1 . 27093 1 415 . 1 1 49 49 ILE CG2 C 13 17.44 0.03 . 1 . . . . . 46 ILE CG2 . 27093 1 416 . 1 1 49 49 ILE CD1 C 13 13.83 0.04 . 1 . . . . . 46 ILE CD1 . 27093 1 417 . 1 1 49 49 ILE N N 15 122.09 0.03 . 1 . . . . . 46 ILE N . 27093 1 418 . 1 1 50 50 CYS H H 1 7.98 0.01 . 1 . . . . . 47 CYS H . 27093 1 419 . 1 1 50 50 CYS HA H 1 4.02 0.01 . 1 . . . . . 47 CYS HA . 27093 1 420 . 1 1 50 50 CYS HB2 H 1 3.24 0.01 . 2 . . . . . 47 CYS HB2 . 27093 1 421 . 1 1 50 50 CYS HB3 H 1 2.63 0.01 . 2 . . . . . 47 CYS HB3 . 27093 1 422 . 1 1 50 50 CYS C C 13 176.64 0.01 . 1 . . . . . 47 CYS C . 27093 1 423 . 1 1 50 50 CYS CA C 13 64.63 0.04 . 1 . . . . . 47 CYS CA . 27093 1 424 . 1 1 50 50 CYS CB C 13 26.93 0.04 . 1 . . . . . 47 CYS CB . 27093 1 425 . 1 1 50 50 CYS N N 15 117.78 0.03 . 1 . . . . . 47 CYS N . 27093 1 426 . 1 1 51 51 VAL H H 1 8.29 0.01 . 1 . . . . . 48 VAL H . 27093 1 427 . 1 1 51 51 VAL HA H 1 3.54 0.01 . 1 . . . . . 48 VAL HA . 27093 1 428 . 1 1 51 51 VAL HB H 1 2.19 0.01 . 1 . . . . . 48 VAL HB . 27093 1 429 . 1 1 51 51 VAL HG11 H 1 1.03 0.01 . 2 . . . . . 48 VAL HG1 . 27093 1 430 . 1 1 51 51 VAL HG12 H 1 1.03 0.01 . 2 . . . . . 48 VAL HG1 . 27093 1 431 . 1 1 51 51 VAL HG13 H 1 1.03 0.01 . 2 . . . . . 48 VAL HG1 . 27093 1 432 . 1 1 51 51 VAL HG21 H 1 0.94 0.01 . 2 . . . . . 48 VAL HG2 . 27093 1 433 . 1 1 51 51 VAL HG22 H 1 0.94 0.01 . 2 . . . . . 48 VAL HG2 . 27093 1 434 . 1 1 51 51 VAL HG23 H 1 0.94 0.01 . 2 . . . . . 48 VAL HG2 . 27093 1 435 . 1 1 51 51 VAL C C 13 177.57 0.01 . 1 . . . . . 48 VAL C . 27093 1 436 . 1 1 51 51 VAL CA C 13 67.17 0.03 . 1 . . . . . 48 VAL CA . 27093 1 437 . 1 1 51 51 VAL CB C 13 31.66 0.07 . 1 . . . . . 48 VAL CB . 27093 1 438 . 1 1 51 51 VAL CG1 C 13 23.15 0.02 . 2 . . . . . 48 VAL CG1 . 27093 1 439 . 1 1 51 51 VAL CG2 C 13 21.61 0.03 . 2 . . . . . 48 VAL CG2 . 27093 1 440 . 1 1 51 51 VAL N N 15 118.61 0.02 . 1 . . . . . 48 VAL N . 27093 1 441 . 1 1 52 52 ARG H H 1 7.78 0.01 . 1 . . . . . 49 ARG H . 27093 1 442 . 1 1 52 52 ARG C C 13 179.23 0.01 . 1 . . . . . 49 ARG C . 27093 1 443 . 1 1 52 52 ARG CA C 13 59.09 0.01 . 1 . . . . . 49 ARG CA . 27093 1 444 . 1 1 52 52 ARG CB C 13 29.98 0.04 . 1 . . . . . 49 ARG CB . 27093 1 445 . 1 1 52 52 ARG N N 15 119.16 0.04 . 1 . . . . . 49 ARG N . 27093 1 446 . 1 1 53 53 LEU H H 1 8.18 0.01 . 1 . . . . . 50 LEU H . 27093 1 447 . 1 1 53 53 LEU HA H 1 4.12 0.01 . 1 . . . . . 50 LEU HA . 27093 1 448 . 1 1 53 53 LEU HB2 H 1 1.98 0.01 . 2 . . . . . 50 LEU HB2 . 27093 1 449 . 1 1 53 53 LEU HB3 H 1 1.51 0.01 . 2 . . . . . 50 LEU HB3 . 27093 1 450 . 1 1 53 53 LEU HG H 1 1.91 0.01 . 1 . . . . . 50 LEU HG . 27093 1 451 . 1 1 53 53 LEU HD11 H 1 0.87 0.01 . 2 . . . . . 50 LEU HD1 . 27093 1 452 . 1 1 53 53 LEU HD12 H 1 0.87 0.01 . 2 . . . . . 50 LEU HD1 . 27093 1 453 . 1 1 53 53 LEU HD13 H 1 0.87 0.01 . 2 . . . . . 50 LEU HD1 . 27093 1 454 . 1 1 53 53 LEU HD21 H 1 0.86 0.01 . 2 . . . . . 50 LEU HD2 . 27093 1 455 . 1 1 53 53 LEU HD22 H 1 0.86 0.01 . 2 . . . . . 50 LEU HD2 . 27093 1 456 . 1 1 53 53 LEU HD23 H 1 0.86 0.01 . 2 . . . . . 50 LEU HD2 . 27093 1 457 . 1 1 53 53 LEU C C 13 178.94 0.02 . 1 . . . . . 50 LEU C . 27093 1 458 . 1 1 53 53 LEU CA C 13 57.91 0.05 . 1 . . . . . 50 LEU CA . 27093 1 459 . 1 1 53 53 LEU CB C 13 41.93 0.09 . 1 . . . . . 50 LEU CB . 27093 1 460 . 1 1 53 53 LEU CG C 13 26.90 0.01 . 1 . . . . . 50 LEU CG . 27093 1 461 . 1 1 53 53 LEU CD1 C 13 25.70 0.17 . 2 . . . . . 50 LEU CD1 . 27093 1 462 . 1 1 53 53 LEU CD2 C 13 23.64 0.01 . 2 . . . . . 50 LEU CD2 . 27093 1 463 . 1 1 53 53 LEU N N 15 118.80 0.03 . 1 . . . . . 50 LEU N . 27093 1 464 . 1 1 54 54 CYS H H 1 7.84 0.01 . 1 . . . . . 51 CYS H . 27093 1 465 . 1 1 54 54 CYS HA H 1 4.22 0.01 . 1 . . . . . 51 CYS HA . 27093 1 466 . 1 1 54 54 CYS HB2 H 1 3.10 0.01 . 2 . . . . . 51 CYS HB2 . 27093 1 467 . 1 1 54 54 CYS HB3 H 1 2.77 0.01 . 2 . . . . . 51 CYS HB3 . 27093 1 468 . 1 1 54 54 CYS C C 13 176.24 0.01 . 1 . . . . . 