data_10127 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10127 _Entry.Title ; Solution structure of the alpha-helical domain from mouse hypothetical PNPase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-04-02 _Entry.Accession_date 2007-04-04 _Entry.Last_release_date 2008-09-02 _Entry.Original_release_date 2008-09-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version production.3.0.2.8 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _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.Entry_ID 1 T. Nagata . . . 10127 2 Y. Muto . . . 10127 3 M. Inoue . . . 10127 4 T. Kigawa . . . 10127 5 T. Terada . . . 10127 6 M. Shirouzu . . . 10127 7 S. Yokoyama . . . 10127 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 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10127 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10127 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 427 10127 '15N chemical shifts' 88 10127 '1H chemical shifts' 676 10127 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-09-02 2007-04-02 original author . 10127 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WHU 'BMRB Entry Tracking System' 10127 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10127 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the alpha-helical domain from mouse hypothetical PNPase' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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.Entry_ID _Citation_author.Citation_ID 1 T. Nagata . . . 10127 1 2 Y. Muto . . . 10127 1 3 M. Inoue . . . 10127 1 4 T. Kigawa . . . 10127 1 5 T. Terada . . . 10127 1 6 M. Shirouzu . . . 10127 1 7 S. Yokoyama . . . 10127 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10127 _Assembly.ID 1 _Assembly.Name 'hypothetical PNPase' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'hypothetical PNPase' 1 $entity_1 A . yes native no no . . . 10127 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1WHU . . 'solution NMR' . . . 10127 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10127 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'alpha-helical domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGPQKIFTPSAEIVK YTKIIAMEKLYAVFTDYEHD KVSRDEAVNKIRLDTEEHLK EKFPEVDQFEIIESFNIVAK EVFRSIILNEYKRCDGRDSG PSSG ; _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 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 no PDB 1WHU . "Solution Structure Of The Alpha-Helical Domain From Mouse Hypothetical Pnpase" . . . . . 100.00 104 100.00 100.00 5.18e-68 . . . . 10127 1 2 no DBJ BAB23374 . "unnamed protein product [Mus musculus]" . . . . . 87.50 540 100.00 100.00 7.51e-55 . . . . 10127 1 3 no DBJ BAE25732 . "unnamed protein product [Mus musculus]" . . . . . 87.50 783 100.00 100.00 6.31e-54 . . . . 10127 1 4 no DBJ BAE28862 . "unnamed protein product [Mus musculus]" . . . . . 87.50 783 100.00 100.00 6.12e-54 . . . . 10127 1 5 no DBJ BAE36595 . "unnamed protein product [Mus musculus]" . . . . . 87.50 783 100.00 100.00 6.06e-54 . . . . 10127 1 6 no DBJ BAE38260 . "unnamed protein product [Mus musculus]" . . . . . 87.50 783 100.00 100.00 6.50e-54 . . . . 10127 1 7 no EMBL CAD45436 . "polynucleotide phosphorylase-like protein [Mus musculus]" . . . . . 87.50 783 100.00 100.00 6.12e-54 . . . . 10127 1 8 no GB AAH27228 . "Pnpt1 protein, partial [Mus musculus]" . . . . . 87.50 647 100.00 100.00 4.13e-54 . . . . 10127 1 9 no GB AAH55826 . "Polyribonucleotide nucleotidyltransferase 1 [Mus musculus]" . . . . . 87.50 783 100.00 100.00 6.12e-54 . . . . 10127 1 10 no GB EDL23813 . "polyribonucleotide nucleotidyltransferase 1, isoform CRA_a [Mus musculus]" . . . . . 