data_28117 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28117 _Entry.Title ; Heterogeneous ribonucleoprotein A18 RNA Recognition Motif ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-04-27 _Entry.Accession_date 2020-04-27 _Entry.Last_release_date 2020-04-27 _Entry.Original_release_date 2020-04-27 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _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 ; Chemical shift assignments for the N-terminal domain of heterogeneous ribonucleoprotein A18 (hnRNP A18), an RNA recognition motif (RRM). ; _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Braden Roth . M. . . 28117 2 Katherine Coburn . M. . . 28117 3 David Weber . J. . . 28117 4 Kristen Varney . . . . 28117 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' . 28117 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Medical University of South Carolina' . 28117 2 . 'University of Maryland School of Medicine' . 28117 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'RRM, CIRBP, A18, RNA Recontion Motif' . 28117 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28117 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 350 28117 '15N chemical shifts' 91 28117 '1H chemical shifts' 552 28117 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 . . 2021-08-05 2020-04-27 update BMRB 'update entry citation' 28117 1 . . 2021-02-13 2020-04-27 original author 'original release' 28117 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5TBX . 28117 stop_ save_ ############### # Citations # ############### save_Citation_1 _Citation.Sf_category citations _Citation.Sf_framecode Citation_1 _Citation.Entry_ID 28117 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33398344 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Small molecules inhibitors of the heterogeneous ribonuclear protein A18 (hnRNP A18): a regulator of protein translation and an immune checkpoint ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume 49 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1235 _Citation.Page_last 1246 _Citation.Year 2021 _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 Eduardo Solano-Gonzalez . . . . 28117 1 2 Wenbo Yu . . . . 28117 1 3 Katherine Coburn . M. . . 28117 1 4 Gerald Wilson . M. . . 28117 1 5 Elmar Nurmemmedov . . . . 28117 1 6 Santosh Kesari . . . . 28117 1 7 Elizabeth Chang . T. . . 28117 1 8 Alexander MacKerell . D. Jr. . 28117 1 9 David Weber . J. . . 28117 1 10 France Carrier . . . . 28117 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 28117 1 SILCS 28117 1 cancer 28117 1 'computer-aided drug design' 28117 1 'hnRNP A18/CIRP' 28117 1 'immune checkpoint' 28117 1 'protein translation' 28117 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28117 _Assembly.ID 1 _Assembly.Name 'Heterogeneous ribonucleoprotein A18 RNA Recognition Motif' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _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 'not present' _Assembly.Molecular_mass 10213.2362 _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 A18n 1 $A18n A . yes native no no . . . 28117 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_A18n _Entity.Sf_category entity _Entity.Sf_framecode A18n _Entity.Entry_ID 28117 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name A18n _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GMASDEGKLFVGGLSFDTNE QSLEQVFSKYGQISEVVVVK DRETQRSRGFGFVTFENIDD AKDAMMAMNGKSVDGRQIRV DQAGKSSDNRSRG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 93 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment Domain _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10213.2362 _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 PDB 5TBX . 5TBX . . . . . . . . . . . . . . 28117 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 . GLY . 28117 1 2 . MET . 28117 1 3 . ALA . 28117 1 4 . SER . 28117 1 5 . ASP . 28117 1 6 . GLU . 28117 1 7 . GLY . 28117 1 8 . LYS . 28117 1 9 . LEU . 28117 1 10 . PHE . 28117 1 11 . VAL . 28117 1 12 . GLY . 28117 1 13 . GLY . 28117 1 14 . LEU . 28117 1 15 . SER . 28117 1 16 . PHE . 28117 1 17 . ASP . 28117 1 18 . THR . 28117 1 19 . ASN . 28117 1 20 . GLU . 28117 1 21 . GLN . 28117 1 22 . SER . 28117 1 23 . LEU . 28117 1 24 . GLU . 28117 1 25 . GLN . 28117 1 26 . VAL . 28117 1 27 . PHE . 28117 1 28 . SER . 28117 1 29 . LYS . 28117 1 30 . TYR . 28117 1 31 . GLY . 28117 1 32 . GLN . 28117 1 33 . ILE . 28117 1 34 . SER . 28117 1 35 . GLU . 28117 1 36 . VAL . 28117 1 37 . VAL . 28117 1 38 . VAL . 28117 1 39 . VAL . 28117 1 40 . LYS . 28117 1 41 . ASP . 28117 1 42 . ARG . 28117 1 43 . GLU . 28117 1 44 . THR . 28117 1 45 . GLN . 28117 1 46 . ARG . 28117 1 47 . SER . 28117 1 48 . ARG . 28117 1 49 . GLY . 28117 1 50 . PHE . 28117 1 51 . GLY . 28117 1 52 . PHE . 28117 1 53 . VAL . 28117 1 54 . THR . 28117 1 55 . PHE . 28117 1 56 . GLU . 28117 1 57 . ASN . 28117 1 58 . ILE . 28117 1 59 . ASP . 28117 1 60 . ASP . 28117 1 61 . ALA . 28117 1 62 . LYS . 28117 1 63 . ASP . 28117 1 64 . ALA . 28117 1 65 . MET . 28117 1 66 . MET . 28117 1 67 . ALA . 28117 1 68 . MET . 28117 1 69 . ASN . 28117 1 70 . GLY . 28117 1 71 . LYS . 28117 1 72 . SER . 28117 1 73 . VAL . 28117 1 74 . ASP . 28117 1 75 . GLY . 28117 1 76 . ARG . 28117 1 77 . GLN . 28117 1 78 . ILE . 28117 1 79 . ARG . 28117 1 80 . VAL . 28117 1 81 . ASP . 28117 1 82 . GLN . 28117 1 83 . ALA . 28117 1 84 . GLY . 28117 1 85 . LYS . 28117 1 86 . SER . 28117 1 87 . SER . 28117 1 88 . ASP . 28117 1 89 . ASN . 28117 1 90 . ARG . 28117 1 91 . SER . 28117 1 92 . ARG . 28117 1 93 . GLY . 28117 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 28117 1 . MET 2 2 28117 1 . ALA 3 3 28117 1 . SER 4 4 28117 1 . ASP 5 5 28117 1 . GLU 6 6 28117 1 . GLY 7 7 28117 1 . LYS 8 8 28117 1 . LEU 9 9 28117 1 . PHE 10 10 28117 1 . VAL 11 11 28117 1 . GLY 12 12 28117 1 . GLY 13 13 28117 1 . LEU 14 14 28117 1 . SER 15 15 28117 1 . PHE 16 16 28117 1 . ASP 17 17 28117 1 . THR 18 18 28117 1 . ASN 19 19 28117 1 . GLU 20 20 28117 1 . GLN 21 21 28117 1 . SER 22 22 28117 1 . LEU 23 23 28117 1 . GLU 24 24 28117 1 . GLN 25 25 28117 1 . VAL 26 26 28117 1 . PHE 27 27 28117 1 . SER 28 28 28117 1 . LYS 29 29 28117 1 . TYR 30 30 28117 1 . GLY 31 31 28117 1 . GLN 32 32 28117 1 . ILE 33 33 28117 1 . SER 34 34 28117 1 . GLU 35 35 28117 1 . VAL 36 36 28117 1 . VAL 37 37 28117 1 . VAL 38 38 28117 1 . VAL 39 39 28117 1 . LYS 40 40 28117 1 . ASP 41 41 28117 1 . ARG 42 42 28117 1 . GLU 43 43 28117 1 . THR 44 44 28117 1 . GLN 45 45 28117 1 . ARG 46 46 28117 1 . SER 47 47 28117 1 . ARG 48 48 28117 1 . GLY 49 49 28117 1 . PHE 50 50 28117 1 . GLY 51 51 28117 1 . PHE 52 52 28117 1 . VAL 53 53 28117 1 . THR 54 54 28117 1 . PHE 55 55 28117 1 . GLU 56 56 28117 1 . ASN 57 57 28117 1 . ILE 58 58 28117 1 . ASP 59 59 28117 1 . ASP 60 60 28117 1 . ALA 61 61 28117 1 . LYS 62 62 28117 1 . ASP 63 63 28117 1 . ALA 64 64 28117 1 . MET 65 65 28117 1 . MET 66 66 28117 1 . ALA 67 67 28117 1 . MET 68 68 28117 1 . ASN 69 69 28117 1 . GLY 70 70 28117 1 . LYS 71 71 28117 1 . SER 72 72 28117 1 . VAL 73 73 28117 1 . ASP 74 74 28117 1 . GLY 75 75 28117 1 . ARG 76 76 28117 1 . GLN 77 77 28117 1 . ILE 78 78 28117 1 . ARG 79 79 28117 1 . VAL 80 80 28117 1 . ASP 81 81 28117 1 . GLN 82 82 28117 1 . ALA 83 83 28117 1 . GLY 84 84 28117 1 . LYS 85 85 28117 1 . SER 86 86 28117 1 . SER 87 87 28117 1 . ASP 88 88 28117 1 . ASN 89 89 28117 1 . ARG 90 90 28117 1 . SER 91 91 28117 1 . ARG 92 92 28117 1 . GLY 93 93 28117 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 28117 _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 $A18n . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 28117 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 28117 _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 $A18n . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli . . . pHGK-IF . . N/A . . . 28117 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_A18N _Sample.Sf_category sample _Sample.Sf_framecode sample_A18N _Sample.Entry_ID 28117 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details 'A18 RRM' _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 A18n '[U-13C; U-15N]' . . 1 $A18n . . 0.900 . . mM . . . . 28117 1 2 HEPES 'natural abundance' . . . . . . 18.0 . . mM . . . . 28117 1 3 NaCl 'natural abundance' . . . . . . 45.0 . . mM . . . . 28117 1 4 NaN3 'natural abundance' . . . . . . 2.0 . . mM . . . . 28117 1 5 DTT 'natural abundance' . . . . . . 1.0 . . mM . . . . 28117 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 28117 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 63.000 . mM 28117 1 pH 7.000 . pH 28117 1 temperature 298.000 . K 28117 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 28117 _Software.ID 1 _Software.Type . _Software.Name CcpNmr_Analysis _Software.Version 2.4 _Software.DOI . _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 28117 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignments' . 28117 1 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 28117 _Software.ID 2 _Software.Type . _Software.Name nmrPipe _Software.Version 10.4 _Software.DOI . _Software.Details 'An extensive software system for processing, analyzing, and interacting with multidimensional NMR spectroscopic data' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'NIST IBBR' . http://www.ibbr.umd.edu/nmrpipe/ 28117 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'nmr data processing' . 28117 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600 _NMR_spectrometer.Entry_ID 28117 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 28117 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 1 600 Bruker DMX . 600 'Cryoprobe, liquid' . . 28117 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 28117 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . . . 1 $sample_A18N isotropic . . 1 $sample_conditions_1 . . . 1 $600 . . . . . . . . . . . . . . . . . 28117 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_A18N isotropic . . 1 $sample_conditions_1 . . . 1 $600 . . . . . . . . . . . . . . . . . 28117 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_A18N isotropic . . 1 $sample_conditions_1 . . . 1 $600 . . . . . . . . . . . . . . . . . 28117 1 4 '5 (HNcaCO)' no . . . . . . . . . . . . 1 $sample_A18N isotropic . . 1 $sample_conditions_1 . . . 1 $600 . . . . . . . . . . . . . . . . . 28117 1 5 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_A18N isotropic . . 1 $sample_conditions_1 . . . 1 $600 . . . . . . . . . . . . . . . . . 28117 1 6 '11 (HccoNH)' no . . . . . . . . . . . . 1 $sample_A18N isotropic . . 1 $sample_conditions_1 . . . 1 $600 . . . . . . . . . . . . . . . . . 28117 1 7 '12 (HccoNH)' no . . . . . . . . . . . . 1 $sample_A18N isotropic . . 1 $sample_conditions_1 . . . 1 $600 . . . . . . . . . . . . . . . . . 28117 1 8 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_A18N isotropic . . 1 $sample_conditions_1 . . . 1 $600 . . . . . . . . . . . . . . . . . 28117 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 28117 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 H 1 TSP H . . . . ppm 0.0 external indirect 1 . . . . . 