51 CYS C . 27093 1 469 . 1 1 54 54 CYS CA C 13 62.81 0.03 . 1 . . . . . 51 CYS CA . 27093 1 470 . 1 1 54 54 CYS CB C 13 27.44 0.05 . 1 . . . . . 51 CYS CB . 27093 1 471 . 1 1 54 54 CYS N N 15 115.81 0.03 . 1 . . . . . 51 CYS N . 27093 1 472 . 1 1 55 55 GLU H H 1 8.07 0.01 . 1 . . . . . 52 GLU H . 27093 1 473 . 1 1 55 55 GLU HA H 1 4.04 0.01 . 1 . . . . . 52 GLU HA . 27093 1 474 . 1 1 55 55 GLU HB2 H 1 2.19 0.01 . 2 . . . . . 52 GLU HB2 . 27093 1 475 . 1 1 55 55 GLU HB3 H 1 2.14 0.01 . 2 . . . . . 52 GLU HB3 . 27093 1 476 . 1 1 55 55 GLU HG2 H 1 2.40 0.01 . 2 . . . . . 52 GLU HG2 . 27093 1 477 . 1 1 55 55 GLU HG3 H 1 2.20 0.01 . 2 . . . . . 52 GLU HG3 . 27093 1 478 . 1 1 55 55 GLU C C 13 177.52 0.01 . 1 . . . . . 52 GLU C . 27093 1 479 . 1 1 55 55 GLU CA C 13 58.85 0.05 . 1 . . . . . 52 GLU CA . 27093 1 480 . 1 1 55 55 GLU CB C 13 30.30 0.08 . 1 . . . . . 52 GLU CB . 27093 1 481 . 1 1 55 55 GLU CG C 13 36.64 0.07 . 1 . . . . . 52 GLU CG . 27093 1 482 . 1 1 55 55 GLU N N 15 118.51 0.03 . 1 . . . . . 52 GLU N . 27093 1 483 . 1 1 56 56 GLN H H 1 7.87 0.01 . 1 . . . . . 53 GLN H . 27093 1 484 . 1 1 56 56 GLN HA H 1 4.29 0.01 . 1 . . . . . 53 GLN HA . 27093 1 485 . 1 1 56 56 GLN HB2 H 1 2.23 0.01 . 2 . . . . . 53 GLN HB2 . 27093 1 486 . 1 1 56 56 GLN HB3 H 1 2.06 0.01 . 2 . . . . . 53 GLN HB3 . 27093 1 487 . 1 1 56 56 GLN HG2 H 1 2.44 0.01 . 2 . . . . . 53 GLN HG2 . 27093 1 488 . 1 1 56 56 GLN HG3 H 1 2.44 0.01 . 2 . . . . . 53 GLN HG3 . 27093 1 489 . 1 1 56 56 GLN HE21 H 1 7.48 0.01 . 2 . . . . . 53 GLN HE21 . 27093 1 490 . 1 1 56 56 GLN HE22 H 1 6.70 0.01 . 2 . . . . . 53 GLN HE22 . 27093 1 491 . 1 1 56 56 GLN C C 13 176.74 0.01 . 1 . . . . . 53 GLN C . 27093 1 492 . 1 1 56 56 GLN CA C 13 56.40 0.04 . 1 . . . . . 53 GLN CA . 27093 1 493 . 1 1 56 56 GLN CB C 13 29.46 0.05 . 1 . . . . . 53 GLN CB . 27093 1 494 . 1 1 56 56 GLN CG C 13 34.11 0.07 . 1 . . . . . 53 GLN CG . 27093 1 495 . 1 1 56 56 GLN N N 15 115.35 0.03 . 1 . . . . . 53 GLN N . 27093 1 496 . 1 1 56 56 GLN NE2 N 15 111.20 0.01 . 1 . . . . . 53 GLN NE2 . 27093 1 497 . 1 1 57 57 GLY H H 1 7.98 0.01 . 1 . . . . . 54 GLY H . 27093 1 498 . 1 1 57 57 GLY HA2 H 1 4.00 0.01 . 2 . . . . . 54 GLY HA2 . 27093 1 499 . 1 1 57 57 GLY HA3 H 1 3.88 0.01 . 2 . . . . . 54 GLY HA3 . 27093 1 500 . 1 1 57 57 GLY C C 13 172.84 0.01 . 1 . . . . . 54 GLY C . 27093 1 501 . 1 1 57 57 GLY CA C 13 45.48 0.02 . 1 . . . . . 54 GLY CA . 27093 1 502 . 1 1 57 57 GLY N N 15 106.61 0.05 . 1 . . . . . 54 GLY N . 27093 1 503 . 1 1 58 58 ILE H H 1 7.72 0.01 . 1 . . . . . 55 ILE H . 27093 1 504 . 1 1 58 58 ILE HA H 1 4.19 0.01 . 1 . . . . . 55 ILE HA . 27093 1 505 . 1 1 58 58 ILE HB H 1 1.83 0.01 . 1 . . . . . 55 ILE HB . 27093 1 506 . 1 1 58 58 ILE HG12 H 1 1.52 0.01 . 2 . . . . . 55 ILE HG12 . 27093 1 507 . 1 1 58 58 ILE HG13 H 1 1.16 0.01 . 2 . . . . . 55 ILE HG13 . 27093 1 508 . 1 1 58 58 ILE HG21 H 1 0.86 0.01 . 1 . . . . . 55 ILE HG2 . 27093 1 509 . 1 1 58 58 ILE HG22 H 1 0.86 0.01 . 1 . . . . . 55 ILE HG2 . 27093 1 510 . 1 1 58 58 ILE HG23 H 1 0.86 0.01 . 1 . . . . . 55 ILE HG2 . 27093 1 511 . 1 1 58 58 ILE HD11 H 1 0.83 0.01 . 1 . . . . . 55 ILE HD1 . 27093 1 512 . 1 1 58 58 ILE HD12 H 1 0.83 0.01 . 1 . . . . . 55 ILE HD1 . 27093 1 513 . 1 1 58 58 ILE HD13 H 1 0.83 0.01 . 1 . . . . . 55 ILE HD1 . 27093 1 514 . 1 1 58 58 ILE C C 13 174.14 0.01 . 1 . . . . . 55 ILE C . 27093 1 515 . 1 1 58 58 ILE CA C 13 60.12 0.04 . 1 . . . . . 55 ILE CA . 27093 1 516 . 1 1 58 58 ILE CB C 13 38.86 0.04 . 1 . . . . . 55 ILE CB . 27093 1 517 . 1 1 58 58 ILE CG1 C 13 27.75 0.04 . 1 . . . . . 55 ILE CG1 . 27093 1 518 . 1 1 58 58 ILE CG2 C 13 17.81 0.04 . 1 . . . . . 55 ILE CG2 . 27093 1 519 . 1 1 58 58 ILE CD1 C 13 13.38 0.06 . 1 . . . . . 55 ILE CD1 . 27093 1 520 . 1 1 58 58 ILE N N 15 118.25 0.03 . 1 . . . . . 55 ILE N . 27093 1 521 . 1 1 59 59 ASN H H 1 8.13 0.01 . 1 . . . . . 56 ASN H . 27093 1 522 . 1 1 59 59 ASN HA H 1 4.91 0.01 . 1 . . . . . 