87.50 783 100.00 100.00 6.12e-54 . . . . 10127 1 11 no GB EDL23814 . "polyribonucleotide nucleotidyltransferase 1, isoform CRA_b, partial [Mus musculus]" . . . . . 87.50 551 100.00 100.00 1.08e-54 . . . . 10127 1 12 no REF NP_082145 . "polyribonucleotide nucleotidyltransferase 1, mitochondrial precursor [Mus musculus]" . . . . . 87.50 783 100.00 100.00 6.12e-54 . . . . 10127 1 13 no REF XP_006514876 . "PREDICTED: polyribonucleotide nucleotidyltransferase 1, mitochondrial isoform X2 [Mus musculus]" . . . . . 69.23 492 100.00 100.00 4.92e-41 . . . . 10127 1 14 no REF XP_011242053 . "PREDICTED: polyribonucleotide nucleotidyltransferase 1, mitochondrial isoform X1 [Mus musculus]" . . . . . 87.50 783 100.00 100.00 6.12e-54 . . . . 10127 1 15 no SP Q8K1R3 . "RecName: Full=Polyribonucleotide nucleotidyltransferase 1, mitochondrial; AltName: Full=3'-5' RNA exonuclease OLD35; AltName: F" . . . . . 87.50 783 100.00 100.00 6.12e-54 . . . . 10127 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'alpha-helical domain' . 10127 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 . 10127 1 2 . SER . 10127 1 3 . SER . 10127 1 4 . GLY . 10127 1 5 . SER . 10127 1 6 . SER . 10127 1 7 . GLY . 10127 1 8 . PRO . 10127 1 9 . GLN . 10127 1 10 . LYS . 10127 1 11 . ILE . 10127 1 12 . PHE . 10127 1 13 . THR . 10127 1 14 . PRO . 10127 1 15 . SER . 10127 1 16 . ALA . 10127 1 17 . GLU . 10127 1 18 . ILE . 10127 1 19 . VAL . 10127 1 20 . LYS . 10127 1 21 . TYR . 10127 1 22 . THR . 10127 1 23 . LYS . 10127 1 24 . ILE . 10127 1 25 . ILE . 10127 1 26 . ALA . 10127 1 27 . MET . 10127 1 28 . GLU . 10127 1 29 . LYS . 10127 1 30 . LEU . 10127 1 31 . TYR . 10127 1 32 . ALA . 10127 1 33 . VAL . 10127 1 34 . PHE . 10127 1 35 . THR . 10127 1 36 . ASP . 10127 1 37 . TYR . 10127 1 38 . GLU . 10127 1 39 . HIS . 10127 1 40 . ASP . 10127 1 41 . LYS . 10127 1 42 . VAL . 10127 1 43 . SER . 10127 1 44 . ARG . 10127 1 45 . ASP . 10127 1 46 . GLU . 10127 1 47 . ALA . 10127 1 48 . VAL . 10127 1 49 . ASN . 10127 1 50 . LYS . 10127 1 51 . ILE . 10127 1 52 . ARG . 10127 1 53 . LEU . 10127 1 54 . ASP . 10127 1 55 . THR . 10127 1 56 . GLU . 10127 1 57 . GLU . 10127 1 58 . HIS . 10127 1 59 . LEU . 10127 1 60 . LYS . 10127 1 61 . GLU . 10127 1 62 . LYS . 10127 1 63 . PHE . 10127 1 64 . PRO . 10127 1 65 . GLU . 10127 1 66 . VAL . 10127 1 67 . ASP . 10127 1 68 . GLN . 10127 1 69 . PHE . 10127 1 70 . GLU . 10127 1 71 . ILE . 10127 1 72 . ILE . 10127 1 73 . GLU . 10127 1 74 . SER . 10127 1 75 . PHE . 10127 1 76 . ASN . 10127 1 77 . ILE . 10127 1 78 . VAL . 10127 1 79 . ALA . 10127 1 80 . LYS . 10127 1 81 . GLU . 10127 1 82 . VAL . 10127 1 83 . PHE . 10127 1 84 . ARG . 10127 1 85 . SER . 10127 1 86 . ILE . 10127 1 87 . ILE . 10127 1 88 . LEU . 10127 1 89 . ASN . 10127 1 90 . GLU . 10127 1 91 . TYR . 10127 1 92 . LYS . 10127 1 93 . ARG . 10127 1 94 . CYS . 10127 1 95 . ASP . 10127 1 96 . GLY . 10127 1 97 . ARG . 10127 1 98 . ASP . 10127 1 99 . SER . 10127 1 100 . GLY . 10127 1 101 . PRO . 10127 1 102 . SER . 10127 1 103 . SER . 10127 1 104 . GLY . 