28117 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 28117 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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/HMQC' 1 $sample_A18N isotropic 28117 1 2 '3D HNCACB' 1 $sample_A18N isotropic 28117 1 3 '3D HNCO' 1 $sample_A18N isotropic 28117 1 4 '5 (HNcaCO)' 1 $sample_A18N isotropic 28117 1 5 '3D C(CO)NH' 1 $sample_A18N isotropic 28117 1 6 '11 (HccoNH)' 1 $sample_A18N isotropic 28117 1 7 '12 (HccoNH)' 1 $sample_A18N isotropic 28117 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CcpNmr_Analysis . . 28117 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 2 2 MET HA H 1 4.347 0.008 . 1 . . 478 . . 2 MET HA . 28117 1 2 . 1 . 1 2 2 MET HB2 H 1 1.909 0.007 . 1 . . 482 . . 2 MET HB2 . 28117 1 3 . 1 . 1 2 2 MET HB3 H 1 1.909 0.007 . 1 . . 480 . . 2 MET HB3 . 28117 1 4 . 1 . 1 2 2 MET HG2 H 1 2.433 0.0 . 1 . . 481 . . 2 MET HG2 . 28117 1 5 . 1 . 1 2 2 MET HG3 H 1 2.433 0.0 . 1 . . 479 . . 2 MET HG3 . 28117 1 6 . 1 . 1 2 2 MET C C 13 175.599 . . 1 . . 462 . . 2 MET C . 28117 1 7 . 1 . 1 2 2 MET CA C 13 54.951 0.065 . 1 . . 461 . . 2 MET CA . 28117 1 8 . 1 . 1 2 2 MET CB C 13 32.610 0.138 . 1 . . 463 . . 2 MET CB . 28117 1 9 . 1 . 1 2 2 MET CG C 13 31.279 0.032 . 1 . . 477 . . 2 MET CG . 28117 1 10 . 1 . 1 3 3 ALA H H 1 8.457 0.001 . 1 . . 55 . . 3 ALA H . 28117 1 11 . 1 . 1 3 3 ALA HA H 1 4.212 0.006 . 1 . . 485 . . 3 ALA HA . 28117 1 12 . 1 . 1 3 3 ALA HB1 H 1 1.253 0.007 . 1 . . 484 . . 3 ALA HB1 . 28117 1 13 . 1 . 1 3 3 ALA HB2 H 1 1.253 0.007 . 1 . . 484 . . 3 ALA HB2 . 28117 1 14 . 1 . 1 3 3 ALA HB3 H 1 1.253 0.007 . 1 . . 484 . . 3 ALA HB3 . 28117 1 15 . 1 . 1 3 3 ALA C C 13 177.147 0.012 . 1 . . 264 . . 3 ALA C . 28117 1 16 . 1 . 1 3 3 ALA CA C 13 52.050 0.175 . 1 . . 263 . . 3 ALA CA . 28117 1 17 . 1 . 1 3 3 ALA CB C 13 18.663 0.071 . 1 . . 262 . . 3 ALA CB . 28117 1 18 . 1 . 1 3 3 ALA N N 15 126.657 0.006 . 1 . . 56 . . 3 ALA N . 28117 1 19 . 1 . 1 4 4 SER H H 1 8.203 0.001 . 1 . . 157 . . 4 SER H . 28117 1 20 . 1 . 1 4 4 SER HA H 1 4.290 0.015 . 1 . . 486 . . 4 SER HA . 28117 1 21 . 1 . 1 4 4 SER HB2 H 1 3.821 0.001 . 1 . . 487 . . 4 SER HB2 . 28117 1 22 . 1 . 1 4 4 SER HB3 H 1 3.679 0.003 . 1 . . 488 . . 4 SER HB3 . 28117 1 23 . 1 . 1 4 4 SER C C 13 174.327 0.011 . 1 . . 414 . . 4 SER C . 28117 1 24 . 1 . 1 4 4 SER CA C 13 57.656 0.138 . 1 . . 412 . . 4 SER CA . 28117 1 25 . 1 . 1 4 4 SER CB C 13 63.142 0.12 . 1 . . 413 . . 4 SER CB . 28117 1 26 . 1 . 1 4 4 SER N N 15 115.601 0.009 . 1 . . 158 . . 4 SER N . 28117 1 27 . 1 . 1 5 5 ASP H H 1 8.346 0.001 . 1 . . 9 . . 5 ASP H . 28117 1 28 . 1 . 1 5 5 ASP HA H 1 4.488 0.01 . 1 . . 491 . . 5 ASP HA . 28117 1 29 . 1 . 1 5 5 ASP HB2 H 1 2.582 0.038 . 1 . . 490 . . 5 ASP HB2 . 28117 1 30 . 1 . 1 5 5 ASP HB3 H 1 2.528 0.001 . 1 . . 489 . . 5 ASP HB3 . 28117 1 31 . 1 . 1 5 5 ASP C C 13 176.606 0.003 . 1 . . 200 . . 5 ASP C . 28117 1 32 . 1 . 1 5 5 ASP CA C 13 54.235 0.074 . 1 . . 198 . . 5 ASP CA . 28117 1 33 . 1 . 1 5 5 ASP CB C 13 40.268 0.064 . 1 . . 199 . . 5 ASP CB . 28117 1 34 . 1 . 1 5 5 ASP N N 15 122.979 0.016 . 1 . . 10 . . 5 ASP N . 28117 1 35 . 1 . 1 6 6 GLU H H 1 8.229 0.001 . 1 . . 65 . . 6 GLU H . 28117 1 36 . 1 . 1 6 6 GLU HA H 1 4.023 0.006 . 1 . . 493 . . 6 GLU HA . 28117 1 37 . 1 . 1 6 6 GLU HB2 H 1 1.910 0.022 . 1 . . 496 . . 6 GLU HB2 . 28117 1 38 . 1 . 1 6 6 GLU HB3 H 1 1.830 0.01 . 1 . . 497 . . 6 GLU HB3 . 28117 1 39 . 1 . 1 6 6 GLU HG2 H 1 2.174 0.007 . 1 . . 495 . . 6 GLU HG2 . 28117 1 40 . 1 . 1 6 6 GLU HG3 H 1 2.174 0.007 . 1 . . 494 . . 6 GLU HG3 . 28117 1 41 . 1 . 1 6 6 GLU C C 13 176.566 0.001 . 1 . . 278 . . 6 GLU C . 28117 1 42 . 1 . 1 6 6 GLU CA C 13 57.968 0.079 . 1 . . 279 . . 6 GLU CA . 28117 1 43 . 1 . 1 6 6 GLU CB C 13 29.484 0.048 . 1 . . 277 . . 6 GLU CB . 28117 1 44 . 1 . 1 6 6 GLU CG C 13 36.390 0.025 . 1 . . 492 . . 6 GLU CG . 28117 1 45 . 1 . 1 6 6 GLU N N 15 120.940 0.034 . 1 . . 66 . . 6 GLU N . 28117 1 46 . 1 . 1 7 7 GLY H H 1 8.571 0.002 . 1 . . 137 . . 7 GLY H . 28117 1 47 . 1 . 1 7 7 GLY HA2 H 1 3.994 0.008 . 1 . . 498 . . 7 GLY HA2 . 28117 1 48 . 1 . 1 7 7 GLY HA3 H 1 3.676 0.009 . 1 . . 499 . . 7 GLY HA3 . 28117 1 49 . 1 . 1 7 7 GLY C C 13 171.498 0.012 . 1 . . 387 . . 7 GLY C . 28117 1 50 . 1 . 1 7 7 GLY CA C 13 44.424 0.085 . 1 . . 386 . . 7 GLY CA . 28117 1 51 . 1 . 1 7 7 GLY N N 15 108.712 0.01 . 1 . . 138 . . 7 GLY N . 28117 1 52 . 1 . 1 8 8 LYS H H 1 7.454 0.001 . 1 . . 177 . . 8 LYS H . 28117 1 53 . 1 . 1 8 8 LYS HA H 1 4.776 0.007 . 1 . . 503 . . 8 LYS HA . 28117 1 54 . 1 . 1 8 8 LYS HB2 H 1 1.819 0.005 . 1 . . 508 . . 8 LYS HB2 . 28117 1 55 . 1 . 1 8 8 LYS HB3 H 1 1.453 0.005 . 1 . . 943 . . 8 LYS HB3 . 28117 1 56 . 1 . 1 8 8 LYS HG2 H 1 1.246 0.001 . 1 . . 505 . . 8 LYS HG2 . 28117 1 57 . 1 . 1 8 8 LYS HG3 H 1 0.990 0.016 . 1 . . 944 . . 8 LYS HG3 . 28117 1 58 . 1 . 1 8 8 LYS HD2 H 1 1.268 0.025 . 1 . . 946 . . 8 LYS HD2 . 28117 1 59 . 1 . 1 8 8 LYS HD3 H 1 1.268 0.025 . 1 . . 945 . . 8 LYS HD3 . 28117 1 60 . 1 . 1 8 8 LYS C C 13 174.555 0.003 . 1 . . 442 . . 8 LYS C . 28117 1 61 . 1 . 1 8 8 LYS CA C 13 55.559 0.113 . 1 . . 441 . . 8 LYS CA . 28117 1 62 . 1 . 1 8 8 LYS CB C 13 33.951 0.074 . 1 . . 443 . . 8 LYS CB . 28117 1 63 . 1 . 1 8 8 LYS CG C 13 24.082 0.114 . 1 . . 502 . . 8 LYS CG . 28117 1 64 . 1 . 1 8 8 LYS CD C 13 28.848 0.021 . 1 . . 501 . . 8 LYS CD . 28117 1 65 . 1 . 1 8 8 LYS CE C 13 41.095 . . 1 . . 500 . . 8 LYS CE . 28117 1 66 . 1 . 1 8 8 LYS N N 15 122.260 0.014 . 1 . . 178 . . 8 LYS N . 28117 1 67 . 1 . 1 9 9 LEU H H 1 9.493 0.005 . 1 . . 163 . . 9 LEU H . 28117 1 68 . 1 . 1 9 9 LEU HA H 1 5.004 . . 1 . . 516 . . 9 LEU HA . 28117 1 69 . 1 . 1 9 9 LEU HB2 H 1 1.256 . . 1 . . 520 . . 9 LEU HB2 . 28117 1 70 . 1 . 1 9 9 LEU HB3 H 1 1.256 . . 1 . . 519 . . 9 LEU HB3 . 28117 1 71 . 1 . 1 9 9 LEU HG H 1 1.788 . . 1 . . 521 . . 9 LEU HG . 28117 1 72 . 1 . 1 9 9 LEU HD11 H 1 0.874 . . 1 . . 518 . . 9 LEU HD11 . 28117 1 73 . 1 . 1 9 9 LEU HD12 H 1 0.874 . . 1 . . 518 . . 9 LEU HD12 . 28117 1 74 . 1 . 1 9 9 LEU HD13 H 1 0.874 . . 1 . . 518 . . 9 LEU HD13 . 28117 1 75 . 1 . 1 9 9 LEU HD21 H 1 0.655 0.019 . 1 . . 517 . . 9 LEU HD21 . 28117 1 76 . 1 . 1 9 9 LEU HD22 H 1 0.655 0.019 . 1 . . 517 . . 9 LEU HD22 . 28117 1 77 . 1 . 1 9 9 LEU HD23 H 1 0.655 0.019 . 1 . . 517 . . 9 LEU HD23 . 28117 1 78 . 1 . 1 9 9 LEU C C 13 176.249 0.023 . 1 . . 422 . . 9 LEU C . 28117 1 79 . 1 . 1 9 9 LEU CA C 13 52.573 0.13 . 1 . . 421 . . 9 LEU CA . 28117 1 80 . 1 . 1 9 9 LEU CB C 13 42.898 . . 1 . . 423 . . 9 LEU CB . 28117 1 81 . 1 . 1 9 9 LEU CG C 13 25.968 . . 1 . . 948 . . 9 LEU CG . 28117 1 82 . 1 . 1 9 9 LEU CD1 C 13 22.170 . . 1 . . 950 . . 9 LEU CD1 . 28117 1 83 . 1 . 1 9 9 LEU CD2 C 13 22.170 . . 1 . . 949 . . 9 LEU CD2 . 28117 1 84 . 1 . 1 9 9 LEU N N 15 128.625 0.085 . 1 . . 164 . . 9 LEU N . 28117 1 85 . 1 . 1 10 10 PHE H H 1 9.131 0.004 . 1 . . 181 . . 10 PHE H . 28117 1 86 . 1 . 1 10 10 PHE HA H 1 4.544 0.012 . 1 . . 513 . . 10 PHE HA . 28117 1 87 . 1 . 1 10 10 PHE HB2 H 1 2.936 0.007 . 1 . . 514 . . 10 PHE HB2 . 28117 1 88 . 1 . 1 10 10 PHE HB3 H 1 2.590 0.008 . 1 . . 515 . . 10 PHE HB3 . 28117 1 89 . 1 . 1 10 10 PHE C C 13 172.768 0.007 . 1 . . 449 . . 10 PHE C . 28117 1 90 . 1 . 1 10 10 PHE CA C 13 56.482 0.059 . 1 . . 448 . . 10 PHE CA . 28117 1 91 . 1 . 1 10 10 PHE CB C 13 40.630 0.034 . 1 . . 447 . . 10 PHE CB . 28117 1 92 . 1 . 1 10 10 PHE N N 15 124.655 0.065 . 1 . . 182 . . 10 PHE N . 28117 1 93 . 1 . 1 11 11 VAL H H 1 7.889 0.001 . 1 . . 185 . . 11 VAL H . 28117 1 94 . 1 . 1 11 11 VAL HA H 1 4.614 0.005 . 1 . . 524 . . 11 VAL HA . 28117 1 95 . 1 . 1 11 11 VAL HB H 1 1.343 0.009 . 1 . . 525 . . 11 VAL HB . 28117 1 96 . 1 . 1 11 11 VAL HG11 H 1 0.672 0.008 . 1 . . 526 . . 11 VAL HG11 . 28117 1 97 . 1 . 1 11 11 VAL HG12 H 1 0.672 0.008 . 1 . . 526 . . 11 VAL HG12 . 28117 1 98 . 1 . 1 11 11 VAL HG13 H 1 0.672 0.008 . 1 . . 526 . . 11 VAL HG13 . 28117 1 99 . 1 . 1 11 11 VAL HG21 H 1 0.408 0.009 . 1 . . 527 . . 11 VAL HG21 . 28117 1 100 . 1 . 1 11 11 VAL HG22 H 1 0.408 0.009 . 1 . . 527 . . 11 VAL HG22 . 28117 1 101 . 1 . 1 11 11 VAL HG23 H 1 0.408 0.009 . 1 . . 527 . . 11 VAL HG23 . 28117 1 102 . 1 . 1 11 11 VAL C C 13 173.134 0.008 . 1 . . 453 . . 11 VAL C . 28117 1 103 . 1 . 1 11 11 VAL CA C 13 59.204 0.098 . 1 . . 454 . . 11 VAL CA . 28117 1 104 . 1 . 1 11 11 VAL CB C 13 32.328 0.061 . 1 . . 452 . . 11 VAL CB . 28117 1 105 . 1 . 1 11 11 VAL CG1 C 13 22.510 0.049 . 1 . . 522 . . 11 VAL CG1 . 28117 1 106 . 1 . 1 11 11 VAL CG2 C 13 20.219 0.027 . 1 . . 523 . . 11 VAL CG2 . 28117 1 107 . 1 . 1 11 11 VAL N N 15 127.198 0.018 . 1 . . 186 . . 11 VAL N . 28117 1 108 . 1 . 1 12 12 GLY H H 1 8.902 0.001 . 1 . . 159 . . 12 GLY H . 28117 1 109 . 1 . 1 12 12 GLY HA2 H 1 4.529 0.003 . 1 . . 528 . . 12 GLY HA2 . 28117 1 110 . 1 . 1 12 12 GLY HA3 H 1 3.484 0.007 . 1 . . 529 . . 12 GLY HA3 . 28117 1 111 . 1 . 1 12 12 GLY C C 13 173.109 0.001 . 1 . . 417 . . 12 GLY C . 28117 1 112 . 1 . 1 12 12 GLY CA C 13 42.717 0.093 . 1 . . 415 . . 12 GLY CA . 28117 1 113 . 1 . 1 12 12 GLY N N 15 111.958 0.011 . 1 . . 160 . . 12 GLY N . 28117 1 114 . 1 . 1 13 13 GLY H H 1 8.250 0.002 . 1 . . 47 . . 13 GLY H . 28117 1 115 . 1 . 1 13 13 GLY HA2 H 1 4.044 0.007 . 1 . . 531 . . 13 GLY HA2 . 28117 1 116 . 1 . 1 13 13 GLY HA3 H 1 3.608 0.007 . 1 . . 530 . . 13 GLY HA3 . 28117 1 117 . 1 . 1 13 13 GLY C C 13 174.345 0.04 . 1 . . 253 . . 13 GLY C . 28117 1 118 . 1 . 1 13 13 GLY CA C 13 45.162 0.128 . 1 . . 252 . . 13 GLY CA . 28117 1 119 . 1 . 1 13 13 GLY N N 15 107.620 0.012 . 1 . . 48 . . 13 GLY N . 28117 1 120 . 1 . 1 14 14 LEU H H 1 7.358 0.001 . 1 . . 83 . . 14 LEU H . 28117 1 121 . 1 . 1 14 14 LEU HA H 1 4.008 0.025 . 1 . . 533 . . 14 LEU HA . 28117 1 122 . 1 . 1 14 14 LEU HB2 H 1 0.928 . . 1 . . 536 . . 14 LEU HB2 . 28117 1 123 . 1 . 1 14 14 LEU HB3 H 1 0.928 . . 1 . . 537 . . 14 LEU HB3 . 28117 1 124 . 1 . 1 14 14 LEU HD11 H 1 0.532 . . 1 . . 535 . . 14 LEU HD11 . 28117 1 125 . 1 . 1 14 14 LEU HD12 H 1 0.532 . . 1 . . 535 . . 14 LEU HD12 . 28117 1 126 . 1 . 1 14 14 LEU HD13 H 1 0.532 . . 1 . . 535 . . 14 LEU HD13 . 28117 1 127 . 1 . 1 14 14 LEU HD21 H 1 0.312 . . 1 . . 534 . . 14 LEU HD21 . 28117 1 128 . 1 . 1 14 14 LEU HD22 H 1 0.312 . . 1 . . 534 . . 14 LEU HD22 . 28117 1 129 . 1 . 1 14 14 LEU HD23 H 1 0.312 . . 1 . . 534 . . 14 LEU HD23 . 28117 1 130 . 1 . 1 14 14 LEU C C 13 178.768 0.019 . 1 . . 306 . . 14 LEU C . 28117 1 131 . 1 . 1 14 14 LEU CA C 13 53.336 0.16 . 1 . . 305 . . 14 LEU CA . 28117 1 132 . 1 . 1 14 14 LEU CB C 13 42.609 0.032 . 1 . . 307 . . 14 LEU CB . 28117 1 133 . 1 . 1 14 14 LEU CD1 C 13 24.806 . . 1 . . 952 . . 14 LEU CD1 . 28117 1 134 . 1 . 1 14 14 LEU CD2 C 13 24.806 . . 1 . . 951 . . 14 LEU CD2 . 28117 1 135 . 1 . 1 14 14 LEU N N 15 115.298 0.019 . 1 . . 84 . . 14 LEU N . 28117 1 136 . 1 . 1 15 15 SER H H 1 9.162 0.004 . 1 . . 43 . . 15 SER H . 28117 1 137 . 1 . 1 15 15 SER HA H 1 3.966 0.009 . 1 . . 540 . . 15 SER HA . 28117 1 138 . 1 . 1 15 15 SER HB2 H 1 3.929 0.015 . 1 . . 539 . . 15 SER HB2 . 28117 1 139 . 1 . 1 15 15 SER HB3 H 1 3.892 0.023 . 1 . . 538 . . 15 SER HB3 . 28117 1 140 . 1 . 1 15 15 SER C C 13 177.057 0.019 . 