56 ASN HA . 27093 1 523 . 1 1 59 59 ASN HB2 H 1 3.00 0.01 . 2 . . . . . 56 ASN HB2 . 27093 1 524 . 1 1 59 59 ASN HB3 H 1 2.93 0.01 . 2 . . . . . 56 ASN HB3 . 27093 1 525 . 1 1 59 59 ASN HD21 H 1 7.73 0.01 . 2 . . . . . 56 ASN HD21 . 27093 1 526 . 1 1 59 59 ASN HD22 H 1 7.06 0.01 . 2 . . . . . 56 ASN HD22 . 27093 1 527 . 1 1 59 59 ASN C C 13 174.25 0.01 . 1 . . . . . 56 ASN C . 27093 1 528 . 1 1 59 59 ASN CA C 13 51.59 0.02 . 1 . . . . . 56 ASN CA . 27093 1 529 . 1 1 59 59 ASN CB C 13 38.67 0.03 . 1 . . . . . 56 ASN CB . 27093 1 530 . 1 1 59 59 ASN N N 15 124.19 0.02 . 1 . . . . . 56 ASN N . 27093 1 531 . 1 1 59 59 ASN ND2 N 15 113.62 0.01 . 1 . . . . . 56 ASN ND2 . 27093 1 532 . 1 1 60 60 PRO HA H 1 4.18 0.01 . 1 . . . . . 57 PRO HA . 27093 1 533 . 1 1 60 60 PRO HB2 H 1 2.35 0.01 . 2 . . . . . 57 PRO HB2 . 27093 1 534 . 1 1 60 60 PRO HB3 H 1 2.03 0.01 . 2 . . . . . 57 PRO HB3 . 27093 1 535 . 1 1 60 60 PRO HG2 H 1 2.20 0.01 . 2 . . . . . 57 PRO HG2 . 27093 1 536 . 1 1 60 60 PRO HG3 H 1 2.02 0.01 . 2 . . . . . 57 PRO HG3 . 27093 1 537 . 1 1 60 60 PRO HD2 H 1 3.98 0.03 . 2 . . . . . 57 PRO HD2 . 27093 1 538 . 1 1 60 60 PRO HD3 H 1 3.92 0.01 . 2 . . . . . 57 PRO HD3 . 27093 1 539 . 1 1 60 60 PRO C C 13 178.46 0.01 . 1 . . . . . 57 PRO C . 27093 1 540 . 1 1 60 60 PRO CA C 13 65.78 0.03 . 1 . . . . . 57 PRO CA . 27093 1 541 . 1 1 60 60 PRO CB C 13 32.16 0.07 . 1 . . . . . 57 PRO CB . 27093 1 542 . 1 1 60 60 PRO CG C 13 27.90 0.06 . 1 . . . . . 57 PRO CG . 27093 1 543 . 1 1 60 60 PRO CD C 13 50.94 0.05 . 1 . . . . . 57 PRO CD . 27093 1 544 . 1 1 61 61 GLU H H 1 8.53 0.01 . 1 . . . . . 58 GLU H . 27093 1 545 . 1 1 61 61 GLU HA H 1 4.11 0.01 . 1 . . . . . 58 GLU HA . 27093 1 546 . 1 1 61 61 GLU HB2 H 1 2.05 0.01 . 2 . . . . . 58 GLU HB2 . 27093 1 547 . 1 1 61 61 GLU HB3 H 1 2.05 0.01 . 2 . . . . . 58 GLU HB3 . 27093 1 548 . 1 1 61 61 GLU HG2 H 1 2.30 0.01 . 2 . . . . . 58 GLU HG2 . 27093 1 549 . 1 1 61 61 GLU HG3 H 1 2.30 0.01 . 2 . . . . . 58 GLU HG3 . 27093 1 550 . 1 1 61 61 GLU C C 13 178.86 0.01 . 1 . . . . . 58 GLU C . 27093 1 551 . 1 1 61 61 GLU CA C 13 59.31 0.07 . 1 . . . . . 58 GLU CA . 27093 1 552 . 1 1 61 61 GLU CB C 13 29.20 0.16 . 1 . . . . . 58 GLU CB . 27093 1 553 . 1 1 61 61 GLU CG C 13 36.66 0.05 . 1 . . . . . 58 GLU CG . 27093 1 554 . 1 1 61 61 GLU N N 15 118.17 0.03 . 1 . . . . . 58 GLU N . 27093 1 555 . 1 1 62 62 ALA H H 1 7.95 0.01 . 1 . . . . . 59 ALA H . 27093 1 556 . 1 1 62 62 ALA HA H 1 4.21 0.01 . 1 . . . . . 59 ALA HA . 27093 1 557 . 1 1 62 62 ALA HB1 H 1 1.52 0.01 . 1 . . . . . 59 ALA HB . 27093 1 558 . 1 1 62 62 ALA HB2 H 1 1.52 0.01 . 1 . . . . . 59 ALA HB . 27093 1 559 . 1 1 62 62 ALA HB3 H 1 1.52 0.01 . 1 . . . . . 59 ALA HB . 27093 1 560 . 1 1 62 62 ALA C C 13 179.62 0.01 . 1 . . . . . 59 ALA C . 27093 1 561 . 1 1 62 62 ALA CA C 13 54.59 0.01 . 1 . . . . . 59 ALA CA . 27093 1 562 . 1 1 62 62 ALA CB C 13 18.67 0.01 . 1 . . . . . 59 ALA CB . 27093 1 563 . 1 1 62 62 ALA N N 15 122.89 0.04 . 1 . . . . . 59 ALA N . 27093 1 564 . 1 1 63 63 LEU H H 1 7.84 0.01 . 1 . . . . . 60 LEU H . 27093 1 565 . 1 1 63 63 LEU HA H 1 4.04 0.01 . 1 . . . . . 60 LEU HA . 27093 1 566 . 1 1 63 63 LEU HB2 H 1 1.68 0.02 . 2 . . . . . 60 LEU HB2 . 27093 1 567 . 1 1 63 63 LEU HB3 H 1 1.68 0.02 . 2 . . . . . 60 LEU HB3 . 27093 1 568 . 1 1 63 63 LEU HD11 H 1 0.89 0.01 . 2 . . . . . 60 LEU HD1 . 27093 1 569 . 1 1 63 63 LEU HD12 H 1 0.89 0.01 . 2 . . . . . 60 LEU HD1 . 27093 1 570 . 1 1 63 63 LEU HD13 H 1 0.89 0.01 . 2 . . . . . 60 LEU HD1 . 27093 1 571 . 1 1 63 63 LEU HD21 H 1 0.89 0.01 . 2 . . . . . 60 LEU HD2 . 27093 1 572 . 1 1 63 63 LEU HD22 H 1 0.89 0.01 . 2 . . . . . 60 LEU HD2 . 27093 1 573 . 1 1 63 63 LEU HD23 H 1 0.89 0.01 . 2 . . . . . 60 LEU HD2 . 27093 1 574 . 1 1 63 63 LEU C C 13 178.36 0.01 . 1 . . . . . 60 LEU C . 27093 1 575 . 1 1 63 63 LEU CA C 13 57.67 0.12 . 1 . . . . . 60 LEU CA . 27093 1 576 . 1 1 63 63 LEU CB C 13 41.66 0.05 . 1 . . . . . 