10127 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 10127 1 . SER 2 2 10127 1 . SER 3 3 10127 1 . GLY 4 4 10127 1 . SER 5 5 10127 1 . SER 6 6 10127 1 . GLY 7 7 10127 1 . PRO 8 8 10127 1 . GLN 9 9 10127 1 . LYS 10 10 10127 1 . ILE 11 11 10127 1 . PHE 12 12 10127 1 . THR 13 13 10127 1 . PRO 14 14 10127 1 . SER 15 15 10127 1 . ALA 16 16 10127 1 . GLU 17 17 10127 1 . ILE 18 18 10127 1 . VAL 19 19 10127 1 . LYS 20 20 10127 1 . TYR 21 21 10127 1 . THR 22 22 10127 1 . LYS 23 23 10127 1 . ILE 24 24 10127 1 . ILE 25 25 10127 1 . ALA 26 26 10127 1 . MET 27 27 10127 1 . GLU 28 28 10127 1 . LYS 29 29 10127 1 . LEU 30 30 10127 1 . TYR 31 31 10127 1 . ALA 32 32 10127 1 . VAL 33 33 10127 1 . PHE 34 34 10127 1 . THR 35 35 10127 1 . ASP 36 36 10127 1 . TYR 37 37 10127 1 . GLU 38 38 10127 1 . HIS 39 39 10127 1 . ASP 40 40 10127 1 . LYS 41 41 10127 1 . VAL 42 42 10127 1 . SER 43 43 10127 1 . ARG 44 44 10127 1 . ASP 45 45 10127 1 . GLU 46 46 10127 1 . ALA 47 47 10127 1 . VAL 48 48 10127 1 . ASN 49 49 10127 1 . LYS 50 50 10127 1 . ILE 51 51 10127 1 . ARG 52 52 10127 1 . LEU 53 53 10127 1 . ASP 54 54 10127 1 . THR 55 55 10127 1 . GLU 56 56 10127 1 . GLU 57 57 10127 1 . HIS 58 58 10127 1 . LEU 59 59 10127 1 . LYS 60 60 10127 1 . GLU 61 61 10127 1 . LYS 62 62 10127 1 . PHE 63 63 10127 1 . PRO 64 64 10127 1 . GLU 65 65 10127 1 . VAL 66 66 10127 1 . ASP 67 67 10127 1 . GLN 68 68 10127 1 . PHE 69 69 10127 1 . GLU 70 70 10127 1 . ILE 71 71 10127 1 . ILE 72 72 10127 1 . GLU 73 73 10127 1 . SER 74 74 10127 1 . PHE 75 75 10127 1 . ASN 76 76 10127 1 . ILE 77 77 10127 1 . VAL 78 78 10127 1 . ALA 79 79 10127 1 . LYS 80 80 10127 1 . GLU 81 81 10127 1 . VAL 82 82 10127 1 . PHE 83 83 10127 1 . ARG 84 84 10127 1 . SER 85 85 10127 1 . ILE 86 86 10127 1 . ILE 87 87 10127 1 . LEU 88 88 10127 1 . ASN 89 89 10127 1 . GLU 90 90 10127 1 . TYR 91 91 10127 1 . LYS 92 92 10127 1 . ARG 93 93 10127 1 . CYS 94 94 10127 1 . ASP 95 95 10127 1 . GLY 96 96 10127 1 . ARG 97 97 10127 1 . ASP 98 98 10127 1 . SER 99 99 10127 1 . GLY 100 100 10127 1 . PRO 101 101 10127 1 . SER 102 102 10127 1 . SER 103 103 10127 1 . GLY 104 104 10127 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 10127 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10090 . . . mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 10127 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 10127 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P031222-56 . . . . . . 10127 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10127 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'alpha-helical domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 1.12 . . mM . . . . 10127 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10127 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10127 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10127 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10127 1 6 H2O . . . . . . solvent 90 . . % . . . . 10127 1 7 D2O . . . . . . solvent 10 . . % . . . . 10127 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10127 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 0.1 mM 10127 1 pH 7.0 0.05 pH 10127 1 pressure 1 0.001 atm 10127 1 temperature 298 0.1 K 10127 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10127 _Software.ID 1 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Johnson . . 10127 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10127 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10127 _Software.ID 2 _Software.Name CYANA _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10127 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10127 2 'structure solution' 10127 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10127 _Software.ID 3 _Software.Name NMRPipe _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10127 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10127 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10127 _Software.ID 4 _Software.Name Kujira _Software.Version 0.901 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10127 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10127 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 