1 . . 247 . . 15 SER C . 28117 1 141 . 1 . 1 15 15 SER CA C 13 56.903 0.093 . 1 . . 245 . . 15 SER CA . 28117 1 142 . 1 . 1 15 15 SER CB C 13 62.480 0.09 . 1 . . 246 . . 15 SER CB . 28117 1 143 . 1 . 1 15 15 SER N N 15 115.728 0.034 . 1 . . 44 . . 15 SER N . 28117 1 144 . 1 . 1 16 16 PHE H H 1 8.744 0.001 . 1 . . 75 . . 16 PHE H . 28117 1 145 . 1 . 1 16 16 PHE HA H 1 4.194 0.013 . 1 . . 541 . . 16 PHE HA . 28117 1 146 . 1 . 1 16 16 PHE HB2 H 1 3.212 0.008 . 1 . . 543 . . 16 PHE HB2 . 28117 1 147 . 1 . 1 16 16 PHE HB3 H 1 2.876 0.006 . 1 . . 542 . . 16 PHE HB3 . 28117 1 148 . 1 . 1 16 16 PHE C C 13 174.667 0.021 . 1 . . 294 . . 16 PHE C . 28117 1 149 . 1 . 1 16 16 PHE CA C 13 59.091 0.089 . 1 . . 295 . . 16 PHE CA . 28117 1 150 . 1 . 1 16 16 PHE CB C 13 36.929 0.065 . 1 . . 293 . . 16 PHE CB . 28117 1 151 . 1 . 1 16 16 PHE N N 15 128.084 0.025 . 1 . . 76 . . 16 PHE N . 28117 1 152 . 1 . 1 17 17 ASP H H 1 7.983 0.001 . 1 . . 35 . . 17 ASP H . 28117 1 153 . 1 . 1 17 17 ASP HA H 1 4.549 0.01 . 1 . . 544 . . 17 ASP HA . 28117 1 154 . 1 . 1 17 17 ASP HB2 H 1 2.620 0.006 . 1 . . 545 . . 17 ASP HB2 . 28117 1 155 . 1 . 1 17 17 ASP HB3 H 1 2.287 0.005 . 1 . . 546 . . 17 ASP HB3 . 28117 1 156 . 1 . 1 17 17 ASP C C 13 176.228 0.0 . 1 . . 235 . . 17 ASP C . 28117 1 157 . 1 . 1 17 17 ASP CA C 13 54.009 0.127 . 1 . . 234 . . 17 ASP CA . 28117 1 158 . 1 . 1 17 17 ASP CB C 13 41.023 0.213 . 1 . . 233 . . 17 ASP CB . 28117 1 159 . 1 . 1 17 17 ASP N N 15 116.331 0.026 . 1 . . 36 . . 17 ASP N . 28117 1 160 . 1 . 1 18 18 THR H H 1 7.189 0.001 . 1 . . 113 . . 18 THR H . 28117 1 161 . 1 . 1 18 18 THR HA H 1 3.960 0.013 . 1 . . 548 . . 18 THR HA . 28117 1 162 . 1 . 1 18 18 THR HB H 1 3.813 0.006 . 1 . . 549 . . 18 THR HB . 28117 1 163 . 1 . 1 18 18 THR HG21 H 1 1.044 0.011 . 1 . . 550 . . 18 THR HG21 . 28117 1 164 . 1 . 1 18 18 THR HG22 H 1 1.044 0.011 . 1 . . 550 . . 18 THR HG22 . 28117 1 165 . 1 . 1 18 18 THR HG23 H 1 1.044 0.011 . 1 . . 550 . . 18 THR HG23 . 28117 1 166 . 1 . 1 18 18 THR C C 13 173.287 0.014 . 1 . . 349 . . 18 THR C . 28117 1 167 . 1 . 1 18 18 THR CA C 13 64.019 0.132 . 1 . . 350 . . 18 THR CA . 28117 1 168 . 1 . 1 18 18 THR CB C 13 67.696 0.08 . 1 . . 351 . . 18 THR CB . 28117 1 169 . 1 . 1 18 18 THR CG2 C 13 21.999 0.127 . 1 . . 547 . . 18 THR CG2 . 28117 1 170 . 1 . 1 18 18 THR N N 15 119.727 0.008 . 1 . . 114 . . 18 THR N . 28117 1 171 . 1 . 1 19 19 ASN H H 1 7.922 0.002 . 1 . . 141 . . 19 ASN H . 28117 1 172 . 1 . 1 19 19 ASN HA H 1 4.707 0.008 . 1 . . 551 . . 19 ASN HA . 28117 1 173 . 1 . 1 19 19 ASN HB2 H 1 3.156 0.004 . 1 . . 552 . . 19 ASN HB2 . 28117 1 174 . 1 . 1 19 19 ASN HB3 H 1 2.774 0.009 . 1 . . 553 . . 19 ASN HB3 . 28117 1 175 . 1 . 1 19 19 ASN C C 13 173.752 0.006 . 1 . . 392 . . 19 ASN C . 28117 1 176 . 1 . 1 19 19 ASN CA C 13 50.035 0.046 . 1 . . 391 . . 19 ASN CA . 28117 1 177 . 1 . 1 19 19 ASN CB C 13 39.857 0.054 . 1 . . 393 . . 19 ASN CB . 28117 1 178 . 1 . 1 19 19 ASN N N 15 127.441 0.027 . 1 . . 142 . . 19 ASN N . 28117 1 179 . 1 . 1 20 20 GLU H H 1 9.771 0.001 . 1 . . 67 . . 20 GLU H . 28117 1 180 . 1 . 1 20 20 GLU HA H 1 3.409 0.008 . 1 . . 555 . . 20 GLU HA . 28117 1 181 . 1 . 1 20 20 GLU HB2 H 1 1.928 0.005 . 1 . . 556 . . 20 GLU HB2 . 28117 1 182 . 1 . 1 20 20 GLU HB3 H 1 1.692 0.013 . 1 . . 557 . . 20 GLU HB3 . 28117 1 183 . 1 . 1 20 20 GLU HG2 H 1 2.550 0.004 . 1 . . 568 . . 20 GLU HG2 . 28117 1 184 . 1 . 1 20 20 GLU HG3 H 1 1.951 0.003 . 1 . . 953 . . 20 GLU HG3 . 28117 1 185 . 1 . 1 20 20 GLU C C 13 177.669 0.007 . 1 . . 281 . . 20 GLU C . 28117 1 186 . 1 . 1 20 20 GLU CA C 13 61.085 0.134 . 1 . . 282 . . 20 GLU CA . 28117 1 187 . 1 . 1 20 20 GLU CB C 13 27.614 0.077 . 1 . . 280 . . 20 GLU CB . 28117 1 188 . 1 . 1 20 20 GLU CG C 13 37.696 0.075 . 1 . . 554 . . 20 GLU CG . 28117 1 189 . 1 . 1 20 20 GLU N N 15 119.373 0.007 . 1 . . 68 . . 20 GLU N . 28117 1 190 . 1 . 1 21 21 GLN H H 1 8.009 0.001 . 1 . . 149 . . 21 GLN H . 28117 1 191 . 1 . 1 21 21 GLN HA H 1 3.967 0.005 . 1 . . 561 . . 21 GLN HA . 28117 1 192 . 1 . 1 21 21 GLN HB2 H 1 1.971 0.032 . 1 . . 564 . . 21 GLN HB2 . 28117 1 193 . 1 . 1 21 21 GLN HB3 H 1 1.938 0.015 . 1 . . 569 . . 21 GLN HB3 . 28117 1 194 . 1 . 1 21 21 GLN HG2 H 1 2.259 0.004 . 1 . . 570 . . 21 GLN HG2 . 28117 1 195 . 1 . 1 21 21 GLN HG3 H 1 2.259 0.004 . 1 . . 562 . . 21 GLN HG3 . 28117 1 196 . 1 . 1 21 21 GLN C C 13 178.125 0.003 . 1 . . 405 . . 21 GLN C . 28117 1 197 . 1 . 1 21 21 GLN CA C 13 58.938 0.059 . 1 . . 403 . . 21 GLN CA . 28117 1 198 . 1 . 1 21 21 GLN CB C 13 27.281 0.035 . 1 . . 404 . . 21 GLN CB . 28117 1 199 . 1 . 1 21 21 GLN CG C 13 33.861 0.007 . 1 . . 560 . . 21 GLN CG . 28117 1 200 . 1 . 1 21 21 GLN N N 15 119.852 0.012 . 1 . . 150 . . 21 GLN N . 28117 1 201 . 1 . 1 22 22 SER H H 1 8.049 0.001 . 1 . . 115 . . 22 SER H . 28117 1 202 . 1 . 1 22 22 SER HA H 1 4.141 0.007 . 1 . . 571 . . 22 SER HA . 28117 1 203 . 1 . 1 22 22 SER HB2 H 1 3.988 0.004 . 1 . . 572 . . 22 SER HB2 . 28117 1 204 . 1 . 1 22 22 SER HB3 H 1 3.823 0.0 . 1 . . 573 . . 22 SER HB3 . 28117 1 205 . 1 . 1 22 22 SER C C 13 176.600 . . 1 . . 457 . . 22 SER C . 28117 1 206 . 1 . 1 22 22 SER CA C 13 60.625 0.036 . 1 . . 352 . . 22 SER CA . 28117 1 207 . 1 . 1 22 22 SER CB C 13 61.870 0.104 . 1 . . 353 . . 22 SER CB . 28117 1 208 . 1 . 1 22 22 SER N N 15 117.076 0.004 . 1 . . 116 . . 22 SER N . 28117 1 209 . 1 . 1 23 23 LEU H H 1 7.695 0.002 . 1 . . 145 . . 23 LEU H . 28117 1 210 . 1 . 1 23 23 LEU HA H 1 4.018 0.007 . 1 . . 954 . . 23 LEU HA . 28117 1 211 . 1 . 1 23 23 LEU HB2 H 1 1.541 . . 1 . . 1011 . . 23 LEU HB2 . 28117 1 212 . 1 . 1 23 23 LEU HB3 H 1 1.200 . . 1 . . 1012 . . 23 LEU HB3 . 28117 1 213 . 1 . 1 23 23 LEU HG H 1 1.391 . . 1 . . 579 . . 23 LEU HG . 28117 1 214 . 1 . 1 23 23 LEU HD11 H 1 0.514 . . 1 . . 576 . . 23 LEU HD11 . 28117 1 215 . 1 . 1 23 23 LEU HD12 H 1 0.514 . . 1 . . 576 . . 23 LEU HD12 . 28117 1 216 . 1 . 1 23 23 LEU HD13 H 1 0.514 . . 1 . . 576 . . 23 LEU HD13 . 28117 1 217 . 1 . 1 23 23 LEU HD21 H 1 0.514 . . 1 . . 575 . . 23 LEU HD21 . 28117 1 218 . 1 . 1 23 23 LEU HD22 H 1 0.514 . . 1 . . 575 . . 23 LEU HD22 . 28117 1 219 . 1 . 1 23 23 LEU HD23 H 1 0.514 . . 1 . . 575 . . 23 LEU HD23 . 28117 1 220 . 1 . 1 23 23 LEU C C 13 178.175 0.002 . 1 . . 399 . . 23 LEU C . 28117 1 221 . 1 . 1 23 23 LEU CA C 13 56.974 0.066 . 1 . . 397 . . 23 LEU CA . 28117 1 222 . 1 . 1 23 23 LEU CB C 13 41.902 . . 1 . . 398 . . 23 LEU CB . 28117 1 223 . 1 . 1 23 23 LEU N N 15 120.200 0.07 . 1 . . 146 . . 23 LEU N . 28117 1 224 . 1 . 1 24 24 GLU H H 1 8.575 0.002 . 1 . . 127 . . 24 GLU H . 28117 1 225 . 1 . 1 24 24 GLU HA H 1 3.554 0.009 . 1 . . 581 . . 24 GLU HA . 28117 1 226 . 1 . 1 24 24 GLU HB2 H 1 2.040 0.006 . 1 . . 582 . . 24 GLU HB2 . 28117 1 227 . 1 . 1 24 24 GLU HB3 H 1 2.040 0.006 . 1 . . 583 . . 24 GLU HB3 . 28117 1 228 . 1 . 1 24 24 GLU HG2 H 1 2.054 . . 1 . . 956 . . 24 GLU HG2 . 28117 1 229 . 1 . 1 24 24 GLU HG3 H 1 2.054 . . 1 . . 955 . . 24 GLU HG3 . 28117 1 230 . 1 . 1 24 24 GLU C C 13 178.035 0.009 . 1 . . 370 . . 24 GLU C . 28117 1 231 . 1 . 1 24 24 GLU CA C 13 59.929 0.046 . 1 . . 369 . . 24 GLU CA . 28117 1 232 . 1 . 1 24 24 GLU CB C 13 28.879 0.043 . 1 . . 371 . . 24 GLU CB . 28117 1 233 . 1 . 1 24 24 GLU CG C 13 35.627 0.064 . 1 . . 580 . . 24 GLU CG . 28117 1 234 . 1 . 1 24 24 GLU N N 15 120.835 0.045 . 1 . . 128 . . 24 GLU N . 28117 1 235 . 1 . 1 25 25 GLN H H 1 7.958 0.001 . 1 . . 31 . . 25 GLN H . 28117 1 236 . 1 . 1 25 25 GLN HA H 1 3.888 0.005 . 1 . . 585 . . 25 GLN HA . 28117 1 237 . 1 . 1 25 25 GLN HB2 H 1 2.093 0.013 . 1 . . 587 . . 25 GLN HB2 . 28117 1 238 . 1 . 1 25 25 GLN HB3 H 1 2.119 0.023 . 1 . . 586 . . 25 GLN HB3 . 28117 1 239 . 1 . 1 25 25 GLN HG2 H 1 2.427 0.004 . 1 . . 588 . . 25 GLN HG2 . 28117 1 240 . 1 . 1 25 25 GLN HG3 H 1 2.296 0.005 . 1 . . 589 . . 25 GLN HG3 . 28117 1 241 . 1 . 1 25 25 GLN C C 13 178.264 0.007 . 1 . . 228 . . 25 GLN C . 28117 1 242 . 1 . 1 25 25 GLN CA C 13 58.635 0.028 . 1 . . 227 . . 25 GLN CA . 28117 1 243 . 1 . 1 25 25 GLN CB C 13 27.717 0.021 . 1 . . 229 . . 25 GLN CB . 28117 1 244 . 1 . 1 25 25 GLN CG C 13 33.453 0.012 . 1 . . 584 . . 25 GLN CG . 28117 1 245 . 1 . 1 25 25 GLN N N 15 118.177 0.006 . 1 . . 32 . . 25 GLN N . 28117 1 246 . 1 . 1 26 26 VAL H H 1 7.478 0.001 . 1 . . 59 . . 26 VAL H . 28117 1 247 . 1 . 1 26 26 VAL HA H 1 3.866 0.007 . 1 . . 592 . . 26 VAL HA . 28117 1 248 . 1 . 1 26 26 VAL HB H 1 2.054 0.008 . 1 . . 593 . . 26 VAL HB . 28117 1 249 . 1 . 1 26 26 VAL HG11 H 1 0.974 0.011 . 1 . . 594 . . 26 VAL HG11 . 28117 1 250 . 1 . 1 26 26 VAL HG12 H 1 0.974 0.011 . 1 . . 594 . . 26 VAL HG12 . 28117 1 251 . 1 . 1 26 26 VAL HG13 H 1 0.974 0.011 . 1 . . 594 . . 26 VAL HG13 . 28117 1 252 . 1 . 1 26 26 VAL HG21 H 1 0.656 0.003 . 1 . . 595 . . 26 VAL HG21 . 28117 1 253 . 1 . 1 26 26 VAL HG22 H 1 0.656 0.003 . 1 . . 595 . . 26 VAL HG22 . 28117 1 254 . 1 . 1 26 26 VAL HG23 H 1 0.656 0.003 . 1 . . 595 . . 26 VAL HG23 . 28117 1 255 . 1 . 1 26 26 VAL C C 13 176.972 0.007 . 1 . . 269 . . 26 VAL C . 28117 1 256 . 1 . 1 26 26 VAL CA C 13 64.036 0.141 . 1 . . 268 . . 26 VAL CA . 28117 1 257 . 1 . 1 26 26 VAL CB C 13 31.691 0.14 . 1 . . 270 . . 26 VAL CB . 28117 1 258 . 1 . 1 26 26 VAL CG1 C 13 21.025 0.161 . 1 . . 591 . . 26 VAL CG1 . 28117 1 259 . 1 . 1 26 26 VAL CG2 C 13 20.991 0.114 . 1 . . 590 . . 26 VAL CG2 . 28117 1 260 . 1 . 1 26 26 VAL N N 15 115.958 0.005 . 1 . . 60 . . 26 VAL N . 28117 1 261 . 1 . 1 27 27 PHE H H 1 8.143 0.002 . 1 . . 169 . . 27 PHE H . 28117 1 262 . 1 . 1 27 27 PHE HA H 1 4.492 0.009 . 1 . . 596 . . 27 PHE HA . 28117 1 263 . 1 . 1 27 27 PHE HB2 H 1 3.257 0.01 . 1 . . 597 . . 27 PHE HB2 . 28117 1 264 . 1 . 1 27 27 PHE HB3 H 1 2.838 0.015 . 1 . . 598 . . 27 PHE HB3 . 28117 1 265 . 1 . 1 27 27 PHE C C 13 176.985 0.006 . 1 . . 430 . . 27 PHE C . 28117 1 266 . 1 . 1 27 27 PHE CA C 13 61.680 0.104 . 1 . . 432 . . 27 PHE CA . 28117 1 267 . 1 . 1 27 27 PHE CB C 13 39.018 0.022 . 1 . . 431 . . 27 PHE CB . 28117 1 268 . 1 . 1 27 27 PHE N N 15 116.752 0.015 . 1 . . 170 . . 27 PHE N . 28117 1 269 . 1 . 1 28 28 SER H H 1 8.388 0.001 . 1 . . 85 . . 28 SER H . 28117 1 270 . 1 . 1 28 28 SER HA H 1 4.423 0.012 . 1 . . 599 . . 28 SER HA . 28117 1 271 . 1 . 1 28 28 SER HB2 H 1 4.070 0.008 . 1 . . 600 . . 28 SER HB2 . 28117 1 272 . 1 . 1 28 28 SER HB3 H 1 3.928 0.002 . 1 . . 601 . . 28 SER HB3 . 28117 1 273 . 1 . 1 28 28 SER C C 13 175.083 . . 1 . . 456 . . 28 SER C . 28117 1 274 . 1 . 1 28 28 SER CA C 13 60.792 0.143 . 1 . . 308 . . 28 SER CA . 28117 1 275 . 1 . 1 28 28 SER CB C 13 62.304 0.127 . 1 . . 309 . . 28 SER CB . 28117 1 276 . 1 . 1 28 28 SER N N 15 116.472 0.016 . 1 . . 86 . . 28 SER N . 28117 1 277 . 1 . 1 29 29 LYS H H 1 7.015 0.001 . 1 . . 101 . . 29 LYS H . 28117 1 278 . 1 . 1 29 29 LYS HA H 1 3.836 0.005 . 1 . . 605 . . 29 LYS HA . 28117 1 279 . 1 . 1 29 29 LYS HB2 H 1 1.335 0.014 . 1 . . 609 . . 29 LYS HB2 . 28117 1 280 . 1 . 1 29 29 LYS HB3 H 1 1.141 0.007 . 1 . . 958 . . 29 LYS HB3 . 28117 1 281 . 1 . 1 29 29 LYS HG2 H 1 0.798 0.004 . 1 . . 612 . . 29 LYS HG2 . 28117 1 282 . 1 . 1 29 29 LYS HG3 H 1 0.564 0.004 . 1 . . 613 . . 29 LYS HG3 . 28117 1 283 . 