60 LEU CB . 27093 1 577 . 1 1 63 63 LEU CD1 C 13 24.56 0.11 . 2 . . . . . 60 LEU CD1 . 27093 1 578 . 1 1 63 63 LEU CD2 C 13 24.56 0.11 . 2 . . . . . 60 LEU CD2 . 27093 1 579 . 1 1 63 63 LEU N N 15 117.18 0.03 . 1 . . . . . 60 LEU N . 27093 1 580 . 1 1 64 64 SER H H 1 8.18 0.01 . 1 . . . . . 61 SER H . 27093 1 581 . 1 1 64 64 SER HA H 1 4.09 0.01 . 1 . . . . . 61 SER HA . 27093 1 582 . 1 1 64 64 SER C C 13 177.00 0.01 . 1 . . . . . 61 SER C . 27093 1 583 . 1 1 64 64 SER CA C 13 62.04 0.02 . 1 . . . . . 61 SER CA . 27093 1 584 . 1 1 64 64 SER N N 15 113.77 0.03 . 1 . . . . . 61 SER N . 27093 1 585 . 1 1 65 65 SER H H 1 7.92 0.01 . 1 . . . . . 62 SER H . 27093 1 586 . 1 1 65 65 SER HA H 1 4.27 0.01 . 1 . . . . . 62 SER HA . 27093 1 587 . 1 1 65 65 SER HB2 H 1 4.06 0.01 . 2 . . . . . 62 SER HB2 . 27093 1 588 . 1 1 65 65 SER HB3 H 1 3.99 0.01 . 2 . . . . . 62 SER HB3 . 27093 1 589 . 1 1 65 65 SER C C 13 176.23 0.04 . 1 . . . . . 62 SER C . 27093 1 590 . 1 1 65 65 SER CA C 13 62.16 0.05 . 1 . . . . . 62 SER CA . 27093 1 591 . 1 1 65 65 SER CB C 13 63.01 0.19 . 1 . . . . . 62 SER CB . 27093 1 592 . 1 1 65 65 SER N N 15 116.60 0.04 . 1 . . . . . 62 SER N . 27093 1 593 . 1 1 66 66 VAL H H 1 7.78 0.01 . 1 . . . . . 63 VAL H . 27093 1 594 . 1 1 66 66 VAL HA H 1 3.71 0.01 . 1 . . . . . 63 VAL HA . 27093 1 595 . 1 1 66 66 VAL HB H 1 2.30 0.01 . 1 . . . . . 63 VAL HB . 27093 1 596 . 1 1 66 66 VAL HG11 H 1 1.07 0.01 . 2 . . . . . 63 VAL HG1 . 27093 1 597 . 1 1 66 66 VAL HG12 H 1 1.07 0.01 . 2 . . . . . 63 VAL HG1 . 27093 1 598 . 1 1 66 66 VAL HG13 H 1 1.07 0.01 . 2 . . . . . 63 VAL HG1 . 27093 1 599 . 1 1 66 66 VAL HG21 H 1 0.93 0.01 . 2 . . . . . 63 VAL HG2 . 27093 1 600 . 1 1 66 66 VAL HG22 H 1 0.93 0.01 . 2 . . . . . 63 VAL HG2 . 27093 1 601 . 1 1 66 66 VAL HG23 H 1 0.93 0.01 . 2 . . . . . 63 VAL HG2 . 27093 1 602 . 1 1 66 66 VAL C C 13 177.37 0.01 . 1 . . . . . 63 VAL C . 27093 1 603 . 1 1 66 66 VAL CA C 13 66.46 0.03 . 1 . . . . . 63 VAL CA . 27093 1 604 . 1 1 66 66 VAL CB C 13 31.68 0.04 . 1 . . . . . 63 VAL CB . 27093 1 605 . 1 1 66 66 VAL CG1 C 13 23.01 0.03 . 2 . . . . . 63 VAL CG1 . 27093 1 606 . 1 1 66 66 VAL CG2 C 13 21.50 0.08 . 2 . . . . . 63 VAL CG2 . 27093 1 607 . 1 1 66 66 VAL N N 15 121.25 0.04 . 1 . . . . . 63 VAL N . 27093 1 608 . 1 1 67 67 ILE H H 1 8.11 0.01 . 1 . . . . . 64 ILE H . 27093 1 609 . 1 1 67 67 ILE HA H 1 3.62 0.01 . 1 . . . . . 64 ILE HA . 27093 1 610 . 1 1 67 67 ILE HB H 1 2.00 0.01 . 1 . . . . . 64 ILE HB . 27093 1 611 . 1 1 67 67 ILE HG12 H 1 1.70 0.01 . 2 . . . . . 64 ILE HG12 . 27093 1 612 . 1 1 67 67 ILE HG13 H 1 1.19 0.01 . 2 . . . . . 64 ILE HG13 . 27093 1 613 . 1 1 67 67 ILE HG21 H 1 0.93 0.01 . 1 . . . . . 64 ILE HG2 . 27093 1 614 . 1 1 67 67 ILE HG22 H 1 0.93 0.01 . 1 . . . . . 64 ILE HG2 . 27093 1 615 . 1 1 67 67 ILE HG23 H 1 0.93 0.01 . 1 . . . . . 64 ILE HG2 . 27093 1 616 . 1 1 67 67 ILE HD11 H 1 0.83 0.01 . 1 . . . . . 64 ILE HD1 . 27093 1 617 . 1 1 67 67 ILE HD12 H 1 0.83 0.01 . 1 . . . . . 64 ILE HD1 . 27093 1 618 . 1 1 67 67 ILE HD13 H 1 0.83 0.01 . 1 . . . . . 64 ILE HD1 . 27093 1 619 . 1 1 67 67 ILE C C 13 177.70 0.01 . 1 . . . . . 64 ILE C . 27093 1 620 . 1 1 67 67 ILE CA C 13 65.17 0.06 . 1 . . . . . 64 ILE CA . 27093 1 621 . 1 1 67 67 ILE CB C 13 37.40 0.09 . 1 . . . . . 64 ILE CB . 27093 1 622 . 1 1 67 67 ILE CG1 C 13 29.35 0.06 . 1 . . . . . 64 ILE CG1 . 27093 1 623 . 1 1 67 67 ILE CG2 C 13 17.64 0.05 . 1 . . . . . 64 ILE CG2 . 27093 1 624 . 1 1 67 67 ILE CD1 C 13 12.95 0.12 . 1 . . . . . 64 ILE CD1 . 27093 1 625 . 1 1 67 67 ILE N N 15 119.44 0.03 . 1 . . . . . 64 ILE N . 27093 1 626 . 1 1 68 68 LYS H H 1 7.98 0.01 . 1 . . . . . 65 LYS H . 27093 1 627 . 1 1 68 68 LYS HA H 1 3.99 0.01 . 1 . . . . . 65 LYS HA . 27093 1 628 . 1 1 68 68 LYS HB2 H 1 1.96 0.02 . 2 . . . . . 65 LYS HB2 . 27093 1 629 . 1 1 68 68 LYS HB3 H 1 1.96 0.02 . 2 . . . . . 65 LYS HB3 . 27093 1 630 . 1 1 68 68 LYS HG2 H 1 1.61 0.01 . 