1 . 1 29 29 LYS HD2 H 1 1.316 . . 1 . . 960 . . 29 LYS HD2 . 28117 1 284 . 1 . 1 29 29 LYS HD3 H 1 1.316 . . 1 . . 959 . . 29 LYS HD3 . 28117 1 285 . 1 . 1 29 29 LYS HE2 H 1 2.686 0.002 . 1 . . 607 . . 29 LYS HE2 . 28117 1 286 . 1 . 1 29 29 LYS HE3 H 1 2.686 0.002 . 1 . . 606 . . 29 LYS HE3 . 28117 1 287 . 1 . 1 29 29 LYS C C 13 176.470 0.008 . 1 . . 333 . . 29 LYS C . 28117 1 288 . 1 . 1 29 29 LYS CA C 13 56.975 0.068 . 1 . . 331 . . 29 LYS CA . 28117 1 289 . 1 . 1 29 29 LYS CB C 13 30.887 0.066 . 1 . . 332 . . 29 LYS CB . 28117 1 290 . 1 . 1 29 29 LYS CG C 13 22.811 0.039 . 1 . . 602 . . 29 LYS CG . 28117 1 291 . 1 . 1 29 29 LYS CD C 13 27.981 0.022 . 1 . . 603 . . 29 LYS CD . 28117 1 292 . 1 . 1 29 29 LYS CE C 13 41.131 0.0 . 1 . . 604 . . 29 LYS CE . 28117 1 293 . 1 . 1 29 29 LYS N N 15 120.229 0.025 . 1 . . 102 . . 29 LYS N . 28117 1 294 . 1 . 1 30 30 TYR H H 1 7.534 0.002 . 1 . . 95 . . 30 TYR H . 28117 1 295 . 1 . 1 30 30 TYR HA H 1 4.101 0.009 . 1 . . 614 . . 30 TYR HA . 28117 1 296 . 1 . 1 30 30 TYR HB2 H 1 3.122 0.008 . 1 . . 615 . . 30 TYR HB2 . 28117 1 297 . 1 . 1 30 30 TYR HB3 H 1 2.761 0.004 . 1 . . 616 . . 30 TYR HB3 . 28117 1 298 . 1 . 1 30 30 TYR C C 13 173.666 0.0 . 1 . . 324 . . 30 TYR C . 28117 1 299 . 1 . 1 30 30 TYR CA C 13 58.864 0.065 . 1 . . 323 . . 30 TYR CA . 28117 1 300 . 1 . 1 30 30 TYR CB C 13 38.227 0.069 . 1 . . 325 . . 30 TYR CB . 28117 1 301 . 1 . 1 30 30 TYR N N 15 116.481 0.026 . 1 . . 96 . . 30 TYR N . 28117 1 302 . 1 . 1 31 31 GLY H H 1 7.237 0.003 . 1 . . 51 . . 31 GLY H . 28117 1 303 . 1 . 1 31 31 GLY HA2 H 1 4.762 0.0 . 1 . . 617 . . 31 GLY HA2 . 28117 1 304 . 1 . 1 31 31 GLY HA3 H 1 3.675 0.001 . 1 . . 618 . . 31 GLY HA3 . 28117 1 305 . 1 . 1 31 31 GLY C C 13 178.305 . . 1 . . 258 . . 31 GLY C . 28117 1 306 . 1 . 1 31 31 GLY CA C 13 43.880 0.115 . 1 . . 257 . . 31 GLY CA . 28117 1 307 . 1 . 1 31 31 GLY N N 15 105.731 0.018 . 1 . . 52 . . 31 GLY N . 28117 1 308 . 1 . 1 32 32 GLN H H 1 8.180 0.001 . 1 . . 69 . . 32 GLN H . 28117 1 309 . 1 . 1 32 32 GLN HA H 1 4.066 0.005 . 1 . . 620 . . 32 GLN HA . 28117 1 310 . 1 . 1 32 32 GLN HB2 H 1 1.933 0.022 . 1 . . 622 . . 32 GLN HB2 . 28117 1 311 . 1 . 1 32 32 GLN HB3 H 1 1.900 0.024 . 1 . . 621 . . 32 GLN HB3 . 28117 1 312 . 1 . 1 32 32 GLN HG2 H 1 2.191 0.024 . 1 . . 624 . . 32 GLN HG2 . 28117 1 313 . 1 . 1 32 32 GLN HG3 H 1 2.165 0.014 . 1 . . 623 . . 32 GLN HG3 . 28117 1 314 . 1 . 1 32 32 GLN C C 13 176.193 0.002 . 1 . . 284 . . 32 GLN C . 28117 1 315 . 1 . 1 32 32 GLN CA C 13 56.359 0.05 . 1 . . 285 . . 32 GLN CA . 28117 1 316 . 1 . 1 32 32 GLN CB C 13 28.554 0.068 . 1 . . 283 . . 32 GLN CB . 28117 1 317 . 1 . 1 32 32 GLN CG C 13 33.108 0.032 . 1 . . 619 . . 32 GLN CG . 28117 1 318 . 1 . 1 32 32 GLN N N 15 116.807 0.018 . 1 . . 70 . . 32 GLN N . 28117 1 319 . 1 . 1 33 33 ILE H H 1 8.694 0.001 . 1 . . 63 . . 33 ILE H . 28117 1 320 . 1 . 1 33 33 ILE HA H 1 3.884 0.008 . 1 . . 628 . . 33 ILE HA . 28117 1 321 . 1 . 1 33 33 ILE HB H 1 1.434 0.02 . 1 . . 629 . . 33 ILE HB . 28117 1 322 . 1 . 1 33 33 ILE HG12 H 1 1.360 0.006 . 1 . . 961 . . 33 ILE HG12 . 28117 1 323 . 1 . 1 33 33 ILE HG13 H 1 -0.161 0.015 . 1 . . 632 . . 33 ILE HG13 . 28117 1 324 . 1 . 1 33 33 ILE HG21 H 1 0.378 . . 1 . . 962 . . 33 ILE HG21 . 28117 1 325 . 1 . 1 33 33 ILE HG22 H 1 0.378 . . 1 . . 962 . . 33 ILE HG22 . 28117 1 326 . 1 . 1 33 33 ILE HG23 H 1 0.378 . . 1 . . 962 . . 33 ILE HG23 . 28117 1 327 . 1 . 1 33 33 ILE HD11 H 1 0.317 0.041 . 1 . . 630 . . 33 ILE HD11 . 28117 1 328 . 1 . 1 33 33 ILE HD12 H 1 0.317 0.041 . 1 . . 630 . . 33 ILE HD12 . 28117 1 329 . 1 . 1 33 33 ILE HD13 H 1 0.317 0.041 . 1 . . 630 . . 33 ILE HD13 . 28117 1 330 . 1 . 1 33 33 ILE C C 13 175.818 0.01 . 1 . . 276 . . 33 ILE C . 28117 1 331 . 1 . 1 33 33 ILE CA C 13 59.897 0.095 . 1 . . 274 . . 33 ILE CA . 28117 1 332 . 1 . 1 33 33 ILE CB C 13 39.443 0.041 . 1 . . 275 . . 33 ILE CB . 28117 1 333 . 1 . 1 33 33 ILE CG1 C 13 27.270 0.041 . 1 . . 625 . . 33 ILE CG1 . 28117 1 334 . 1 . 1 33 33 ILE CG2 C 13 17.429 0.029 . 1 . . 626 . . 33 ILE CG2 . 28117 1 335 . 1 . 1 33 33 ILE CD1 C 13 13.388 0.042 . 1 . . 627 . . 33 ILE CD1 . 28117 1 336 . 1 . 1 33 33 ILE N N 15 130.319 0.006 . 1 . . 64 . . 33 ILE N . 28117 1 337 . 1 . 1 34 34 SER H H 1 8.941 0.002 . 1 . . 61 . . 34 SER H . 28117 1 338 . 1 . 1 34 34 SER HA H 1 4.389 0.006 . 1 . . 635 . . 34 SER HA . 28117 1 339 . 1 . 1 34 34 SER HB2 H 1 3.485 0.004 . 1 . . 634 . . 34 SER HB2 . 28117 1 340 . 1 . 1 34 34 SER HB3 H 1 3.483 0.004 . 1 . . 633 . . 34 SER HB3 . 28117 1 341 . 1 . 1 34 34 SER C C 13 174.028 0.014 . 1 . . 459 . . 34 SER C . 28117 1 342 . 1 . 1 34 34 SER CA C 13 58.162 0.085 . 1 . . 271 . . 34 SER CA . 28117 1 343 . 1 . 1 34 34 SER CB C 13 63.735 0.187 . 1 . . 272 . . 34 SER CB . 28117 1 344 . 1 . 1 34 34 SER N N 15 123.125 0.025 . 1 . . 62 . . 34 SER N . 28117 1 345 . 1 . 1 35 35 GLU H H 1 7.124 0.001 . 1 . . 89 . . 35 GLU H . 28117 1 346 . 1 . 1 35 35 GLU HA H 1 4.321 0.007 . 1 . . 637 . . 35 GLU HA . 28117 1 347 . 1 . 1 35 35 GLU HB2 H 1 1.826 0.009 . 1 . . 641 . . 35 GLU HB2 . 28117 1 348 . 1 . 1 35 35 GLU HB3 H 1 1.648 0.005 . 1 . . 642 . . 35 GLU HB3 . 28117 1 349 . 1 . 1 35 35 GLU HG2 H 1 2.001 0.005 . 1 . . 644 . . 35 GLU HG2 . 28117 1 350 . 1 . 1 35 35 GLU HG3 H 1 1.810 0.007 . 1 . . 963 . . 35 GLU HG3 . 28117 1 351 . 1 . 1 35 35 GLU C C 13 172.662 0.002 . 1 . . 315 . . 35 GLU C . 28117 1 352 . 1 . 1 35 35 GLU CA C 13 56.112 0.082 . 1 . . 314 . . 35 GLU CA . 28117 1 353 . 1 . 1 35 35 GLU CB C 13 32.828 0.058 . 1 . . 316 . . 35 GLU CB . 28117 1 354 . 1 . 1 35 35 GLU CG C 13 36.388 0.017 . 1 . . 636 . . 35 GLU CG . 28117 1 355 . 1 . 1 35 35 GLU N N 15 121.013 0.01 . 1 . . 90 . . 35 GLU N . 28117 1 356 . 1 . 1 36 36 VAL H H 1 8.366 0.001 . 1 . . 123 . . 36 VAL H . 28117 1 357 . 1 . 1 36 36 VAL HA H 1 4.589 0.01 . 1 . . 647 . . 36 VAL HA . 28117 1 358 . 1 . 1 36 36 VAL HB H 1 1.766 0.009 . 1 . . 648 . . 36 VAL HB . 28117 1 359 . 1 . 1 36 36 VAL HG11 H 1 0.737 0.002 . 1 . . 650 . . 36 VAL HG11 . 28117 1 360 . 1 . 1 36 36 VAL HG12 H 1 0.737 0.002 . 1 . . 650 . . 36 VAL HG12 . 28117 1 361 . 1 . 1 36 36 VAL HG13 H 1 0.737 0.002 . 1 . . 650 . . 36 VAL HG13 . 28117 1 362 . 1 . 1 36 36 VAL HG21 H 1 0.759 . . 1 . . 1009 . . 36 VAL HG21 . 28117 1 363 . 1 . 1 36 36 VAL HG22 H 1 0.759 . . 1 . . 1009 . . 36 VAL HG22 . 28117 1 364 . 1 . 1 36 36 VAL HG23 H 1 0.759 . . 1 . . 1009 . . 36 VAL HG23 . 28117 1 365 . 1 . 1 36 36 VAL C C 13 172.946 0.022 . 1 . . 364 . . 36 VAL C . 28117 1 366 . 1 . 1 36 36 VAL CA C 13 60.689 0.131 . 1 . . 363 . . 36 VAL CA . 28117 1 367 . 1 . 1 36 36 VAL CB C 13 33.996 0.089 . 1 . . 365 . . 36 VAL CB . 28117 1 368 . 1 . 1 36 36 VAL CG1 C 13 21.846 0.072 . 1 . . 645 . . 36 VAL CG1 . 28117 1 369 . 1 . 1 36 36 VAL CG2 C 13 21.596 . . 1 . . 1010 . . 36 VAL CG2 . 28117 1 370 . 1 . 1 36 36 VAL N N 15 125.560 0.011 . 1 . . 124 . . 36 VAL N . 28117 1 371 . 1 . 1 37 37 VAL H H 1 8.662 0.001 . 1 . . 71 . . 37 VAL H . 28117 1 372 . 1 . 1 37 37 VAL HA H 1 4.408 0.006 . 1 . . 653 . . 37 VAL HA . 28117 1 373 . 1 . 1 37 37 VAL HB H 1 1.793 0.007 . 1 . . 654 . . 37 VAL HB . 28117 1 374 . 1 . 1 37 37 VAL HG11 H 1 0.782 0.013 . 1 . . 656 . . 37 VAL HG11 . 28117 1 375 . 1 . 1 37 37 VAL HG12 H 1 0.782 0.013 . 1 . . 656 . . 37 VAL HG12 . 28117 1 376 . 1 . 1 37 37 VAL HG13 H 1 0.782 0.013 . 1 . . 656 . . 37 VAL HG13 . 28117 1 377 . 1 . 1 37 37 VAL HG21 H 1 0.124 . . 1 . . 964 . . 37 VAL HG21 . 28117 1 378 . 1 . 1 37 37 VAL HG22 H 1 0.124 . . 1 . . 964 . . 37 VAL HG22 . 28117 1 379 . 1 . 1 37 37 VAL HG23 H 1 0.124 . . 1 . . 964 . . 37 VAL HG23 . 28117 1 380 . 1 . 1 37 37 VAL C C 13 173.974 0.013 . 1 . . 289 . . 37 VAL C . 28117 1 381 . 1 . 1 37 37 VAL CA C 13 60.066 0.055 . 1 . . 288 . . 37 VAL CA . 28117 1 382 . 1 . 1 37 37 VAL CB C 13 36.371 0.029 . 1 . . 286 . . 37 VAL CB . 28117 1 383 . 1 . 1 37 37 VAL CG1 C 13 20.396 0.224 . 1 . . 651 . . 37 VAL CG1 . 28117 1 384 . 1 . 1 37 37 VAL CG2 C 13 20.258 0.199 . 1 . . 652 . . 37 VAL CG2 . 28117 1 385 . 1 . 1 37 37 VAL N N 15 125.395 0.012 . 1 . . 72 . . 37 VAL N . 28117 1 386 . 1 . 1 38 38 VAL H H 1 8.339 0.002 . 1 . . 133 . . 38 VAL H . 28117 1 387 . 1 . 1 38 38 VAL HA H 1 3.820 0.009 . 1 . . 659 . . 38 VAL HA . 28117 1 388 . 1 . 1 38 38 VAL HB H 1 1.564 0.012 . 1 . . 660 . . 38 VAL HB . 28117 1 389 . 1 . 1 38 38 VAL HG11 H 1 0.391 0.009 . 1 . . 662 . . 38 VAL HG11 . 28117 1 390 . 1 . 1 38 38 VAL HG12 H 1 0.391 0.009 . 1 . . 662 . . 38 VAL HG12 . 28117 1 391 . 1 . 1 38 38 VAL HG13 H 1 0.391 0.009 . 1 . . 662 . . 38 VAL HG13 . 28117 1 392 . 1 . 1 38 38 VAL HG21 H 1 0.605 0.012 . 1 . . 965 . . 38 VAL HG21 . 28117 1 393 . 1 . 1 38 38 VAL HG22 H 1 0.605 0.012 . 1 . . 965 . . 38 VAL HG22 . 28117 1 394 . 1 . 1 38 38 VAL HG23 H 1 0.605 0.012 . 1 . . 965 . . 38 VAL HG23 . 28117 1 395 . 1 . 1 38 38 VAL C C 13 175.130 0.007 . 1 . . 381 . . 38 VAL C . 28117 1 396 . 1 . 1 38 38 VAL CA C 13 61.948 0.019 . 1 . . 382 . . 38 VAL CA . 28117 1 397 . 1 . 1 38 38 VAL CB C 13 32.557 0.066 . 1 . . 380 . . 38 VAL CB . 28117 1 398 . 1 . 1 38 38 VAL CG1 C 13 21.213 0.061 . 1 . . 657 . . 38 VAL CG1 . 28117 1 399 . 1 . 1 38 38 VAL CG2 C 13 20.271 0.057 . 1 . . 658 . . 38 VAL CG2 . 28117 1 400 . 1 . 1 38 38 VAL N N 15 126.998 0.013 . 1 . . 134 . . 38 VAL N . 28117 1 401 . 1 . 1 39 39 VAL H H 1 8.214 0.001 . 1 . . 111 . . 39 VAL H . 28117 1 402 . 1 . 1 39 39 VAL HA H 1 3.437 0.011 . 1 . . 666 . . 39 VAL HA . 28117 1 403 . 1 . 1 39 39 VAL HG11 H 1 0.788 . . 1 . . 1015 . . 39 VAL HG11 . 28117 1 404 . 1 . 1 39 39 VAL HG12 H 1 0.788 . . 1 . . 1015 . . 39 VAL HG12 . 28117 1 405 . 1 . 1 39 39 VAL HG13 H 1 0.788 . . 1 . . 1015 . . 39 VAL HG13 . 28117 1 406 . 1 . 1 39 39 VAL HG21 H 1 0.643 0.02 . 1 . . 667 . . 39 VAL HG21 . 28117 1 407 . 1 . 1 39 39 VAL HG22 H 1 0.643 0.02 . 1 . . 667 . . 39 VAL HG22 . 28117 1 408 . 1 . 1 39 39 VAL HG23 H 1 0.643 0.02 . 1 . . 667 . . 39 VAL HG23 . 28117 1 409 . 1 . 1 39 39 VAL C C 13 174.122 0.01 . 1 . . 347 . . 39 VAL C . 28117 1 410 . 1 . 1 39 39 VAL CA C 13 63.907 0.104 . 1 . . 348 . . 39 VAL CA . 28117 1 411 . 1 . 1 39 39 VAL CB C 13 29.719 0.069 . 1 . . 346 . . 39 VAL CB . 28117 1 412 . 1 . 1 39 39 VAL CG1 C 13 22.373 0.002 . 1 . . 664 . . 39 VAL CG1 . 28117 1 413 . 1 . 1 39 39 VAL CG2 C 13 21.111 . . 1 . . 1017 . . 39 VAL CG2 . 28117 1 414 . 1 . 1 39 39 VAL N N 15 130.726 0.016 . 1 . . 112 . . 39 VAL N . 28117 1 415 . 1 . 1 40 40 LYS H H 1 8.093 0.005 . 1 . . 119 . . 40 LYS H . 28117 1 416 . 1 . 1 40 40 LYS HA H 1 4.631 0.005 . 1 . . 672 . . 40 LYS HA . 28117 1 417 . 1 . 1 40 40 LYS HB2 H 1 1.264 0.0 . 1 . . 967 . . 40 LYS HB2 . 28117 1 418 . 1 . 1 40 40 LYS HB3 H 1 1.138 0.0 . 1 . . 968 . . 40 LYS HB3 . 28117 1 419 . 1 . 1 40 40 LYS HG2 H 1 0.893 0.003 . 1 . . 678 . . 40 LYS HG2 . 28117 1 420 . 1 . 1 40 40 LYS HG3 H 1 0.893 0.003 . 1 . . 679 . . 40 LYS HG3 . 28117 1 421 . 1 . 1 40 40 LYS HD2 H 1 1.260 . . 1 . . 676 . . 40 LYS HD2 . 28117 1 422 . 1 . 1 40 40 LYS HD3 H 1 1.128 . . 1 . . 675 . . 40 LYS HD3 . 28117 1 423 . 1 . 1 40 40 LYS HE2 H 1 2.876 0.038 . 1 . . 673 . . 40 LYS HE2 . 28117 1 424 . 1 . 1 40 40 LYS HE3 H 1 2.876 0.038 . 1 . . 674 . . 40 LYS HE3 . 28117 1 425 . 1 . 1 40 40 LYS C C 13 176.312 0.016 . 1 . . 358 . . 40 LYS C . 28117 1 426 . 1 . 1 40 40 LYS CA C 13 53.235 0.039 . 1 . . 357 . . 40 LYS CA . 28117 1 427 . 1 . 1 40 40 LYS CB C 13 34.925 0.055 . 1 . . 359 . . 40 LYS CB . 28117 1 428 . 1 . 1 40 40 LYS CG C 13 23.918 0.008 . 1 . . 671 . . 40 LYS CG . 28117 1 429 . 1 . 1 40 40 LYS CD C 13 27.954 . . 1 . . 670 . . 40 LYS CD . 28117 1 430 . 1 . 1 40 40 LYS CE C 13 41.457 . . 1 . . 669 . . 40 LYS CE . 28117 1 431 . 1 . 1 40 40 LYS N N 15 125.515 0.086 . 1 . . 120 . . 40 LYS N . 28117 1 432 . 1 . 1 41 41 ASP H H 1 8.517 0.002 . 1 . . 87 . . 41 ASP H . 28117 1 433 . 1 . 1 41 41 ASP HA H 1 4.315 0.006 . 1 . . 681 . . 41 ASP HA . 28117 1 434 . 1 . 1 41 41 ASP HB2 H 1 2.807 0.01 . 1 . . 682 . . 41 ASP HB2 . 28117 1 435 . 1 . 1 41 41 ASP HB3 H 1 2.351 0.004 . 1 . . 683 . . 41 ASP HB3 . 28117 1 436 . 1 . 1 41 41 ASP C C 13 176.820 . . 1 . . 312 . . 41 ASP C . 28117 1 437 . 1 . 1 41 41 ASP CA C 13 53.716 0.109 . 1 . . 969 . . 41 ASP CA . 28117 1 438 . 1 . 1 41 41 ASP CB C 13 42.462 0.203 . 1 . . 313 . . 41 ASP CB . 28117 1 439 . 1 . 1 41 41 ASP N N 15 124.242 0.036 . 1 . . 88 . . 41 ASP N . 28117 1 440 . 1 . 1 42 42 ARG H H 1 8.813 0.001 . 1 . . 27 . . 42 ARG H . 28117 1 441 . 1 . 1 42 42 ARG HA H 1 3.818 0.006 . 1 . . 686 . . 42 ARG HA . 28117 1 442 . 1 . 1 42 42 ARG HB2 H 1 1.757 0.01 . 1 . . 687 . . 42 ARG HB2 . 28117 1 443 . 1 . 1 42 42 ARG HB3 H 1 1.757 0.01 . 1 . . 688 . . 42 ARG HB3 . 28117 1 444 . 1 . 1 42 42 ARG HG2 H 1 1.530 0.014 . 1 . . 690 . . 42 ARG HG2 . 28117 1 445 . 1 . 1 42 42 ARG HG3 H 1 1.530 0.014 . 1 . . 689 . . 42 ARG HG3 . 28117 1 446 . 1 . 1 42 42 ARG HD2 H 1 3.094 0.009 . 1 . . 691 . . 42 ARG HD2 . 28117 1 447 . 1 . 1 42 42 ARG HD3 H 1 3.094 0.009 . 1 . . 692 . . 42 ARG HD3 . 28117 1 448 . 1 . 1 42 42 ARG C C 13 176.834 0.009 . 1 . . 222 . . 42 ARG C . 28117 1 449 . 1 . 1 42 42 ARG CA C 13 58.373 0.044 . 1 . . 223 . . 42 ARG CA . 28117 1 450 . 1 . 1 42 42 ARG CB C 13 29.600 0.046 . 1 . . 221 . . 42 ARG CB . 28117 1 451 . 1 . 1 42 42 ARG CG C 13 26.612 0.065 . 1 . . 684 . . 42 ARG CG . 28117 1 452 . 1 . 1 42 42 ARG CD C 13 42.715 0.113 . 1 . . 685 . . 42 ARG CD . 28117 1 453 . 1 . 1 42 42 ARG N N 15 127.985 0.015 . 1 . . 28 . . 42 ARG N . 28117 1 454 . 1 . 1 43 43 GLU H H 1 8.466 0.001 . 1 . . 91 . . 43 GLU H . 28117 1 455 . 1 . 1 43 43 GLU HA H 1 4.123 0.005 . 1 . . 694 . . 43 GLU HA . 28117 1 456 . 1 . 1 43 43 GLU HB2 H 1 2.003 0.007 . 1 . . 698 . . 43 GLU HB2 . 28117 1 457 . 1 . 1 43 43 GLU HB3 H 1 2.003 0.007 . 1 . . 697 . . 43 GLU HB3 . 28117 1 458 . 1 . 1 43 43 GLU HG2 H 1 2.138 0.021 . 1 . . 696 . . 43 GLU HG2 . 28117 1 459 . 1 . 1 43 43 GLU HG3 H 1 2.117 0.009 . 1 . . 695 . . 43 GLU HG3 . 28117 1 460 . 1 . 1 43 43 GLU C C 13 177.874 0.005 . 1 . . 317 . . 43 GLU C . 28117 1 461 . 1 . 1 43 43 GLU CA C 13 58.116 0.07 . 1 . . 318 . . 43 GLU CA . 28117 1 462 . 1 . 1 43 43 GLU CB C 13 29.722 0.077 . 1 . . 319 . . 43 GLU CB . 28117 1 463 . 1 . 1 43 43 GLU CG C 13 36.149 0.02 . 1 . . 693 . . 43 GLU CG . 28117 1 464 . 1 . 1 43 43 GLU N N 15 117.930 0.012 . 1 . . 92 . . 43 GLU N . 28117 1 465 . 1 . 1 44 44 THR H H 1 8.027 0.001 . 1 . . 37 . . 44 THR H . 28117 1 466 . 1 . 1 44 44 THR HA H 1 4.180 0.013 . 1 . . 701 . . 44 THR HA . 28117 1 467 . 1 . 1 44 44 THR HB H 1 4.174 0.005 . 1 . . 970 . . 44 THR HB . 28117 1 468 . 1 . 1 44 44 THR HG21 H 1 1.049 0.002 . 1 . . 700 . . 44 THR HG1 . 28117 1 469 . 1 . 1 44 44 THR HG22 H 1 1.049 0.002 . 1 . . 700 . . 44 THR HG1 . 28117 1 470 . 1 . 1 44 44 THR HG23 H 1 1.049 0.002 . 1 . . 700 . . 44 THR HG1 . 28117 1 471 . 1 . 1 44 44 THR C C 13 175.308 0.004 . 1 . . 238 . . 44 THR C . 28117 1 472 . 1 . 1 44 44 THR CA C 13 61.390 0.144 . 1 . . 236 . . 44 THR CA . 28117 1 473 . 1 . 1 44 44 THR CB C 13 70.118 0.215 . 1 . . 237 . . 44 THR CB . 28117 1 474 . 1 . 1 44 44 THR CG2 C 13 20.512 0.007 . 1 . . 699 . . 44 THR CG2 . 28117 1 475 . 1 . 1 44 44 THR N N 15 108.175 0.007 . 1 . . 38 . . 44 THR N . 28117 1 476 . 1 . 1 45 45 GLN H H 1 8.015 0.001 . 1 . . 53 . . 45 GLN H . 28117 1 477 . 1 . 1 45 45 GLN HA H 1 3.722 0.006 . 1 . . 703 . . 45 GLN HA . 28117 1 478 . 1 . 1 45 45 GLN HB2 H 1 2.163 0.077 . 1 . . 706 . . 45 GLN HB2 . 28117 1 479 . 1 . 1 45 45 GLN HB3 H 1 2.163 0.077 . 1 . . 707 . . 45 GLN HB3 . 28117 1 480 . 1 . 1 45 45 GLN HG2 H 1 2.112 0.055 . 1 . . 705 . . 45 GLN HG2 . 28117 1 481 . 1 . 1 45 45 GLN HG3 H 1 2.112 0.055 . 1 . . 704 . . 45 GLN HG3 . 28117 1 482 . 1 . 1 45 45 GLN C C 13 173.549 0.001 . 1 . . 260 . . 45 GLN C . 28117 1 483 . 1 . 1 45 45 GLN CA C 13 56.756 0.063 . 1 . . 261 . . 45 GLN CA . 28117 1 484 . 1 . 1 45 45 GLN CB C 13 25.379 0.073 . 1 . . 259 . . 45 GLN CB . 28117 1 485 . 1 . 1 45 45 GLN CG C 13 33.384 0.068 . 1 . . 702 . . 45 GLN CG . 28117 1 486 . 1 . 1 45 45 GLN N N 15 115.000 0.017 . 1 . . 54 . . 45 GLN N . 28117 1 487 . 1 . 1 46 46 ARG H H 1 7.517 0.001 . 1 . . 167 . . 46 ARG H . 28117 1 488 . 1 . 1 46 46 ARG HA H 1 4.219 0.002 . 1 . . 710 . . 46 ARG HA . 28117 1 489 . 1 . 1 46 46 ARG HB2 H 1 1.652 0.009 . 1 . . 715 . . 46 ARG HB2 . 28117 1 490 . 1 . 1 46 46 ARG HB3 H 1 1.523 0.087 . 1 . . 716 . . 46 ARG HB3 . 28117 1 491 . 1 . 1 46 46 ARG HG2 H 1 1.495 0.027 . 1 . . 713 . . 46 ARG HG2 . 28117 1 492 . 1 . 1 46 46 ARG HG3 H 1 1.315 . . 1 . . 1008 . . 46 ARG HG3 . 28117 1 493 . 1 . 1 46 46 ARG HD2 H 1 2.951 0.002 . 1 . . 712 . . 46 ARG HD2 . 28117 1 494 . 1 . 1 46 46 ARG HD3 H 1 2.951 0.002 . 1 . . 711 . . 46 ARG HD3 . 28117 1 495 . 1 . 1 46 46 ARG C C 13 175.751 0.01 . 1 . . 428 . . 46 ARG C . 28117 1 496 . 1 . 1 46 46 ARG CA C 13 54.666 0.03 . 1 . . 427 . . 46 ARG CA . 28117 1 497 . 1 . 1 46 46 ARG CB C 13 30.969 0.015 . 1 . . 429 . . 46 ARG CB . 28117 1 498 . 1 . 1 46 46 ARG CG C 13 26.746 0.091 . 1 . . 709 . . 46 ARG CG . 28117 1 499 . 1 . 1 46 46 ARG CD C 13 42.639 0.045 . 1 . . 708 . . 46 ARG CD . 28117 1 500 . 1 . 1 46 46 ARG N N 15 118.943 0.011 . 1 . . 168 . . 46 ARG N . 28117 1 501 . 1 . 1 47 47 SER H H 1 8.661 0.001 . 1 . . 5 . . 47 SER H . 28117 1 502 . 1 . 1 47 47 SER HA H 1 4.076 0.008 . 1 . . 717 . . 47 SER HA . 28117 1 503 . 1 . 1 47 47 SER HB2 H 1 3.931 0.004 . 1 . . 719 . . 47 SER HB2 . 28117 1 504 . 1 . 1 47 47 SER HB3 H 1 3.779 0.005 . 1 . . 718 . . 47 SER HB3 . 28117 1 505 . 1 . 1 47 47 SER C C 13 175.119 0.006 . 1 . . 194 . . 47 SER C . 28117 1 506 . 1 . 1 47 47 SER CA C 13 57.716 0.123 . 1 . . 192 . . 47 SER CA . 28117 1 507 . 1 . 1 47 47 SER CB C 13 63.435 0.083 . 1 . . 193 . . 47 SER CB . 28117 1 508 . 1 . 1 47 47 SER N N 15 117.358 0.025 . 1 . . 6 . . 47 SER N . 28117 1 509 . 1 . 1 48 48 ARG H H 1 8.962 0.002 . 1 . . 45 . . 48 ARG H . 28117 1 510 . 1 . 1 48 48 ARG HA H 1 4.260 0.008 . 1 . . 722 . . 48 ARG HA . 28117 1 511 . 1 . 1 48 48 ARG HB2 H 1 2.153 0.012 . 1 . . 725 . . 48 ARG HB2 . 28117 1 512 . 1 . 1 48 48 ARG HB3 H 1 0.913 0.013 . 1 . . 973 . . 48 ARG HB3 . 28117 1 513 . 1 . 1 48 48 ARG HG2 H 1 1.478 0.009 . 1 . . 971 . . 48 ARG HG2 . 28117 1 514 . 1 . 1 48 48 ARG HG3 H 1 1.478 0.009 . 1 . . 972 . . 48 ARG HG3 . 28117 1 515 . 1 . 1 48 48 ARG HD2 H 1 3.072 0.018 . 1 . . 724 . . 48 ARG HD2 . 28117 1 516 . 1 . 1 48 48 ARG HD3 H 1 2.891 0.006 . 1 . . 723 . . 48 ARG HD3 . 28117 1 517 . 1 . 1 48 48 ARG C C 13 177.413 0.012 . 1 . . 251 . . 48 ARG C . 28117 1 518 . 1 . 1 48 48 ARG CA C 13 55.523 0.105 . 1 . . 250 . . 48 ARG CA . 28117 1 519 . 1 . 1 48 48 ARG CB C 13 30.406 0.04 . 1 . . 248 . . 48 ARG CB . 28117 1 520 . 1 . 1 48 48 ARG CG C 13 27.357 0.124 . 1 . . 720 . . 48 ARG CG . 28117 1 521 . 1 . 1 48 48 ARG CD C 13 42.824 0.062 . 1 . . 721 . . 48 ARG CD . 28117 1 522 . 1 . 1 48 48 ARG N N 15 123.735 0.055 . 1 . . 46 . . 48 ARG N . 28117 1 523 . 1 . 1 49 49 GLY H H 1 9.510 0.002 . 1 . . 173 . . 49 GLY H . 28117 1 524 . 1 . 1 49 49 GLY HA2 H 1 4.025 0.008 . 1 . . 729 . . 49 GLY HA2 . 28117 1 525 . 1 . 1 49 49 GLY HA3 H 1 3.099 0.015 . 1 . . 730 . . 49 GLY HA3 . 28117 1 526 . 1 . 1 49 49 GLY C C 13 171.313 0.008 . 1 . . 437 . . 49 GLY C . 28117 1 527 . 1 . 1 49 49 GLY CA C 13 45.193 0.121 . 1 . . 436 . . 49 GLY CA . 28117 1 528 . 1 . 1 49 49 GLY N N 15 109.231 0.02 . 1 . . 174 . . 49 GLY N . 28117 1 529 . 1 . 1 50 50 PHE H H 1 6.970 0.001 . 1 . . 57 . . 50 PHE H . 28117 1 530 . 1 . 1 50 50 PHE HA H 1 5.041 0.01 . 1 . . 731 . . 50 PHE HA . 28117 1 531 . 1 . 1 50 50 PHE HB2 H 1 3.098 0.005 . 1 . . 732 . . 50 PHE HB2 . 28117 1 532 . 1 . 1 50 50 PHE HB3 H 1 2.839 0.005 . 1 . . 733 . . 50 PHE HB3 . 28117 1 533 . 1 . 1 50 50 PHE C C 13 171.501 0.019 . 1 . . 266 . . 50 PHE C . 28117 1 534 . 1 . 1 50 50 PHE CA C 13 54.328 0.057 . 1 . . 265 . . 50 PHE CA . 28117 1 535 . 1 . 1 50 50 PHE CB C 13 40.776 0.016 . 1 . . 267 . . 50 PHE CB . 28117 1 536 . 1 . 1 50 50 PHE N N 15 113.191 0.008 . 1 . . 58 . . 50 PHE N . 28117 1 537 . 1 . 1 51 51 GLY H H 1 8.682 0.001 . 1 . . 3 . . 51 GLY H . 28117 1 538 . 1 . 1 51 51 GLY HA2 H 1 3.914 0.024 . 1 . . 734 . . 51 GLY HA2 . 28117 1 539 . 1 . 1 51 51 GLY HA3 H 1 3.848 0.005 . 1 . . 735 . . 51 GLY HA3 . 28117 1 540 . 1 . 1 51 51 GLY C C 13 169.046 0.006 . 1 . . 190 . . 51 GLY C . 28117 1 541 . 1 . 1 51 51 GLY CA C 13 44.746 0.103 . 1 . . 191 . . 51 GLY CA . 28117 1 542 . 1 . 1 51 51 GLY N N 15 106.951 0.013 . 1 . . 4 . . 51 GLY N . 28117 1 543 . 1 . 1 52 52 PHE H H 1 8.881 0.001 . 1 . . 105 . . 52 PHE H . 28117 1 544 . 1 . 1 52 52 PHE HA H 1 5.732 0.014 . 1 . . 736 . . 52 PHE HA . 28117 1 545 . 1 . 1 52 52 PHE HB2 H 1 2.728 0.015 . 1 . . 737 . . 52 PHE HB2 . 28117 1 546 . 1 . 1 52 52 PHE HB3 H 1 2.450 0.011 . 1 . . 738 . . 52 PHE HB3 . 28117 1 547 . 1 . 1 52 52 PHE C C 13 174.670 0.014 . 1 . . 338 . . 52 PHE C . 28117 1 548 . 1 . 1 52 52 PHE CA C 13 55.521 0.09 . 1 . . 337 . . 52 PHE CA . 28117 1 549 . 1 . 1 52 52 PHE CB C 13 43.573 0.013 . 1 . . 339 . . 52 PHE CB . 28117 1 550 . 1 . 1 52 52 PHE N N 15 114.911 0.013 . 1 . . 106 . . 52 PHE N . 28117 1 551 . 1 . 1 53 53 VAL H H 1 8.626 0.002 . 1 . . 161 . . 53 VAL H . 28117 1 552 . 1 . 1 53 53 VAL HA H 1 4.269 0.009 . 1 . . 741 . . 53 VAL HA . 28117 1 553 . 1 . 1 53 53 VAL HB H 1 1.192 0.011 . 1 . . 742 . . 53 VAL HB . 28117 1 554 . 1 . 1 53 53 VAL HG11 H 1 0.114 . . 1 . . 976 . . 53 VAL HG11 . 28117 1 555 . 1 . 1 53 53 VAL HG12 H 1 0.114 . . 1 . . 976 . . 53 VAL HG12 . 28117 1 556 . 1 . 1 53 53 VAL HG13 H 1 0.114 . . 1 . . 976 . . 53 VAL HG13 . 28117 1 557 . 1 . 1 53 53 VAL HG21 H 1 0.123 0.012 . 1 . . 743 . . 53 VAL HG21 . 28117 1 558 . 1 . 1 53 53 VAL HG22 H 1 0.123 0.012 . 1 . . 743 . . 53 VAL HG22 . 28117 1 559 . 1 . 1 53 53 VAL HG23 H 1 0.123 0.012 . 1 . . 743 . . 53 VAL HG23 . 28117 1 560 . 1 . 1 53 53 VAL C C 13 173.516 0.001 . 1 . . 419 . . 53 VAL C . 28117 1 561 . 1 . 1 53 53 VAL CA C 13 60.310 0.029 . 1 . . 420 . . 53 VAL CA . 28117 1 562 . 1 . 1 53 53 VAL CB C 13 34.683 0.053 . 1 . . 418 . . 53 VAL CB . 28117 1 563 . 1 . 1 53 53 VAL CG1 C 13 21.081 . . 1 . . 975 . . 53 VAL CG1 . 28117 1 564 . 1 . 1 53 53 VAL CG2 C 13 20.091 0.032 . 1 . . 740 . . 53 VAL CG2 . 28117 1 565 . 1 . 1 53 53 VAL N N 15 122.896 0.023 . 1 . . 162 . . 53 VAL N . 28117 1 566 . 1 . 1 54 54 THR H H 1 8.861 0.001 . 1 . . 93 . . 54 THR H . 28117 1 567 . 1 . 