2 . . . . . 65 LYS HG2 . 27093 1 631 . 1 1 68 68 LYS HG3 H 1 1.42 0.02 . 2 . . . . . 65 LYS HG3 . 27093 1 632 . 1 1 68 68 LYS HD2 H 1 1.71 0.01 . 2 . . . . . 65 LYS HD2 . 27093 1 633 . 1 1 68 68 LYS HD3 H 1 1.71 0.01 . 2 . . . . . 65 LYS HD3 . 27093 1 634 . 1 1 68 68 LYS HE2 H 1 2.96 0.01 . 2 . . . . . 65 LYS HE2 . 27093 1 635 . 1 1 68 68 LYS HE3 H 1 2.96 0.01 . 2 . . . . . 65 LYS HE3 . 27093 1 636 . 1 1 68 68 LYS C C 13 179.39 0.01 . 1 . . . . . 65 LYS C . 27093 1 637 . 1 1 68 68 LYS CA C 13 60.12 0.12 . 1 . . . . . 65 LYS CA . 27093 1 638 . 1 1 68 68 LYS CB C 13 32.41 0.04 . 1 . . . . . 65 LYS CB . 27093 1 639 . 1 1 68 68 LYS CG C 13 25.38 0.08 . 1 . . . . . 65 LYS CG . 27093 1 640 . 1 1 68 68 LYS CD C 13 29.54 0.06 . 1 . . . . . 65 LYS CD . 27093 1 641 . 1 1 68 68 LYS CE C 13 42.14 0.05 . 1 . . . . . 65 LYS CE . 27093 1 642 . 1 1 68 68 LYS N N 15 119.47 0.02 . 1 . . . . . 65 LYS N . 27093 1 643 . 1 1 69 69 GLU H H 1 7.81 0.01 . 1 . . . . . 66 GLU H . 27093 1 644 . 1 1 69 69 GLU HA H 1 4.20 0.01 . 1 . . . . . 66 GLU HA . 27093 1 645 . 1 1 69 69 GLU HB2 H 1 2.09 0.02 . 2 . . . . . 66 GLU HB2 . 27093 1 646 . 1 1 69 69 GLU HB3 H 1 2.09 0.02 . 2 . . . . . 66 GLU HB3 . 27093 1 647 . 1 1 69 69 GLU HG2 H 1 2.48 0.01 . 2 . . . . . 66 GLU HG2 . 27093 1 648 . 1 1 69 69 GLU HG3 H 1 2.26 0.01 . 2 . . . . . 66 GLU HG3 . 27093 1 649 . 1 1 69 69 GLU C C 13 179.52 0.02 . 1 . . . . . 66 GLU C . 27093 1 650 . 1 1 69 69 GLU CA C 13 58.52 0.03 . 1 . . . . . 66 GLU CA . 27093 1 651 . 1 1 69 69 GLU CB C 13 29.29 0.08 . 1 . . . . . 66 GLU CB . 27093 1 652 . 1 1 69 69 GLU CG C 13 35.63 0.08 . 1 . . . . . 66 GLU CG . 27093 1 653 . 1 1 69 69 GLU N N 15 118.13 0.04 . 1 . . . . . 66 GLU N . 27093 1 654 . 1 1 70 70 LEU H H 1 8.41 0.01 . 1 . . . . . 67 LEU H . 27093 1 655 . 1 1 70 70 LEU HA H 1 4.07 0.01 . 1 . . . . . 67 LEU HA . 27093 1 656 . 1 1 70 70 LEU HB2 H 1 1.89 0.01 . 2 . . . . . 67 LEU HB2 . 27093 1 657 . 1 1 70 70 LEU HB3 H 1 1.60 0.01 . 2 . . . . . 67 LEU HB3 . 27093 1 658 . 1 1 70 70 LEU HG H 1 1.83 0.01 . 1 . . . . . 67 LEU HG . 27093 1 659 . 1 1 70 70 LEU HD11 H 1 0.84 0.01 . 2 . . . . . 67 LEU HD1 . 27093 1 660 . 1 1 70 70 LEU HD12 H 1 0.84 0.01 . 2 . . . . . 67 LEU HD1 . 27093 1 661 . 1 1 70 70 LEU HD13 H 1 0.84 0.01 . 2 . . . . . 67 LEU HD1 . 27093 1 662 . 1 1 70 70 LEU HD21 H 1 0.81 0.01 . 2 . . . . . 67 LEU HD2 . 27093 1 663 . 1 1 70 70 LEU HD22 H 1 0.81 0.01 . 2 . . . . . 67 LEU HD2 . 27093 1 664 . 1 1 70 70 LEU HD23 H 1 0.81 0.01 . 2 . . . . . 67 LEU HD2 . 27093 1 665 . 1 1 70 70 LEU C C 13 179.16 0.01 . 1 . . . . . 67 LEU C . 27093 1 666 . 1 1 70 70 LEU CA C 13 57.95 0.05 . 1 . . . . . 67 LEU CA . 27093 1 667 . 1 1 70 70 LEU CB C 13 41.77 0.08 . 1 . . . . . 67 LEU CB . 27093 1 668 . 1 1 70 70 LEU CG C 13 26.91 0.03 . 1 . . . . . 67 LEU CG . 27093 1 669 . 1 1 70 70 LEU CD1 C 13 25.27 0.17 . 2 . . . . . 67 LEU CD1 . 27093 1 670 . 1 1 70 70 LEU CD2 C 13 23.86 0.01 . 2 . . . . . 67 LEU CD2 . 27093 1 671 . 1 1 70 70 LEU N N 15 120.57 0.04 . 1 . . . . . 67 LEU N . 27093 1 672 . 1 1 71 71 ARG H H 1 8.43 0.01 . 1 . . . . . 68 ARG H . 27093 1 673 . 1 1 71 71 ARG HA H 1 4.00 0.01 . 1 . . . . . 68 ARG HA . 27093 1 674 . 1 1 71 71 ARG HB2 H 1 1.99 0.01 . 2 . . . . . 68 ARG HB2 . 27093 1 675 . 1 1 71 71 ARG HB3 H 1 1.92 0.01 . 2 . . . . . 68 ARG HB3 . 27093 1 676 . 1 1 71 71 ARG HG2 H 1 1.79 0.01 . 2 . . . . . 68 ARG HG2 . 27093 1 677 . 1 1 71 71 ARG HG3 H 1 1.61 0.01 . 2 . . . . . 68 ARG HG3 . 27093 1 678 . 1 1 71 71 ARG HD2 H 1 3.18 0.01 . 2 . . . . . 68 ARG HD2 . 27093 1 679 . 1 1 71 71 ARG HD3 H 1 3.18 0.01 . 2 . . . . . 68 ARG HD3 . 27093 1 680 . 1 1 71 71 ARG C C 13 178.59 0.01 . 1 . . . . . 68 ARG C . 27093 1 681 . 1 1 71 71 ARG CA C 13 59.62 0.13 . 1 . . . . . 68 ARG CA . 27093 1 682 . 1 1 71 71 ARG CB C 13 29.89 0.12 . 1 . . . . . 68 ARG CB . 27093 1 683 . 1 1 71 71 ARG CG C 13 27.65 0.09 . 1 . . . . . 68 ARG CG . 27093 1 684 . 1 1 71 71 ARG CD C 13 43.55 0.03 . 