1 54 54 THR HA H 1 4.909 0.013 . 1 . . 746 . . 54 THR HA . 28117 1 568 . 1 . 1 54 54 THR HB H 1 3.747 0.017 . 1 . . 747 . . 54 THR HB . 28117 1 569 . 1 . 1 54 54 THR HG1 H 1 0.869 0.001 . 1 . . 748 . . 54 THR HG1 . 28117 1 570 . 1 . 1 54 54 THR HG21 H 1 0.876 0.008 . 1 . . 978 . . 54 THR HG21 . 28117 1 571 . 1 . 1 54 54 THR HG22 H 1 0.876 0.008 . 1 . . 978 . . 54 THR HG22 . 28117 1 572 . 1 . 1 54 54 THR HG23 H 1 0.876 0.008 . 1 . . 978 . . 54 THR HG23 . 28117 1 573 . 1 . 1 54 54 THR C C 13 173.292 0.021 . 1 . . 321 . . 54 THR C . 28117 1 574 . 1 . 1 54 54 THR CA C 13 60.905 0.146 . 1 . . 322 . . 54 THR CA . 28117 1 575 . 1 . 1 54 54 THR CB C 13 68.769 0.143 . 1 . . 320 . . 54 THR CB . 28117 1 576 . 1 . 1 54 54 THR CG2 C 13 21.425 0.056 . 1 . . 745 . . 54 THR CG2 . 28117 1 577 . 1 . 1 54 54 THR N N 15 124.013 0.011 . 1 . . 94 . . 54 THR N . 28117 1 578 . 1 . 1 55 55 PHE H H 1 8.639 0.002 . 1 . . 139 . . 55 PHE H . 28117 1 579 . 1 . 1 55 55 PHE HA H 1 4.542 0.015 . 1 . . 749 . . 55 PHE HA . 28117 1 580 . 1 . 1 55 55 PHE HB2 H 1 3.568 0.011 . 1 . . 750 . . 55 PHE HB2 . 28117 1 581 . 1 . 1 55 55 PHE HB3 H 1 2.671 0.013 . 1 . . 751 . . 55 PHE HB3 . 28117 1 582 . 1 . 1 55 55 PHE C C 13 174.525 0.011 . 1 . . 389 . . 55 PHE C . 28117 1 583 . 1 . 1 55 55 PHE CA C 13 57.560 0.14 . 1 . . 390 . . 55 PHE CA . 28117 1 584 . 1 . 1 55 55 PHE CB C 13 39.961 0.024 . 1 . . 388 . . 55 PHE CB . 28117 1 585 . 1 . 1 55 55 PHE N N 15 128.165 0.013 . 1 . . 140 . . 55 PHE N . 28117 1 586 . 1 . 1 56 56 GLU H H 1 7.776 0.002 . 1 . . 165 . . 56 GLU H . 28117 1 587 . 1 . 1 56 56 GLU HA H 1 3.875 0.004 . 1 . . 753 . . 56 GLU HA . 28117 1 588 . 1 . 1 56 56 GLU HB2 H 1 1.933 0.005 . 1 . . 979 . . 56 GLU HB2 . 28117 1 589 . 1 . 1 56 56 GLU HB3 H 1 1.751 0.014 . 1 . . 755 . . 56 GLU HB3 . 28117 1 590 . 1 . 1 56 56 GLU HG2 H 1 1.999 0.01 . 1 . . 757 . . 56 GLU HG2 . 28117 1 591 . 1 . 1 56 56 GLU HG3 H 1 1.999 0.01 . 1 . . 756 . . 56 GLU HG3 . 28117 1 592 . 1 . 1 56 56 GLU C C 13 175.525 . . 1 . . 425 . . 56 GLU C . 28117 1 593 . 1 . 1 56 56 GLU CA C 13 58.266 0.04 . 1 . . 426 . . 56 GLU CA . 28117 1 594 . 1 . 1 56 56 GLU CB C 13 29.715 0.077 . 1 . . 424 . . 56 GLU CB . 28117 1 595 . 1 . 1 56 56 GLU CG C 13 35.808 0.006 . 1 . . 752 . . 56 GLU CG . 28117 1 596 . 1 . 1 56 56 GLU N N 15 120.952 0.013 . 1 . . 166 . . 56 GLU N . 28117 1 597 . 1 . 1 57 57 ASN H H 1 9.215 0.001 . 1 . . 103 . . 57 ASN H . 28117 1 598 . 1 . 1 57 57 ASN HA H 1 4.971 0.005 . 1 . . 758 . . 57 ASN HA . 28117 1 599 . 1 . 1 57 57 ASN HB2 H 1 2.835 0.008 . 1 . . 759 . . 57 ASN HB2 . 28117 1 600 . 1 . 1 57 57 ASN HB3 H 1 2.640 0.004 . 1 . . 760 . . 57 ASN HB3 . 28117 1 601 . 1 . 1 57 57 ASN C C 13 175.540 0.026 . 1 . . 334 . . 57 ASN C . 28117 1 602 . 1 . 1 57 57 ASN CA C 13 50.915 0.072 . 1 . . 336 . . 57 ASN CA . 28117 1 603 . 1 . 1 57 57 ASN CB C 13 39.575 0.101 . 1 . . 335 . . 57 ASN CB . 28117 1 604 . 1 . 1 57 57 ASN N N 15 117.360 0.011 . 1 . . 104 . . 57 ASN N . 28117 1 605 . 1 . 1 58 58 ILE H H 1 8.624 0.0 . 1 . . 19 . . 58 ILE H . 28117 1 606 . 1 . 1 58 58 ILE HA H 1 3.522 0.007 . 1 . . 764 . . 58 ILE HA . 28117 1 607 . 1 . 1 58 58 ILE HB H 1 1.652 0.01 . 1 . . 768 . . 58 ILE HB . 28117 1 608 . 1 . 1 58 58 ILE HG12 H 1 1.398 0.011 . 1 . . 767 . . 58 ILE HG12 . 28117 1 609 . 1 . 1 58 58 ILE HG13 H 1 0.963 0.013 . 1 . . 766 . . 58 ILE HG13 . 28117 1 610 . 1 . 1 58 58 ILE HG21 H 1 0.805 . . 1 . . 981 . . 58 ILE HG21 . 28117 1 611 . 1 . 1 58 58 ILE HG22 H 1 0.805 . . 1 . . 981 . . 58 ILE HG22 . 28117 1 612 . 1 . 1 58 58 ILE HG23 H 1 0.805 . . 1 . . 981 . . 58 ILE HG23 . 28117 1 613 . 1 . 1 58 58 ILE HD11 H 1 0.775 0.003 . 1 . . 765 . . 58 ILE HD11 . 28117 1 614 . 1 . 1 58 58 ILE HD12 H 1 0.775 0.003 . 1 . . 765 . . 58 ILE HD12 . 28117 1 615 . 1 . 1 58 58 ILE HD13 H 1 0.775 0.003 . 1 . . 765 . . 58 ILE HD13 . 28117 1 616 . 1 . 1 58 58 ILE C C 13 176.506 0.003 . 1 . . 214 . . 58 ILE C . 28117 1 617 . 1 . 1 58 58 ILE CA C 13 64.333 0.152 . 1 . . 213 . . 58 ILE CA . 28117 1 618 . 1 . 1 58 58 ILE CB C 13 37.452 0.172 . 1 . . 212 . . 58 ILE CB . 28117 1 619 . 1 . 1 58 58 ILE CG1 C 13 27.607 0.188 . 1 . . 761 . . 58 ILE CG1 . 28117 1 620 . 1 . 1 58 58 ILE CG2 C 13 16.880 0.03 . 1 . . 762 . . 58 ILE CG2 . 28117 1 621 . 1 . 1 58 58 ILE CD1 C 13 13.364 0.117 . 1 . . 763 . . 58 ILE CD1 . 28117 1 622 . 1 . 1 58 58 ILE N N 15 125.196 0.019 . 1 . . 20 . . 58 ILE N . 28117 1 623 . 1 . 1 59 59 ASP H H 1 8.299 0.001 . 1 . . 99 . . 59 ASP H . 28117 1 624 . 1 . 1 59 59 ASP HA H 1 4.219 0.011 . 1 . . 769 . . 59 ASP HA . 28117 1 625 . 1 . 1 59 59 ASP HB2 H 1 2.603 0.011 . 1 . . 770 . . 59 ASP HB2 . 28117 1 626 . 1 . 1 59 59 ASP HB3 H 1 2.435 0.007 . 1 . . 771 . . 59 ASP HB3 . 28117 1 627 . 1 . 1 59 59 ASP C C 13 177.745 0.003 . 1 . . 329 . . 59 ASP C . 28117 1 628 . 1 . 1 59 59 ASP CA C 13 57.002 0.174 . 1 . . 330 . . 59 ASP CA . 28117 1 629 . 1 . 1 59 59 ASP CB C 13 39.309 0.027 . 1 . . 328 . . 59 ASP CB . 28117 1 630 . 1 . 1 59 59 ASP N N 15 122.054 0.024 . 1 . . 100 . . 59 ASP N . 28117 1 631 . 1 . 1 60 60 ASP H H 1 7.169 0.001 . 1 . . 39 . . 60 ASP H . 28117 1 632 . 1 . 1 60 60 ASP HA H 1 4.061 0.003 . 1 . . 772 . . 60 ASP HA . 28117 1 633 . 1 . 1 60 60 ASP HB2 H 1 2.740 0.01 . 1 . . 773 . . 60 ASP HB2 . 28117 1 634 . 1 . 1 60 60 ASP HB3 H 1 2.499 0.015 . 1 . . 774 . . 60 ASP HB3 . 28117 1 635 . 1 . 1 60 60 ASP C C 13 176.485 0.01 . 1 . . 240 . . 60 ASP C . 28117 1 636 . 1 . 1 60 60 ASP CA C 13 56.399 0.153 . 1 . . 241 . . 60 ASP CA . 28117 1 637 . 1 . 1 60 60 ASP CB C 13 39.431 0.014 . 1 . . 239 . . 60 ASP CB . 28117 1 638 . 1 . 1 60 60 ASP N N 15 122.204 0.007 . 1 . . 40 . . 60 ASP N . 28117 1 639 . 1 . 1 61 61 ALA H H 1 6.802 0.001 . 1 . . 29 . . 61 ALA H . 28117 1 640 . 1 . 1 61 61 ALA HA H 1 3.157 0.005 . 1 . . 775 . . 61 ALA HA . 28117 1 641 . 1 . 1 61 61 ALA HB1 H 1 1.399 0.009 . 1 . . 776 . . 61 ALA HB1 . 28117 1 642 . 1 . 1 61 61 ALA HB2 H 1 1.399 0.009 . 1 . . 776 . . 61 ALA HB2 . 28117 1 643 . 1 . 1 61 61 ALA HB3 H 1 1.399 0.009 . 1 . . 776 . . 61 ALA HB3 . 28117 1 644 . 1 . 1 61 61 ALA C C 13 178.526 0.012 . 1 . . 226 . . 61 ALA C . 28117 1 645 . 1 . 1 61 61 ALA CA C 13 54.014 0.122 . 1 . . 225 . . 61 ALA CA . 28117 1 646 . 1 . 1 61 61 ALA CB C 13 17.485 0.038 . 1 . . 224 . . 61 ALA CB . 28117 1 647 . 1 . 1 61 61 ALA N N 15 120.813 0.011 . 1 . . 30 . . 61 ALA N . 28117 1 648 . 1 . 1 62 62 LYS H H 1 7.603 0.001 . 1 . . 81 . . 62 LYS H . 28117 1 649 . 1 . 1 62 62 LYS HA H 1 3.716 0.007 . 1 . . 780 . . 62 LYS HA . 28117 1 650 . 1 . 1 62 62 LYS HB2 H 1 1.788 0.007 . 1 . . 784 . . 62 LYS HB2 . 28117 1 651 . 1 . 1 62 62 LYS HB3 H 1 1.788 0.007 . 1 . . 783 . . 62 LYS HB3 . 28117 1 652 . 1 . 1 62 62 LYS HG2 H 1 1.515 . . 1 . . 983 . . 62 LYS HG2 . 28117 1 653 . 1 . 1 62 62 LYS HG3 H 1 1.249 . . 1 . . 982 . . 62 LYS HG3 . 28117 1 654 . 1 . 1 62 62 LYS HD2 H 1 1.546 0.04 . 1 . . 787 . . 62 LYS HD2 . 28117 1 655 . 1 . 1 62 62 LYS HD3 H 1 1.546 0.04 . 1 . . 788 . . 62 LYS HD3 . 28117 1 656 . 1 . 1 62 62 LYS HE2 H 1 2.800 . . 1 . . 782 . . 62 LYS HE2 . 28117 1 657 . 1 . 1 62 62 LYS HE3 H 1 2.800 . . 1 . . 781 . . 62 LYS HE3 . 28117 1 658 . 1 . 1 62 62 LYS C C 13 178.415 0.009 . 1 . . 303 . . 62 LYS C . 28117 1 659 . 1 . 1 62 62 LYS CA C 13 59.383 0.131 . 1 . . 302 . . 62 LYS CA . 28117 1 660 . 1 . 1 62 62 LYS CB C 13 31.084 0.04 . 1 . . 304 . . 62 LYS CB . 28117 1 661 . 1 . 1 62 62 LYS CG C 13 24.744 0.041 . 1 . . 778 . . 62 LYS CG . 28117 1 662 . 1 . 1 62 62 LYS CD C 13 28.547 0.116 . 1 . . 779 . . 62 LYS CD . 28117 1 663 . 1 . 1 62 62 LYS CE C 13 41.502 . . 1 . . 777 . . 62 LYS CE . 28117 1 664 . 1 . 1 62 62 LYS N N 15 118.263 0.017 . 1 . . 82 . . 62 LYS N . 28117 1 665 . 1 . 1 63 63 ASP H H 1 7.590 0.002 . 1 . . 147 . . 63 ASP H . 28117 1 666 . 1 . 1 63 63 ASP HA H 1 4.137 0.006 . 1 . . 791 . . 63 ASP HA . 28117 1 667 . 1 . 1 63 63 ASP HB2 H 1 2.796 0.006 . 1 . . 790 . . 63 ASP HB2 . 28117 1 668 . 1 . 1 63 63 ASP HB3 H 1 2.510 0.008 . 1 . . 789 . . 63 ASP HB3 . 28117 1 669 . 1 . 1 63 63 ASP C C 13 178.389 0.002 . 1 . . 402 . . 63 ASP C . 28117 1 670 . 1 . 1 63 63 ASP CA C 13 56.675 0.059 . 1 . . 401 . . 63 ASP CA . 28117 1 671 . 1 . 1 63 63 ASP CB C 13 39.928 0.062 . 1 . . 400 . . 63 ASP CB . 28117 1 672 . 1 . 1 63 63 ASP N N 15 120.978 0.035 . 1 . . 148 . . 63 ASP N . 28117 1 673 . 1 . 1 64 64 ALA H H 1 8.003 0.001 . 1 . . 109 . . 64 ALA H . 28117 1 674 . 1 . 1 64 64 ALA HA H 1 4.208 0.011 . 1 . . 792 . . 64 ALA HA . 28117 1 675 . 1 . 1 64 64 ALA HB1 H 1 1.044 0.01 . 1 . . 793 . . 64 ALA HB1 . 28117 1 676 . 1 . 1 64 64 ALA HB2 H 1 1.044 0.01 . 1 . . 793 . . 64 ALA HB2 . 28117 1 677 . 1 . 1 64 64 ALA HB3 H 1 1.044 0.01 . 1 . . 793 . . 64 ALA HB3 . 28117 1 678 . 1 . 1 64 64 ALA C C 13 178.359 0.004 . 1 . . 344 . . 64 ALA C . 28117 1 679 . 1 . 1 64 64 ALA CA C 13 53.938 0.131 . 1 . . 345 . . 64 ALA CA . 28117 1 680 . 1 . 1 64 64 ALA CB C 13 19.589 0.066 . 1 . . 343 . . 64 ALA CB . 28117 1 681 . 1 . 1 64 64 ALA N N 15 123.279 0.01 . 1 . . 110 . . 64 ALA N . 28117 1 682 . 1 . 1 65 65 MET H H 1 8.228 0.001 . 1 . . 129 . . 65 MET H . 28117 1 683 . 1 . 1 65 65 MET HA H 1 3.590 0.01 . 1 . . 795 . . 65 MET HA . 28117 1 684 . 1 . 1 65 65 MET HB2 H 1 2.167 0.006 . 1 . . 984 . . 65 MET HB2 . 28117 1 685 . 1 . 1 65 65 MET HB3 H 1 1.862 0.002 . 1 . . 796 . . 65 MET HB3 . 28117 1 686 . 1 . 1 65 65 MET HG2 H 1 2.240 0.016 . 1 . . 799 . . 65 MET HG2 . 28117 1 687 . 1 . 1 65 65 MET HG3 H 1 2.240 0.016 . 1 . . 798 . . 65 MET HG3 . 28117 1 688 . 1 . 1 65 65 MET HE1 H 1 2.055 . . 1 . . 1006 . . 65 MET HE1 . 28117 1 689 . 1 . 1 65 65 MET HE2 H 1 2.055 . . 1 . . 1006 . . 65 MET HE2 . 28117 1 690 . 1 . 1 65 65 MET HE3 H 1 2.055 . . 1 . . 1006 . . 65 MET HE3 . 28117 1 691 . 1 . 1 65 65 MET C C 13 176.915 0.006 . 1 . . 374 . . 65 MET C . 28117 1 692 . 1 . 1 65 65 MET CA C 13 59.073 0.09 . 1 . . 375 . . 65 MET CA . 28117 1 693 . 1 . 1 65 65 MET CB C 13 32.194 0.233 . 1 . . 376 . . 65 MET CB . 28117 1 694 . 1 . 1 65 65 MET CG C 13 30.542 0.007 . 1 . . 794 . . 65 MET CG . 28117 1 695 . 1 . 1 65 65 MET CE C 13 16.795 . . 1 . . 1007 . . 65 MET CE . 28117 1 696 . 1 . 1 65 65 MET N N 15 118.531 0.027 . 1 . . 130 . . 65 MET N . 28117 1 697 . 1 . 1 66 66 MET H H 1 7.652 0.001 . 1 . . 131 . . 66 MET H . 28117 1 698 . 1 . 1 66 66 MET HA H 1 4.076 0.011 . 1 . . 801 . . 66 MET HA . 28117 1 699 . 1 . 1 66 66 MET HB2 H 1 1.997 0.011 . 1 . . 990 . . 66 MET HB2 . 28117 1 700 . 1 . 1 66 66 MET HB3 H 1 1.997 0.011 . 1 . . 991 . . 66 MET HB3 . 28117 1 701 . 1 . 1 66 66 MET HG2 H 1 2.596 0.025 . 1 . . 988 . . 66 MET HG2 . 28117 1 702 . 1 . 1 66 66 MET HG3 H 1 2.560 0.011 . 1 . . 987 . . 66 MET HG3 . 28117 1 703 . 1 . 1 66 66 MET C C 13 177.993 0.008 . 1 . . 378 . . 66 MET C . 28117 1 704 . 1 . 1 66 66 MET CA C 13 56.880 0.065 . 1 . . 377 . . 66 MET CA . 28117 1 705 . 1 . 1 66 66 MET CB C 13 31.297 . . 1 . . 989 . . 66 MET CB . 28117 1 706 . 1 . 1 66 66 MET CG C 13 31.417 0.002 . 1 . . 986 . . 66 MET CG . 28117 1 707 . 1 . 1 66 66 MET N N 15 116.534 0.012 . 1 . . 132 . . 66 MET N . 28117 1 708 . 1 . 1 67 67 ALA H H 1 7.596 0.001 . 1 . . 41 . . 67 ALA H . 28117 1 709 . 1 . 1 67 67 ALA HA H 1 4.029 0.007 . 1 . . 807 . . 67 ALA HA . 