1 . . . . . 68 ARG CD . 27093 1 685 . 1 1 71 71 ARG N N 15 119.94 0.03 . 1 . . . . . 68 ARG N . 27093 1 686 . 1 1 72 72 LYS H H 1 7.83 0.01 . 1 . . . . . 69 LYS H . 27093 1 687 . 1 1 72 72 LYS HA H 1 4.10 0.01 . 1 . . . . . 69 LYS HA . 27093 1 688 . 1 1 72 72 LYS HB2 H 1 1.94 0.01 . 2 . . . . . 69 LYS HB2 . 27093 1 689 . 1 1 72 72 LYS HB3 H 1 1.94 0.01 . 2 . . . . . 69 LYS HB3 . 27093 1 690 . 1 1 72 72 LYS HG2 H 1 1.62 0.01 . 2 . . . . . 69 LYS HG2 . 27093 1 691 . 1 1 72 72 LYS HG3 H 1 1.46 0.02 . 2 . . . . . 69 LYS HG3 . 27093 1 692 . 1 1 72 72 LYS HD2 H 1 1.71 0.01 . 2 . . . . . 69 LYS HD2 . 27093 1 693 . 1 1 72 72 LYS HD3 H 1 1.71 0.01 . 2 . . . . . 69 LYS HD3 . 27093 1 694 . 1 1 72 72 LYS HE2 H 1 2.94 0.01 . 2 . . . . . 69 LYS HE2 . 27093 1 695 . 1 1 72 72 LYS HE3 H 1 2.94 0.01 . 2 . . . . . 69 LYS HE3 . 27093 1 696 . 1 1 72 72 LYS C C 13 179.04 0.01 . 1 . . . . . 69 LYS C . 27093 1 697 . 1 1 72 72 LYS CA C 13 59.08 0.07 . 1 . . . . . 69 LYS CA . 27093 1 698 . 1 1 72 72 LYS CB C 13 32.46 0.04 . 1 . . . . . 69 LYS CB . 27093 1 699 . 1 1 72 72 LYS CG C 13 25.16 0.09 . 1 . . . . . 69 LYS CG . 27093 1 700 . 1 1 72 72 LYS CD C 13 29.48 0.08 . 1 . . . . . 69 LYS CD . 27093 1 701 . 1 1 72 72 LYS CE C 13 42.06 0.06 . 1 . . . . . 69 LYS CE . 27093 1 702 . 1 1 72 72 LYS N N 15 119.04 0.03 . 1 . . . . . 69 LYS N . 27093 1 703 . 1 1 73 73 ALA H H 1 8.02 0.01 . 1 . . . . . 70 ALA H . 27093 1 704 . 1 1 73 73 ALA HA H 1 4.21 0.01 . 1 . . . . . 70 ALA HA . 27093 1 705 . 1 1 73 73 ALA HB1 H 1 1.52 0.01 . 1 . . . . . 70 ALA HB . 27093 1 706 . 1 1 73 73 ALA HB2 H 1 1.52 0.01 . 1 . . . . . 70 ALA HB . 27093 1 707 . 1 1 73 73 ALA HB3 H 1 1.52 0.01 . 1 . . . . . 70 ALA HB . 27093 1 708 . 1 1 73 73 ALA C C 13 178.83 0.01 . 1 . . . . . 70 ALA C . 27093 1 709 . 1 1 73 73 ALA CA C 13 54.58 0.02 . 1 . . . . . 70 ALA CA . 27093 1 710 . 1 1 73 73 ALA CB C 13 18.60 0.05 . 1 . . . . . 70 ALA CB . 27093 1 711 . 1 1 73 73 ALA N N 15 121.04 0.03 . 1 . . . . . 70 ALA N . 27093 1 712 . 1 1 74 74 THR H H 1 7.97 0.01 . 1 . . . . . 71 THR H . 27093 1 713 . 1 1 74 74 THR HA H 1 4.00 0.01 . 1 . . . . . 71 THR HA . 27093 1 714 . 1 1 74 74 THR HB H 1 4.31 0.01 . 1 . . . . . 71 THR HB . 27093 1 715 . 1 1 74 74 THR HG21 H 1 1.26 0.01 . 1 . . . . . 71 THR HG2 . 27093 1 716 . 1 1 74 74 THR HG22 H 1 1.26 0.01 . 1 . . . . . 71 THR HG2 . 27093 1 717 . 1 1 74 74 THR HG23 H 1 1.26 0.01 . 1 . . . . . 71 THR HG2 . 27093 1 718 . 1 1 74 74 THR C C 13 176.57 0.01 . 1 . . . . . 71 THR C . 27093 1 719 . 1 1 74 74 THR CA C 13 65.25 0.05 . 1 . . . . . 71 THR CA . 27093 1 720 . 1 1 74 74 THR CB C 13 68.98 0.05 . 1 . . . . . 71 THR CB . 27093 1 721 . 1 1 74 74 THR CG2 C 13 22.08 0.04 . 1 . . . . . 71 THR CG2 . 27093 1 722 . 1 1 74 74 THR N N 15 109.22 0.04 . 1 . . . . . 71 THR N . 27093 1 723 . 1 1 75 75 GLU H H 1 7.96 0.01 . 1 . . . . . 72 GLU H . 27093 1 724 . 1 1 75 75 GLU HA H 1 4.09 0.01 . 1 . . . . . 72 GLU HA . 27093 1 725 . 1 1 75 75 GLU HB2 H 1 2.10 0.01 . 2 . . . . . 72 GLU HB2 . 27093 1 726 . 1 1 75 75 GLU HB3 H 1 2.10 0.01 . 2 . . . . . 72 GLU HB3 . 27093 1 727 . 1 1 75 75 GLU HG2 H 1 2.40 0.01 . 2 . . . . . 72 GLU HG2 . 27093 1 728 . 1 1 75 75 GLU HG3 H 1 2.30 0.01 . 2 . . . . . 72 GLU HG3 . 27093 1 729 . 1 1 75 75 GLU C C 13 178.23 0.01 . 1 . . . . . 72 GLU C . 27093 1 730 . 1 1 75 75 GLU CA C 13 58.77 0.04 . 1 . . . . . 72 GLU CA . 27093 1 731 . 1 1 75 75 GLU CB C 13 29.62 0.06 . 1 . . . . . 72 GLU CB . 27093 1 732 . 1 1 75 75 GLU CG C 13 36.62 0.05 . 1 . . . . . 72 GLU CG . 27093 1 733 . 1 1 75 75 GLU N N 15 121.88 0.03 . 1 . . . . . 72 GLU N . 27093 1 734 . 1 1 76 76 ALA H H 1 7.84 0.01 . 1 . . . . . 73 ALA H . 27093 1 735 . 1 1 76 76 ALA HA H 1 4.25 0.01 . 1 . . . . . 73 ALA HA . 27093 1 736 . 1 1 76 76 ALA HB1 H 1 1.48 0.01 . 1 . . . . . 73 ALA HB . 27093 1 737 . 1 1 76 76 ALA HB2 H 1 1.48 0.01 . 1 . . . . . 73 ALA HB . 27093 1 738 . 1 1 76 76 ALA HB3 H 1 1.48 0.01 . 1 . . . . . 73 ALA HB . 