28117 1 710 . 1 . 1 67 67 ALA HB1 H 1 1.111 0.006 . 1 . . 806 . . 67 ALA HB1 . 28117 1 711 . 1 . 1 67 67 ALA HB2 H 1 1.111 0.006 . 1 . . 806 . . 67 ALA HB2 . 28117 1 712 . 1 . 1 67 67 ALA HB3 H 1 1.111 0.006 . 1 . . 806 . . 67 ALA HB3 . 28117 1 713 . 1 . 1 67 67 ALA C C 13 179.183 0.012 . 1 . . 244 . . 67 ALA C . 28117 1 714 . 1 . 1 67 67 ALA CA C 13 53.702 0.055 . 1 . . 242 . . 67 ALA CA . 28117 1 715 . 1 . 1 67 67 ALA CB C 13 19.671 0.087 . 1 . . 243 . . 67 ALA CB . 28117 1 716 . 1 . 1 67 67 ALA N N 15 120.334 0.012 . 1 . . 42 . . 67 ALA N . 28117 1 717 . 1 . 1 68 68 MET H H 1 7.896 0.001 . 1 . . 121 . . 68 MET H . 28117 1 718 . 1 . 1 68 68 MET HA H 1 4.635 0.008 . 1 . . 812 . . 68 MET HA . 28117 1 719 . 1 . 1 68 68 MET HB2 H 1 1.586 0.001 . 1 . . 809 . . 68 MET HB2 . 28117 1 720 . 1 . 1 68 68 MET HB3 H 1 1.586 0.001 . 1 . . 808 . . 68 MET HB3 . 28117 1 721 . 1 . 1 68 68 MET HG2 H 1 1.878 0.016 . 1 . . 811 . . 68 MET HG2 . 28117 1 722 . 1 . 1 68 68 MET HG3 H 1 1.878 0.016 . 1 . . 810 . . 68 MET HG3 . 28117 1 723 . 1 . 1 68 68 MET HE1 H 1 1.356 . . 1 . . 1005 . . 68 MET HE1 . 28117 1 724 . 1 . 1 68 68 MET HE2 H 1 1.356 . . 1 . . 1005 . . 68 MET HE2 . 28117 1 725 . 1 . 1 68 68 MET HE3 H 1 1.356 . . 1 . . 1005 . . 68 MET HE3 . 28117 1 726 . 1 . 1 68 68 MET C C 13 177.360 0.013 . 1 . . 360 . . 68 MET C . 28117 1 727 . 1 . 1 68 68 MET CA C 13 52.634 0.051 . 1 . . 362 . . 68 MET CA . 28117 1 728 . 1 . 1 68 68 MET CB C 13 30.984 0.098 . 1 . . 361 . . 68 MET CB . 28117 1 729 . 1 . 1 68 68 MET CG C 13 31.008 0.052 . 1 . . 992 . . 68 MET CG . 28117 1 730 . 1 . 1 68 68 MET CE C 13 14.375 . . 1 . . 1004 . . 68 MET CE . 28117 1 731 . 1 . 1 68 68 MET N N 15 111.928 0.005 . 1 . . 122 . . 68 MET N . 28117 1 732 . 1 . 1 69 69 ASN H H 1 7.545 0.001 . 1 . . 143 . . 69 ASN H . 28117 1 733 . 1 . 1 69 69 ASN HA H 1 4.217 0.009 . 1 . . 813 . . 69 ASN HA . 28117 1 734 . 1 . 1 69 69 ASN HB2 H 1 3.006 0.01 . 1 . . 814 . . 69 ASN HB2 . 28117 1 735 . 1 . 1 69 69 ASN HB3 H 1 2.799 0.004 . 1 . . 815 . . 69 ASN HB3 . 28117 1 736 . 1 . 1 69 69 ASN C C 13 176.024 0.001 . 1 . . 396 . . 69 ASN C . 28117 1 737 . 1 . 1 69 69 ASN CA C 13 56.150 0.114 . 1 . . 394 . . 69 ASN CA . 28117 1 738 . 1 . 1 69 69 ASN CB C 13 37.883 0.039 . 1 . . 395 . . 69 ASN CB . 28117 1 739 . 1 . 1 69 69 ASN N N 15 117.955 0.01 . 1 . . 144 . . 69 ASN N . 28117 1 740 . 1 . 1 70 70 GLY H H 1 8.517 0.001 . 1 . . 183 . . 70 GLY H . 28117 1 741 . 1 . 1 70 70 GLY HA2 H 1 4.129 0.01 . 1 . . 817 . . 70 GLY HA2 . 28117 1 742 . 1 . 1 70 70 GLY HA3 H 1 3.628 0.019 . 1 . . 816 . . 70 GLY HA3 . 28117 1 743 . 1 . 1 70 70 GLY C C 13 173.771 0.02 . 1 . . 451 . . 70 GLY C . 28117 1 744 . 1 . 1 70 70 GLY CA C 13 45.441 0.158 . 1 . . 450 . . 70 GLY CA . 28117 1 745 . 1 . 1 70 70 GLY N N 15 117.262 0.016 . 1 . . 184 . . 70 GLY N . 28117 1 746 . 1 . 1 71 71 LYS H H 1 7.699 0.002 . 1 . . 49 . . 71 LYS H . 28117 1 747 . 1 . 1 71 71 LYS HA H 1 4.296 0.01 . 1 . . 821 . . 71 LYS HA . 28117 1 748 . 1 . 1 71 71 LYS HB2 H 1 1.774 0.036 . 1 . . 829 . . 71 LYS HB2 . 28117 1 749 . 1 . 1 71 71 LYS HB3 H 1 1.748 0.007 . 1 . . 828 . . 71 LYS HB3 . 28117 1 750 . 1 . 1 71 71 LYS HG2 H 1 1.632 . . 1 . . 994 . . 71 LYS HG2 . 28117 1 751 . 1 . 1 71 71 LYS HG3 H 1 1.166 0.006 . 1 . . 993 . . 71 LYS HG3 . 28117 1 752 . 1 . 1 71 71 LYS HD2 H 1 1.566 0.007 . 1 . . 826 . . 71 LYS HD2 . 28117 1 753 . 1 . 1 71 71 LYS HD3 H 1 1.566 0.007 . 1 . . 827 . . 71 LYS HD3 . 28117 1 754 . 1 . 1 71 71 LYS HE2 H 1 2.958 0.034 . 1 . . 823 . . 71 LYS HE2 . 28117 1 755 . 1 . 1 71 71 LYS HE3 H 1 2.958 0.034 . 1 . . 822 . . 71 LYS HE3 . 28117 1 756 . 1 . 1 71 71 LYS C C 13 174.383 0.046 . 1 . . 255 . . 71 LYS C . 28117 1 757 . 1 . 1 71 71 LYS CA C 13 54.036 0.138 . 1 . . 254 . . 71 LYS CA . 28117 1 758 . 1 . 1 71 71 LYS CB C 13 31.796 0.039 . 1 . . 256 . . 71 LYS CB . 28117 1 759 . 1 . 1 71 71 LYS CG C 13 24.960 0.032 . 1 . . 819 . . 71 LYS CG . 28117 1 760 . 1 . 1 71 71 LYS CD C 13 27.495 0.208 . 1 . . 820 . . 71 LYS CD . 28117 1 761 . 1 . 1 71 71 LYS CE C 13 42.056 0.017 . 1 . . 818 . . 71 LYS CE . 28117 1 762 . 1 . 1 71 71 LYS N N 15 121.715 0.029 . 1 . . 50 . . 71 LYS N . 28117 1 763 . 1 . 1 72 72 SER H H 1 8.024 0.002 . 1 . . 155 . . 72 SER H . 28117 1 764 . 1 . 1 72 72 SER HA H 1 5.063 0.017 . 1 . . 831 . . 72 SER HA . 28117 1 765 . 1 . 1 72 72 SER HB2 H 1 3.411 0.01 . 1 . . 833 . . 72 SER HB2 . 28117 1 766 . 1 . 1 72 72 SER HB3 H 1 3.396 0.006 . 1 . . 832 . . 72 SER HB3 . 28117 1 767 . 1 . 1 72 72 SER C C 13 174.400 0.001 . 1 . . 411 . . 72 SER C . 28117 1 768 . 1 . 1 72 72 SER CA C 13 57.020 0.072 . 1 . . 409 . . 72 SER CA . 28117 1 769 . 1 . 1 72 72 SER CB C 13 63.778 0.209 . 1 . . 410 . . 72 SER CB . 28117 1 770 . 1 . 1 72 72 SER N N 15 114.134 0.027 . 1 . . 156 . . 72 SER N . 28117 1 771 . 1 . 1 73 73 VAL H H 1 8.856 0.001 . 1 . . 171 . . 73 VAL H . 28117 1 772 . 1 . 1 73 73 VAL HA H 1 3.941 0.005 . 1 . . 836 . . 73 VAL HA . 28117 1 773 . 1 . 1 73 73 VAL HB H 1 1.723 0.012 . 1 . . 837 . . 73 VAL HB . 28117 1 774 . 1 . 1 73 73 VAL HG11 H 1 0.647 0.004 . 1 . . 839 . . 73 VAL HG11 . 28117 1 775 . 1 . 1 73 73 VAL HG12 H 1 0.647 0.004 . 1 . . 839 . . 73 VAL HG12 . 28117 1 776 . 1 . 1 73 73 VAL HG13 H 1 0.647 0.004 . 1 . . 839 . . 73 VAL HG13 . 28117 1 777 . 1 . 1 73 73 VAL HG21 H 1 0.647 0.004 . 1 . . 838 . . 73 VAL HG21 . 28117 1 778 . 1 . 1 73 73 VAL HG22 H 1 0.647 0.004 . 1 . . 838 . . 73 VAL HG22 . 28117 1 779 . 1 . 1 73 73 VAL HG23 H 1 0.647 0.004 . 1 . . 838 . . 73 VAL HG23 . 28117 1 780 . 1 . 1 73 73 VAL C C 13 175.799 0.009 . 1 . . 434 . . 73 VAL C . 28117 1 781 . 1 . 1 73 73 VAL CA C 13 61.369 0.101 . 1 . . 433 . . 73 VAL CA . 28117 1 782 . 1 . 1 73 73 VAL CB C 13 34.015 0.063 . 1 . . 435 . . 73 VAL CB . 28117 1 783 . 1 . 1 73 73 VAL CG1 C 13 21.359 0.116 . 1 . . 834 . . 73 VAL CG1 . 28117 1 784 . 1 . 1 73 73 VAL CG2 C 13 20.253 0.019 . 1 . . 835 . . 73 VAL CG2 . 28117 1 785 . 1 . 1 73 73 VAL N N 15 126.470 0.012 . 1 . . 172 . . 73 VAL N . 28117 1 786 . 1 . 1 74 74 ASP H H 1 9.418 0.002 . 1 . . 11 . . 74 ASP H . 28117 1 787 . 1 . 1 74 74 ASP HA H 1 4.123 0.007 . 1 . . 840 . . 74 ASP HA . 28117 1 788 . 1 . 1 74 74 ASP HB2 H 1 2.791 0.003 . 1 . . 841 . . 74 ASP HB2 . 28117 1 789 . 1 . 1 74 74 ASP HB3 H 1 2.337 0.004 . 1 . . 842 . . 74 ASP HB3 . 28117 1 790 . 1 . 1 74 74 ASP C C 13 174.781 0.008 . 1 . . 202 . . 74 ASP C . 28117 1 791 . 1 . 1 74 74 ASP CA C 13 55.070 0.082 . 1 . . 203 . . 74 ASP CA . 28117 1 792 . 1 . 1 74 74 ASP CB C 13 39.080 0.16 . 1 . . 201 . . 74 ASP CB . 28117 1 793 . 1 . 1 74 74 ASP N N 15 129.889 0.019 . 1 . . 12 . . 74 ASP N . 28117 1 794 . 1 . 1 75 75 GLY H H 1 8.299 0.001 . 1 . . 117 . . 75 GLY H . 28117 1 795 . 1 . 1 75 75 GLY HA2 H 1 3.958 0.002 . 1 . . 844 . . 75 GLY HA2 . 28117 1 796 . 1 . 1 75 75 GLY HA3 H 1 3.402 0.007 . 1 . . 843 . . 75 GLY HA3 . 28117 1 797 . 1 . 1 75 75 GLY C C 13 173.509 0.003 . 1 . . 356 . . 75 GLY C . 28117 1 798 . 1 . 1 75 75 GLY CA C 13 44.810 0.111 . 1 . . 355 . . 75 GLY CA . 28117 1 799 . 1 . 1 75 75 GLY N N 15 102.024 0.014 . 1 . . 118 . . 75 GLY N . 28117 1 800 . 1 . 1 76 76 ARG H H 1 7.446 0.001 . 1 . . 77 . . 76 ARG H . 28117 1 801 . 1 . 1 76 76 ARG HA H 1 4.481 0.007 . 1 . . 850 . . 76 ARG HA . 28117 1 802 . 1 . 1 76 76 ARG HB2 H 1 1.817 0.003 . 1 . . 851 . . 76 ARG HB2 . 28117 1 803 . 1 . 1 76 76 ARG HB3 H 1 1.544 0.013 . 1 . . 854 . . 76 ARG HB3 . 28117 1 804 . 1 . 1 76 76 ARG HG2 H 1 1.387 0.0 . 1 . . 995 . . 76 ARG HG2 . 28117 1 805 . 1 . 1 76 76 ARG HG3 H 1 1.386 0.001 . 1 . . 853 . . 76 ARG HG3 . 28117 1 806 . 1 . 1 76 76 ARG HD2 H 1 3.012 0.005 . 1 . . 849 . . 76 ARG HD2 . 28117 1 807 . 1 . 1 76 76 ARG HD3 H 1 3.010 0.006 . 1 . . 848 . . 76 ARG HD3 . 28117 1 808 . 1 . 1 76 76 ARG C C 13 173.761 0.004 . 1 . . 297 . . 76 ARG C . 28117 1 809 . 1 . 1 76 76 ARG CA C 13 52.358 0.111 . 1 . . 298 . . 76 ARG CA . 28117 1 810 . 1 . 1 76 76 ARG CB C 13 31.828 0.078 . 1 . . 296 . . 76 ARG CB . 28117 1 811 . 1 . 1 76 76 ARG CG C 13 26.003 0.096 . 1 . . 846 . . 76 ARG CG . 28117 1 812 . 1 . 1 76 76 ARG CD C 13 41.768 0.154 . 1 . . 847 . . 76 ARG CD . 28117 1 813 . 1 . 1 76 76 ARG N N 15 120.764 0.005 . 1 . . 78 . . 76 ARG N . 28117 1 814 . 1 . 1 77 77 GLN H H 1 8.339 0.001 . 1 . . 25 . . 77 GLN H . 28117 1 815 . 1 . 1 77 77 GLN HA H 1 4.267 0.011 . 1 . . 856 . . 77 GLN HA . 28117 1 816 . 1 . 1 77 77 GLN HB2 H 1 1.743 0.017 . 1 . . 859 . . 77 GLN HB2 . 28117 1 817 . 1 . 1 77 77 GLN HB3 H 1 1.717 0.022 . 1 . . 860 . . 77 GLN HB3 . 28117 1 818 . 1 . 1 77 77 GLN HG2 H 1 2.016 0.022 . 1 . . 858 . . 77 GLN HG2 . 28117 1 819 . 1 . 1 77 77 GLN HG3 H 1 1.993 0.012 . 1 . . 857 . . 77 GLN HG3 . 28117 1 820 . 1 . 1 77 77 GLN C C 13 175.622 0.016 . 1 . . 219 . . 77 GLN C . 28117 1 821 . 1 . 1 77 77 GLN CA C 13 55.371 0.092 . 1 . . 476 . . 77 GLN CA . 28117 1 822 . 1 . 1 77 77 GLN CB C 13 28.359 0.078 . 1 . . 475 . . 77 GLN CB . 28117 1 823 . 1 . 1 77 77 GLN CG C 13 33.750 0.066 . 1 . . 855 . . 77 GLN CG . 28117 1 824 . 1 . 1 77 77 GLN N N 15 122.403 0.064 . 1 . . 26 . . 77 GLN N . 28117 1 825 . 1 . 1 78 78 ILE H H 1 8.332 0.024 . 1 . . 470 . . 78 ILE H . 28117 1 826 . 1 . 1 78 78 ILE HA H 1 4.687 0.01 . 1 . . 864 . . 78 ILE HA . 28117 1 827 . 1 . 1 78 78 ILE HB H 1 1.823 0.007 . 1 . . 865 . . 78 ILE HB . 28117 1 828 . 1 . 1 78 78 ILE HG12 H 1 1.282 0.013 . 1 . . 998 . . 78 ILE HG12 . 28117 1 829 . 1 . 1 78 78 ILE HG13 H 1 1.282 0.013 . 1 . . 997 . . 78 ILE HG13 . 28117 1 830 . 1 . 1 78 78 ILE HG21 H 1 0.674 0.011 . 1 . . 996 . . 78 ILE HG21 . 28117 1 831 . 1 . 1 78 78 ILE HG22 H 1 0.674 0.011 . 1 . . 996 . . 78 ILE HG22 . 28117 1 832 . 1 . 1 78 78 ILE HG23 H 1 0.674 0.011 . 1 . . 996 . . 78 ILE HG23 . 28117 1 833 . 1 . 1 78 78 ILE HD11 H 1 0.569 0.014 . 1 . . 868 . . 78 ILE HD11 . 28117 1 834 . 1 . 1 78 78 ILE HD12 H 1 0.569 0.014 . 1 . . 868 . . 78 ILE HD12 . 28117 1 835 . 1 . 1 78 78 ILE HD13 H 1 0.569 0.014 . 1 . . 868 . . 78 ILE HD13 . 28117 1 836 . 1 . 1 78 78 ILE C C 13 174.937 0.013 . 1 . . 474 . . 78 ILE C . 28117 1 837 . 1 . 1 78 78 ILE CA C 13 60.213 0.027 . 1 . . 473 . . 78 ILE CA . 28117 1 838 . 1 . 1 78 78 ILE CB C 13 39.587 0.059 . 1 . . 472 . . 78 ILE CB . 28117 1 839 . 1 . 1 78 78 ILE CG1 C 13 24.380 0.199 . 1 . . 861 . . 78 ILE CG1 . 28117 1 840 . 1 . 1 78 78 ILE CG2 C 13 18.008 0.026 . 1 . . 862 . . 78 ILE CG2 . 28117 1 841 . 1 . 1 78 78 ILE CD1 C 13 14.258 0.03 . 1 . . 863 . . 78 ILE CD1 . 28117 1 842 . 1 . 1 78 78 ILE N N 15 123.004 0.228 . 1 . . 471 . . 78 ILE N . 28117 1 843 . 1 . 1 79 79 ARG H H 1 8.276 0.002 . 1 . . 1 . . 79 ARG H . 28117 1 844 . 1 . 1 79 79 ARG HA H 1 4.859 0.008 . 1 . . 871 . . 79 ARG HA . 28117 1 845 . 1 . 1 79 79 ARG HB2 H 1 1.565 0.011 . 1 . . 874 . . 79 ARG HB2 . 28117 1 846 . 1 . 1 79 79 ARG HB3 H 1 1.565 0.011 . 1 . . 875 . . 79 ARG HB3 . 28117 1 847 . 1 . 1 79 79 ARG HG2 H 1 1.555 0.001 . 1 . . 999 . . 79 ARG HG2 . 28117 1 848 . 1 . 1 79 79 ARG HG3 H 1 1.422 0.002 . 1 . . 876 . . 79 ARG HG3 . 28117 1 849 . 1 . 1 79 79 ARG HD2 H 1 3.109 0.007 . 1 . . 872 . . 79 ARG HD2 . 28117 1 850 . 1 . 1 79 79 ARG HD3 H 1 3.109 0.007 . 1 . . 873 . . 79 ARG HD3 . 28117 1 851 . 1 . 1 79 79 ARG C C 13 174.172 0.012 . 