27093 1 739 . 1 1 76 76 ALA C C 13 178.80 0.01 . 1 . . . . . 73 ALA C . 27093 1 740 . 1 1 76 76 ALA CA C 13 53.92 0.07 . 1 . . . . . 73 ALA CA . 27093 1 741 . 1 1 76 76 ALA CB C 13 18.75 0.04 . 1 . . . . . 73 ALA CB . 27093 1 742 . 1 1 76 76 ALA N N 15 121.67 0.03 . 1 . . . . . 73 ALA N . 27093 1 743 . 1 1 77 77 LEU H H 1 7.75 0.01 . 1 . . . . . 74 LEU H . 27093 1 744 . 1 1 77 77 LEU HA H 1 4.17 0.01 . 1 . . . . . 74 LEU HA . 27093 1 745 . 1 1 77 77 LEU HB2 H 1 1.78 0.01 . 2 . . . . . 74 LEU HB2 . 27093 1 746 . 1 1 77 77 LEU HB3 H 1 1.63 0.01 . 2 . . . . . 74 LEU HB3 . 27093 1 747 . 1 1 77 77 LEU HD11 H 1 0.91 0.01 . 2 . . . . . 74 LEU HD1 . 27093 1 748 . 1 1 77 77 LEU HD12 H 1 0.91 0.01 . 2 . . . . . 74 LEU HD1 . 27093 1 749 . 1 1 77 77 LEU HD13 H 1 0.91 0.01 . 2 . . . . . 74 LEU HD1 . 27093 1 750 . 1 1 77 77 LEU HD21 H 1 0.88 0.01 . 2 . . . . . 74 LEU HD2 . 27093 1 751 . 1 1 77 77 LEU HD22 H 1 0.88 0.01 . 2 . . . . . 74 LEU HD2 . 27093 1 752 . 1 1 77 77 LEU HD23 H 1 0.88 0.01 . 2 . . . . . 74 LEU HD2 . 27093 1 753 . 1 1 77 77 LEU C C 13 177.65 0.01 . 1 . . . . . 74 LEU C . 27093 1 754 . 1 1 77 77 LEU CA C 13 56.42 0.12 . 1 . . . . . 74 LEU CA . 27093 1 755 . 1 1 77 77 LEU CB C 13 41.95 0.05 . 1 . . . . . 74 LEU CB . 27093 1 756 . 1 1 77 77 LEU CG C 13 27.07 0.01 . 1 . . . . . 74 LEU CG . 27093 1 757 . 1 1 77 77 LEU CD1 C 13 25.11 0.07 . 2 . . . . . 74 LEU CD1 . 27093 1 758 . 1 1 77 77 LEU CD2 C 13 23.88 0.01 . 2 . . . . . 74 LEU CD2 . 27093 1 759 . 1 1 77 77 LEU N N 15 118.16 0.03 . 1 . . . . . 74 LEU N . 27093 1 760 . 1 1 78 78 LYS H H 1 7.79 0.01 . 1 . . . . . 75 LYS H . 27093 1 761 . 1 1 78 78 LYS HA H 1 4.16 0.01 . 1 . . . . . 75 LYS HA . 27093 1 762 . 1 1 78 78 LYS HB2 H 1 1.86 0.01 . 2 . . . . . 75 LYS HB2 . 27093 1 763 . 1 1 78 78 LYS HB3 H 1 1.86 0.01 . 2 . . . . . 75 LYS HB3 . 27093 1 764 . 1 1 78 78 LYS HG2 H 1 1.50 0.01 . 2 . . . . . 75 LYS HG2 . 27093 1 765 . 1 1 78 78 LYS HG3 H 1 1.46 0.02 . 2 . . . . . 75 LYS HG3 . 27093 1 766 . 1 1 78 78 LYS HD2 H 1 1.69 0.01 . 2 . . . . . 75 LYS HD2 . 27093 1 767 . 1 1 78 78 LYS HD3 H 1 1.69 0.01 . 2 . . . . . 75 LYS HD3 . 27093 1 768 . 1 1 78 78 LYS HE2 H 1 2.97 0.01 . 2 . . . . . 75 LYS HE2 . 27093 1 769 . 1 1 78 78 LYS HE3 H 1 2.97 0.01 . 2 . . . . . 75 LYS HE3 . 27093 1 770 . 1 1 78 78 LYS C C 13 177.19 0.01 . 1 . . . . . 75 LYS C . 27093 1 771 . 1 1 78 78 LYS CA C 13 57.52 0.08 . 1 . . . . . 75 LYS CA . 27093 1 772 . 1 1 78 78 LYS CB C 13 32.59 0.03 . 1 . . . . . 75 LYS CB . 27093 1 773 . 1 1 78 78 LYS CG C 13 24.88 0.08 . 1 . . . . . 75 LYS CG . 27093 1 774 . 1 1 78 78 LYS CD C 13 29.27 0.08 . 1 . . . . . 75 LYS CD . 27093 1 775 . 1 1 78 78 LYS CE C 13 42.14 0.03 . 1 . . . . . 75 LYS CE . 27093 1 776 . 1 1 78 78 LYS N N 15 119.59 0.05 . 1 . . . . . 75 LYS N . 27093 1 777 . 1 1 79 79 ALA H H 1 7.92 0.01 . 1 . . . . . 76 ALA H . 27093 1 778 . 1 1 79 79 ALA HA H 1 4.26 0.01 . 1 . . . . . 76 ALA HA . 27093 1 779 . 1 1 79 79 ALA HB1 H 1 1.42 0.02 . 1 . . . . . 76 ALA HB . 27093 1 780 . 1 1 79 79 ALA HB2 H 1 1.42 0.02 . 1 . . . . . 76 ALA HB . 27093 1 781 . 1 1 79 79 ALA HB3 H 1 1.42 0.02 . 1 . . . . . 76 ALA HB . 27093 1 782 . 1 1 79 79 ALA C C 13 178.11 0.01 . 1 . . . . . 76 ALA C . 27093 1 783 . 1 1 79 79 ALA CA C 13 53.21 0.06 . 1 . . . . . 76 ALA CA . 27093 1 784 . 1 1 79 79 ALA CB C 13 18.98 0.09 . 1 . . . . . 76 ALA CB . 27093 1 785 . 1 1 79 79 ALA N N 15 122.45 0.03 . 1 . . . . . 76 ALA N . 27093 1 786 . 1 1 80 80 ALA H H 1 7.97 0.01 . 1 . . . . . 77 ALA H . 27093 1 787 . 1 1 80 80 ALA HA H 1 4.26 0.02 . 1 . . . . . 77 ALA HA . 27093 1 788 . 1 1 80 80 ALA HB1 H 1 1.42 0.02 . 1 . . . . . 77 ALA HB . 27093 1 789 . 1 1 80 80 ALA HB2 H 1 1.42 0.02 . 1 . . . . . 77 ALA HB . 27093 1 790 . 1 1 80 80 ALA HB3 H 1 1.42 0.02 . 1 . . . . . 77 ALA HB . 27093 1 791 . 1 1 80 80 ALA C C 13 178.08 0.01 . 1 . . . . . 77 ALA C . 27093 1 792 . 1 1 80 80 ALA CA C 13 53.19 0.11 . 1 . . . . . 77 ALA CA . 27093 1 793 . 