1 . . 189 . . 79 ARG C . 28117 1 852 . 1 . 1 79 79 ARG CA C 13 53.148 0.048 . 1 . . 188 . . 79 ARG CA . 28117 1 853 . 1 . 1 79 79 ARG CB C 13 32.111 0.057 . 1 . . 187 . . 79 ARG CB . 28117 1 854 . 1 . 1 79 79 ARG CG C 13 26.686 0.085 . 1 . . 870 . . 79 ARG CG . 28117 1 855 . 1 . 1 79 79 ARG CD C 13 42.758 0.025 . 1 . . 869 . . 79 ARG CD . 28117 1 856 . 1 . 1 79 79 ARG N N 15 123.595 0.019 . 1 . . 2 . . 79 ARG N . 28117 1 857 . 1 . 1 80 80 VAL H H 1 8.586 0.002 . 1 . . 135 . . 80 VAL H . 28117 1 858 . 1 . 1 80 80 VAL HA H 1 5.251 0.011 . 1 . . 880 . . 80 VAL HA . 28117 1 859 . 1 . 1 80 80 VAL HB H 1 1.779 0.011 . 1 . . 881 . . 80 VAL HB . 28117 1 860 . 1 . 1 80 80 VAL HG11 H 1 0.927 0.015 . 1 . . 883 . . 80 VAL HG11 . 28117 1 861 . 1 . 1 80 80 VAL HG12 H 1 0.927 0.015 . 1 . . 883 . . 80 VAL HG12 . 28117 1 862 . 1 . 1 80 80 VAL HG13 H 1 0.927 0.015 . 1 . . 883 . . 80 VAL HG13 . 28117 1 863 . 1 . 1 80 80 VAL HG21 H 1 0.919 0.005 . 1 . . 882 . . 80 VAL HG21 . 28117 1 864 . 1 . 1 80 80 VAL HG22 H 1 0.919 0.005 . 1 . . 882 . . 80 VAL HG22 . 28117 1 865 . 1 . 1 80 80 VAL HG23 H 1 0.919 0.005 . 1 . . 882 . . 80 VAL HG23 . 28117 1 866 . 1 . 1 80 80 VAL C C 13 173.184 0.008 . 1 . . 384 . . 80 VAL C . 28117 1 867 . 1 . 1 80 80 VAL CA C 13 59.773 0.086 . 1 . . 383 . . 80 VAL CA . 28117 1 868 . 1 . 1 80 80 VAL CB C 13 33.990 0.051 . 1 . . 385 . . 80 VAL CB . 28117 1 869 . 1 . 1 80 80 VAL CG1 C 13 24.112 0.021 . 1 . . 878 . . 80 VAL CG1 . 28117 1 870 . 1 . 1 80 80 VAL CG2 C 13 21.983 0.052 . 1 . . 879 . . 80 VAL CG2 . 28117 1 871 . 1 . 1 80 80 VAL N N 15 124.501 0.013 . 1 . . 136 . . 80 VAL N . 28117 1 872 . 1 . 1 81 81 ASP H H 1 9.012 0.001 . 1 . . 7 . . 81 ASP H . 28117 1 873 . 1 . 1 81 81 ASP HA H 1 5.072 0.01 . 1 . . 884 . . 81 ASP HA . 28117 1 874 . 1 . 1 81 81 ASP HB2 H 1 2.600 0.009 . 1 . . 885 . . 81 ASP HB2 . 28117 1 875 . 1 . 1 81 81 ASP HB3 H 1 2.384 0.007 . 1 . . 886 . . 81 ASP HB3 . 28117 1 876 . 1 . 1 81 81 ASP C C 13 174.917 0.012 . 1 . . 197 . . 81 ASP C . 28117 1 877 . 1 . 1 81 81 ASP CA C 13 51.623 0.047 . 1 . . 196 . . 81 ASP CA . 28117 1 878 . 1 . 1 81 81 ASP CB C 13 44.918 0.114 . 1 . . 195 . . 81 ASP CB . 28117 1 879 . 1 . 1 81 81 ASP N N 15 125.786 0.013 . 1 . . 8 . . 81 ASP N . 28117 1 880 . 1 . 1 82 82 GLN H H 1 9.023 0.001 . 1 . . 73 . . 82 GLN H . 28117 1 881 . 1 . 1 82 82 GLN HA H 1 4.281 0.013 . 1 . . 888 . . 82 GLN HA . 28117 1 882 . 1 . 1 82 82 GLN HB2 H 1 2.095 0.007 . 1 . . 891 . . 82 GLN HB2 . 28117 1 883 . 1 . 1 82 82 GLN HB3 H 1 1.845 0.005 . 1 . . 892 . . 82 GLN HB3 . 28117 1 884 . 1 . 1 82 82 GLN HG2 H 1 2.332 0.015 . 1 . . 889 . . 82 GLN HG2 . 28117 1 885 . 1 . 1 82 82 GLN HG3 H 1 2.319 0.003 . 1 . . 890 . . 82 GLN HG3 . 28117 1 886 . 1 . 1 82 82 GLN C C 13 176.327 0.005 . 1 . . 291 . . 82 GLN C . 28117 1 887 . 1 . 1 82 82 GLN CA C 13 56.791 0.041 . 1 . . 290 . . 82 GLN CA . 28117 1 888 . 1 . 1 82 82 GLN CB C 13 28.988 0.108 . 1 . . 292 . . 82 GLN CB . 28117 1 889 . 1 . 1 82 82 GLN CG C 13 34.330 0.054 . 1 . . 887 . . 82 GLN CG . 28117 1 890 . 1 . 1 82 82 GLN N N 15 122.395 0.01 . 1 . . 74 . . 82 GLN N . 28117 1 891 . 1 . 1 83 83 ALA H H 1 8.601 0.001 . 1 . . 179 . . 83 ALA H . 28117 1 892 . 1 . 1 83 83 ALA HA H 1 4.220 0.005 . 1 . . 893 . . 83 ALA HA . 28117 1 893 . 1 . 1 83 83 ALA HB1 H 1 1.336 0.011 . 1 . . 894 . . 83 ALA HB1 . 28117 1 894 . 1 . 1 83 83 ALA HB2 H 1 1.336 0.011 . 1 . . 894 . . 83 ALA HB2 . 28117 1 895 . 1 . 1 83 83 ALA HB3 H 1 1.336 0.011 . 1 . . 894 . . 83 ALA HB3 . 28117 1 896 . 1 . 1 83 83 ALA C C 13 177.669 0.005 . 1 . . 445 . . 83 ALA C . 28117 1 897 . 1 . 1 83 83 ALA CA C 13 53.172 0.036 . 1 . . 446 . . 83 ALA CA . 28117 1 898 . 1 . 1 83 83 ALA CB C 13 18.562 0.039 . 1 . . 444 . . 83 ALA CB . 28117 1 899 . 1 . 1 83 83 ALA N N 15 127.880 0.011 . 1 . . 180 . . 83 ALA N . 28117 1 900 . 1 . 1 84 84 GLY H H 1 8.616 0.001 . 1 . . 97 . . 84 GLY H . 28117 1 901 . 1 . 1 84 84 GLY HA2 H 1 3.790 0.001 . 1 . . 896 . . 84 GLY HA2 . 28117 1 902 . 1 . 1 84 84 GLY HA3 H 1 3.790 0.001 . 1 . . 895 . . 84 GLY HA3 . 28117 1 903 . 1 . 1 84 84 GLY C C 13 173.626 0.003 . 1 . . 327 . . 84 GLY C . 28117 1 904 . 1 . 1 84 84 GLY CA C 13 44.720 0.123 . 1 . . 326 . . 84 GLY CA . 28117 1 905 . 1 . 1 84 84 GLY N N 15 107.676 0.02 . 1 . . 98 . . 84 GLY N . 28117 1 906 . 1 . 1 85 85 LYS H H 1 7.896 0.001 . 1 . . 13 . . 85 LYS H . 28117 1 907 . 1 . 1 85 85 LYS HA H 1 4.204 0.011 . 1 . . 899 . . 85 LYS HA . 28117 1 908 . 1 . 1 85 85 LYS HB2 H 1 1.712 0.019 . 1 . . 905 . . 85 LYS HB2 . 28117 1 909 . 1 . 1 85 85 LYS HB3 H 1 1.665 0.049 . 1 . . 904 . . 85 LYS HB3 . 28117 1 910 . 1 . 1 85 85 LYS HG2 H 1 1.246 0.002 . 1 . . 902 . . 85 LYS HG2 . 28117 1 911 . 1 . 1 85 85 LYS HG3 H 1 1.246 0.002 . 1 . . 903 . . 85 LYS HG3 . 28117 1 912 . 1 . 1 85 85 LYS HE2 H 1 2.814 . . 1 . . 900 . . 85 LYS HE2 . 28117 1 913 . 1 . 1 85 85 LYS HE3 H 1 2.814 . . 1 . . 901 . . 85 LYS HE3 . 28117 1 914 . 1 . 1 85 85 LYS C C 13 176.292 0.025 . 1 . . 205 . . 85 LYS C . 28117 1 915 . 1 . 1 85 85 LYS CA C 13 55.539 0.147 . 1 . . 204 . . 85 LYS CA . 28117 1 916 . 1 . 1 85 85 LYS CB C 13 32.405 0.061 . 1 . . 206 . . 85 LYS CB . 28117 1 917 . 1 . 1 85 85 LYS CG C 13 24.007 0.04 . 1 . . 898 . . 85 LYS CG . 28117 1 918 . 1 . 1 85 85 LYS CD C 13 28.231 . . 1 . . 897 . . 85 LYS CD . 28117 1 919 . 1 . 1 85 85 LYS N N 15 120.968 0.016 . 1 . . 14 . . 85 LYS N . 28117 1 920 . 1 . 1 86 86 SER H H 1 8.118 0.005 . 1 . . 151 . . 86 SER H . 28117 1 921 . 1 . 1 86 86 SER HA H 1 4.199 0.005 . 1 . . 908 . . 86 SER HA . 28117 1 922 . 1 . 1 86 86 SER HB2 H 1 3.632 0.004 . 1 . . 907 . . 86 SER HB2 . 28117 1 923 . 1 . 1 86 86 SER HB3 H 1 3.632 0.004 . 1 . . 906 . . 86 SER HB3 . 28117 1 924 . 1 . 1 86 86 SER C C 13 174.337 0.018 . 1 . . 406 . . 86 SER C . 28117 1 925 . 1 . 1 86 86 SER CA C 13 57.838 0.127 . 1 . . 407 . . 86 SER CA . 28117 1 926 . 1 . 1 86 86 SER CB C 13 63.060 0.152 . 1 . . 408 . . 86 SER CB . 28117 1 927 . 1 . 1 86 86 SER N N 15 117.228 0.038 . 1 . . 152 . . 86 SER N . 28117 1 928 . 1 . 1 87 87 SER H H 1 8.221 0.002 . 1 . . 153 . . 87 SER H . 28117 1 929 . 1 . 1 87 87 SER HA H 1 4.200 0.0 . 1 . . 909 . . 87 SER HA . 28117 1 930 . 1 . 1 87 87 SER HB2 H 1 3.672 0.015 . 1 . . 910 . . 87 SER HB2 . 28117 1 931 . 1 . 1 87 87 SER HB3 H 1 3.671 0.017 . 1 . . 911 . . 87 SER HB3 . 28117 1 932 . 1 . 1 87 87 SER C C 13 173.667 . . 1 . . 469 . . 87 SER C . 28117 1 933 . 1 . 1 87 87 SER CA C 13 58.052 0.086 . 1 . . 372 . . 87 SER CA . 28117 1 934 . 1 . 1 87 87 SER CB C 13 62.993 0.079 . 1 . . 373 . . 87 SER CB . 28117 1 935 . 1 . 1 87 87 SER N N 15 118.821 0.035 . 1 . . 154 . . 87 SER N . 28117 1 936 . 1 . 1 88 88 ASP H H 1 8.075 0.002 . 1 . . 125 . . 88 ASP H . 28117 1 937 . 1 . 1 88 88 ASP HA H 1 4.392 0.004 . 1 . . 912 . . 88 ASP HA . 28117 1 938 . 1 . 1 88 88 ASP HB2 H 1 2.480 0.012 . 1 . . 913 . . 88 ASP HB2 . 28117 1 939 . 1 . 1 88 88 ASP HB3 H 1 2.446 0.036 . 1 . . 914 . . 88 ASP HB3 . 28117 1 940 . 1 . 1 88 88 ASP C C 13 175.551 0.014 . 1 . . 367 . . 88 ASP C . 28117 1 941 . 1 . 1 88 88 ASP CA C 13 53.874 0.219 . 1 . . 366 . . 88 ASP CA . 28117 1 942 . 1 . 1 88 88 ASP CB C 13 40.764 0.136 . 1 . . 368 . . 88 ASP CB . 28117 1 943 . 1 . 1 88 88 ASP N N 15 122.825 0.175 . 1 . . 126 . . 88 ASP N . 28117 1 944 . 1 . 1 89 89 ASN H H 1 8.216 0.003 . 1 . . 175 . . 89 ASN H . 28117 1 945 . 1 . 1 89 89 ASN HA H 1 4.419 0.002 . 1 . . 916 . . 89 ASN HA . 28117 1 946 . 1 . 1 89 89 ASN HB2 H 1 2.612 0.012 . 1 . . 917 . . 89 ASN HB2 . 28117 1 947 . 1 . 1 89 89 ASN HB3 H 1 2.601 0.003 . 1 . . 918 . . 89 ASN HB3 . 28117 1 948 . 1 . 1 89 89 ASN C C 13 175.032 0.004 . 1 . . 439 . . 89 ASN C . 28117 1 949 . 1 . 1 89 89 ASN CA C 13 52.974 0.068 . 1 . . 440 . . 89 ASN CA . 28117 1 950 . 1 . 1 89 89 ASN CB C 13 37.754 0.05 . 1 . . 438 . . 89 ASN CB . 28117 1 951 . 1 . 1 89 89 ASN N N 15 120.608 0.019 . 1 . . 176 . . 89 ASN N . 28117 1 952 . 1 . 1 90 90 ARG H H 1 8.109 0.001 . 1 . . 23 . . 90 ARG H . 28117 1 953 . 1 . 1 90 90 ARG HA H 1 4.119 0.002 . 1 . . 921 . . 90 ARG HA . 28117 1 954 . 1 . 1 90 90 ARG HB2 H 1 1.594 0.009 . 1 . . 922 . . 90 ARG HB2 . 28117 1 955 . 1 . 1 90 90 ARG HB3 H 1 1.579 0.012 . 1 . . 923 . . 90 ARG HB3 . 28117 1 956 . 1 . 1 90 90 ARG HG2 H 1 1.438 0.008 . 1 . . 925 . . 90 ARG HG2 . 28117 1 957 . 1 . 1 90 90 ARG HG3 H 1 1.438 0.008 . 1 . . 924 . . 90 ARG HG3 . 28117 1 958 . 1 . 1 90 90 ARG HD2 H 1 2.956 0.003 . 1 . . 927 . . 90 ARG HD2 . 28117 1 959 . 1 . 1 90 90 ARG HD3 H 1 2.956 0.003 . 1 . . 926 . . 90 ARG HD3 . 28117 1 960 . 1 . 1 90 90 ARG C C 13 176.093 0.004 . 1 . . 216 . . 90 ARG C . 28117 1 961 . 1 . 1 90 90 ARG CA C 13 55.834 0.159 . 1 . . 215 . . 90 ARG CA . 28117 1 962 . 1 . 1 90 90 ARG CB C 13 29.675 0.057 . 1 . . 217 . . 90 ARG CB . 28117 1 963 . 1 . 1 90 90 ARG CG C 13 26.443 0.078 . 1 . . 919 . . 90 ARG CG . 28117 1 964 . 1 . 1 90 90 ARG CD C 13 42.581 . . 1 . . 920 . . 90 ARG CD . 28117 1 965 . 1 . 1 90 90 ARG N N 15 121.432 0.009 . 1 . . 24 . . 90 ARG N . 28117 1 966 . 1 . 1 91 91 SER H H 1 8.099 0.001 . 1 . . 17 . . 91 SER H . 28117 1 967 . 1 . 1 91 91 SER HA H 1 4.196 0.003 . 1 . . 930 . . 91 SER HA . 28117 1 968 . 1 . 1 91 91 SER HB2 H 1 3.697 0.028 . 1 . . 928 . . 91 SER HB2 . 28117 1 969 . 1 . 1 91 91 SER HB3 H 1 3.673 0.004 . 1 . . 929 . . 91 SER HB3 . 28117 1 970 . 1 . 1 91 91 SER C C 13 173.996 . . 1 . . 468 . . 91 SER C . 28117 1 971 . 1 . 1 91 91 SER CA C 13 58.151 0.087 . 1 . . 209 . . 91 SER CA . 28117 1 972 . 1 . 1 91 91 SER CB C 13 63.172 0.316 . 1 . . 210 . . 91 SER CB . 28117 1 973 . 1 . 1 91 91 SER N N 15 116.796 0.018 . 1 . . 18 . . 91 SER N . 28117 1 974 . 1 . 1 92 92 ARG H H 1 8.080 0.002 . 1 . . 107 . . 92 ARG H . 28117 1 975 . 1 . 1 92 92 ARG HA H 1 4.219 0.007 . 1 . . 933 . . 92 ARG HA . 28117 1 976 . 1 . 1 92 92 ARG HB2 H 1 1.750 0.007 . 1 . . 934 . . 92 ARG HB2 . 28117 1 977 . 1 . 1 92 92 ARG HB3 H 1 1.584 0.008 . 1 . . 1000 . . 92 ARG HB3 . 28117 1 978 . 1 . 1 92 92 ARG HG2 H 1 1.463 0.016 . 1 . . 1001 . . 92 ARG HG2 . 28117 1 979 . 1 . 1 92 92 ARG HG3 H 1 1.457 0.015 . 1 . . 937 . . 92 ARG HG3 . 28117 1 980 . 1 . 1 92 92 ARG HD2 H 1 2.975 0.0 . 1 . . 938 . . 92 ARG HD2 . 28117 1 981 . 1 . 1 92 92 ARG HD3 H 1 2.975 0.0 . 1 . . 939 . . 92 ARG HD3 . 28117 1 982 . 1 . 1 92 92 ARG C C 13 175.105 0.002 . 1 . . 342 . . 92 ARG C . 28117 1 983 . 1 . 1 92 92 ARG CA C 13 55.421 0.079 . 1 . . 340 . . 92 ARG CA . 28117 1 984 . 1 . 1 92 92 ARG CB C 13 30.283 0.072 . 1 . . 341 . . 92 ARG CB . 28117 1 985 . 1 . 1 92 92 ARG CG C 13 26.594 0.141 . 1 . . 931 . . 92 ARG CG . 28117 1 986 . 1 . 1 92 92 ARG CD C 13 42.764 0.019 . 1 . . 932 . . 92 ARG CD . 28117 1 987 . 1 . 1 92 92 ARG N N 15 123.379 0.056 . 1 . . 108 . . 92 ARG N . 28117 1 988 . 1 . 1 93 93 GLY H H 1 7.828 0.001 . 1 . . 33 . . 93 GLY H . 28117 1 989 . 1 . 1 93 93 GLY HA2 H 1 3.612 . . 1 . . 1003 . . 93 GLY HA2 . 28117 1 990 . 1 . 1 93 93 GLY HA3 H 1 3.612 . . 1 . . 1002 . . 93 GLY HA3 . 28117 1 991 . 1 . 1 93 93 GLY C C 13 178.348 . . 1 . . 231 . . 93 GLY C . 28117 1 992 . 1 . 1 93 93 GLY CA C 13 45.498 . . 1 . . 232 . . 93 GLY CA . 28117 1 993 . 1 . 1 93 93 GLY N N 15 116.484 0.003 . 1 . . 34 . . 93 GLY N . 28117 1 stop_ save_