1 1 80 80 ALA CB C 13 19.09 0.01 . 1 . . . . . 77 ALA CB . 27093 1 794 . 1 1 80 80 ALA N N 15 121.44 0.02 . 1 . . . . . 77 ALA N . 27093 1 795 . 1 1 81 81 GLU H H 1 8.13 0.01 . 1 . . . . . 78 GLU H . 27093 1 796 . 1 1 81 81 GLU HA H 1 4.15 0.01 . 1 . . . . . 78 GLU HA . 27093 1 797 . 1 1 81 81 GLU HB2 H 1 2.06 0.01 . 2 . . . . . 78 GLU HB2 . 27093 1 798 . 1 1 81 81 GLU HB3 H 1 1.99 0.01 . 2 . . . . . 78 GLU HB3 . 27093 1 799 . 1 1 81 81 GLU HG2 H 1 2.29 0.01 . 2 . . . . . 78 GLU HG2 . 27093 1 800 . 1 1 81 81 GLU HG3 H 1 2.24 0.01 . 2 . . . . . 78 GLU HG3 . 27093 1 801 . 1 1 81 81 GLU C C 13 176.60 0.01 . 1 . . . . . 78 GLU C . 27093 1 802 . 1 1 81 81 GLU CA C 13 57.54 0.08 . 1 . . . . . 78 GLU CA . 27093 1 803 . 1 1 81 81 GLU CB C 13 30.14 0.08 . 1 . . . . . 78 GLU CB . 27093 1 804 . 1 1 81 81 GLU CG C 13 36.36 0.09 . 1 . . . . . 78 GLU CG . 27093 1 805 . 1 1 81 81 GLU N N 15 118.54 0.03 . 1 . . . . . 78 GLU N . 27093 1 806 . 1 1 82 82 ASN H H 1 8.16 0.01 . 1 . . . . . 79 ASN H . 27093 1 807 . 1 1 82 82 ASN HA H 1 4.70 0.01 . 1 . . . . . 79 ASN HA . 27093 1 808 . 1 1 82 82 ASN HB2 H 1 2.87 0.01 . 2 . . . . . 79 ASN HB2 . 27093 1 809 . 1 1 82 82 ASN HB3 H 1 2.77 0.01 . 2 . . . . . 79 ASN HB3 . 27093 1 810 . 1 1 82 82 ASN HD21 H 1 7.52 0.01 . 2 . . . . . 79 ASN HD21 . 27093 1 811 . 1 1 82 82 ASN HD22 H 1 6.84 0.01 . 2 . . . . . 79 ASN HD22 . 27093 1 812 . 1 1 82 82 ASN C C 13 175.28 0.01 . 1 . . . . . 79 ASN C . 27093 1 813 . 1 1 82 82 ASN CA C 13 53.59 0.01 . 1 . . . . . 79 ASN CA . 27093 1 814 . 1 1 82 82 ASN CB C 13 38.97 0.04 . 1 . . . . . 79 ASN CB . 27093 1 815 . 1 1 82 82 ASN N N 15 117.55 0.03 . 1 . . . . . 79 ASN N . 27093 1 816 . 1 1 82 82 ASN ND2 N 15 112.47 0.01 . 1 . . . . . 79 ASN ND2 . 27093 1 817 . 1 1 83 83 MET H H 1 8.11 0.01 . 1 . . . . . 80 MET H . 27093 1 818 . 1 1 83 83 MET HA H 1 4.52 0.01 . 1 . . . . . 80 MET HA . 27093 1 819 . 1 1 83 83 MET HB2 H 1 2.14 0.01 . 2 . . . . . 80 MET HB2 . 27093 1 820 . 1 1 83 83 MET HB3 H 1 2.07 0.01 . 2 . . . . . 80 MET HB3 . 27093 1 821 . 1 1 83 83 MET HG2 H 1 2.63 0.01 . 2 . . . . . 80 MET HG2 . 27093 1 822 . 1 1 83 83 MET HG3 H 1 2.56 0.01 . 2 . . . . . 80 MET HG3 . 27093 1 823 . 1 1 83 83 MET C C 13 176.11 0.01 . 1 . . . . . 80 MET C . 27093 1 824 . 1 1 83 83 MET CA C 13 56.06 0.03 . 1 . . . . . 80 MET CA . 27093 1 825 . 1 1 83 83 MET CB C 13 33.15 0.13 . 1 . . . . . 80 MET CB . 27093 1 826 . 1 1 83 83 MET CG C 13 32.33 0.07 . 1 . . . . . 80 MET CG . 27093 1 827 . 1 1 83 83 MET N N 15 119.68 0.04 . 1 . . . . . 80 MET N . 27093 1 828 . 1 1 84 84 THR H H 1 7.98 0.01 . 1 . . . . . 81 THR H . 27093 1 829 . 1 1 84 84 THR HA H 1 4.41 0.01 . 1 . . . . . 81 THR HA . 27093 1 830 . 1 1 84 84 THR HB H 1 4.31 0.01 . 1 . . . . . 81 THR HB . 27093 1 831 . 1 1 84 84 THR HG21 H 1 1.19 0.01 . 1 . . . . . 81 THR HG2 . 27093 1 832 . 1 1 84 84 THR HG22 H 1 1.19 0.01 . 1 . . . . . 81 THR HG2 . 27093 1 833 . 1 1 84 84 THR HG23 H 1 1.19 0.01 . 1 . . . . . 81 THR HG2 . 27093 1 834 . 1 1 84 84 THR C C 13 173.66 0.01 . 1 . . . . . 81 THR C . 27093 1 835 . 1 1 84 84 THR CA C 13 61.65 0.09 . 1 . . . . . 81 THR CA . 27093 1 836 . 1 1 84 84 THR CB C 13 69.99 0.07 . 1 . . . . . 81 THR CB . 27093 1 837 . 1 1 84 84 THR CG2 C 13 21.56 0.08 . 1 . . . . . 81 THR CG2 . 27093 1 838 . 1 1 84 84 THR N N 15 113.20 0.06 . 1 . . . . . 81 THR N . 27093 1 839 . 1 1 85 85 SER H H 1 7.82 0.01 . 1 . . . . . 82 SER H . 27093 1 840 . 1 1 85 85 SER HA H 1 4.27 0.01 . 1 . . . . . 82 SER HA . 27093 1 841 . 1 1 85 85 SER HB2 H 1 3.84 0.01 . 2 . . . . . 82 SER HB2 . 27093 1 842 . 1 1 85 85 SER HB3 H 1 3.84 0.01 . 2 . . . . . 82 SER HB3 . 27093 1 843 . 1 1 85 85 SER C C 13 178.45 0.01 . 1 . . . . . 82 SER C . 27093 1 844 . 1 1 85 85 SER CA C 13 60.10 0.04 . 1 . . . . . 82 SER CA . 27093 1 845 . 1 1 85 85 SER CB C 13 64.95 0.10 . 1 . . . . . 82 SER CB . 27093 1 846 . 1 1 85 85 SER N N 15 123.02 0.03 . 1 . . . . . 82 SER N . 27093 1 stop_ save_