10127 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10127 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 10127 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 10127 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10127 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10127 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10127 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 10127 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10127 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10127 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10127 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10127 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10127 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 SER H H 1 8.334 0.030 . 1 . . . . 3 SER H . 10127 1 2 . 1 1 3 3 SER CB C 13 63.792 0.300 . 1 . . . . 3 SER CB . 10127 1 3 . 1 1 3 3 SER N N 15 117.928 0.300 . 1 . . . . 3 SER N . 10127 1 4 . 1 1 8 8 PRO HA H 1 4.362 0.030 . 1 . . . . 8 PRO HA . 10127 1 5 . 1 1 8 8 PRO HB2 H 1 1.842 0.030 . 2 . . . . 8 PRO HB2 . 10127 1 6 . 1 1 8 8 PRO HB3 H 1 2.213 0.030 . 2 . . . . 8 PRO HB3 . 10127 1 7 . 1 1 8 8 PRO HG2 H 1 1.956 0.030 . 1 . . . . 8 PRO HG2 . 10127 1 8 . 1 1 8 8 PRO HG3 H 1 1.956 0.030 . 1 . . . . 8 PRO HG3 . 10127 1 9 . 1 1 8 8 PRO HD2 H 1 3.560 0.030 . 1 . . . . 8 PRO HD2 . 10127 1 10 . 1 1 8 8 PRO HD3 H 1 3.560 0.030 . 1 . . . . 8 PRO HD3 . 10127 1 11 . 1 1 8 8 PRO C C 13 176.211 0.300 . 1 . . . . 8 PRO C . 10127 1 12 . 1 1 8 8 PRO CA C 13 63.125 0.300 . 1 . . . . 8 PRO CA . 10127 1 13 . 1 1 8 8 PRO CB C 13 32.450 0.300 . 1 . . . . 8 PRO CB . 10127 1 14 . 1 1 8 8 PRO CG C 13 27.145 0.300 . 1 . . . . 8 PRO CG . 10127 1 15 . 1 1 8 8 PRO CD C 13 49.700 0.300 . 1 . . . . 8 PRO CD . 10127 1 16 . 1 1 9 9 GLN H H 1 8.430 0.030 . 1 . . . . 9 GLN H . 10127 1 17 . 1 1 9 9 GLN HA H 1 4.221 0.030 . 1 . . . . 9 GLN HA . 10127 1 18 . 1 1 9 9 GLN HB2 H 1 1.903 0.030 . 2 . . . . 9 GLN HB2 . 10127 1 19 . 1 1 9 9 GLN HB3 H 1 2.006 0.030 . 2 . . . . 9 GLN HB3 . 10127 1 20 . 1 1 9 9 GLN HG2 H 1 2.297 0.030 . 1 . . . . 9 GLN HG2 . 10127 1 21 . 1 1 9 9 GLN HG3 H 1 2.297 0.030 . 1 . . . . 9 GLN HG3 . 10127 1 22 . 1 1 9 9 GLN HE21 H 1 7.460 0.030 . 2 . . . . 9 GLN HE21 . 10127 1 23 . 1 1 9 9 GLN HE22 H 1 6.815 0.030 . 2 . . . . 9 GLN HE22 . 10127 1 24 . 1 1 9 9 GLN C C 13 175.749 0.300 . 1 . . . . 9 GLN C . 10127 1 25 . 1 1 9 9 GLN CA C 13 55.825 0.300 . 1 . . . . 9 GLN CA . 10127 1 26 . 1 1 9 9 GLN CB C 13 29.575 0.300 . 1 . . . . 9 GLN CB . 10127 1 27 . 1 1 9 9 GLN CG C 13 33.825 0.300 . 1 . . . . 9 GLN CG . 10127 1 28 . 1 1 9 9 GLN N N 15 120.832 0.300 . 1 . . . . 9 GLN N . 10127 1 29 . 1 1 9 9 GLN NE2 N 15 112.911 0.300 . 1 . . . . 9 GLN NE2 . 10127 1 30 . 1 1 10 10 LYS H H 1 8.247 0.030 . 1 . . . . 10 LYS H . 10127 1 31 . 1 1 10 10 LYS HA H 1 4.215 0.030 . 1 . . . . 10 LYS HA . 10127 1 32 . 1 1 10 10 LYS HB2 H 1 1.623 0.030 . 1 . . . . 10 LYS HB2 . 10127 1 33 . 1 1 10 10 LYS HB3 H 1 1.623 0.030 . 1 . . . . 10 LYS HB3 . 10127 1 34 . 1 1 10 10 LYS HG2 H 1 1.271 0.030 . 1 . . . . 10 LYS HG2 . 10127 1 35 . 1 1 10 10 LYS HG3 H 1 1.271 0.030 . 1 . . . . 10 LYS HG3 . 10127 1 36 . 1 1 10 10 LYS HD2 H 1 1.578 0.030 . 1 . . . . 10 LYS HD2 . 10127 1 37 . 1 1 10 10 LYS HD3 H 1 1.578 0.030 . 1 . . . . 10 LYS HD3 . 10127 1 38 . 1 1 10 10 LYS HE2 H 1 2.909 0.030 . 1 . . . . 10 LYS HE2 . 10127 1 39 . 1 1 10 10 LYS HE3 H 1 2.909 0.030 . 1 . . . . 10 LYS HE3 . 10127 1 40 . 1 1 10 10 LYS C C 13 175.746 0.300 . 1 . . . . 10 LYS C . 10127 1 41 . 1 1 10 10 LYS CA C 13 56.075 0.300 . 1 . . . . 10 LYS CA . 10127 1 42 . 1 1 10 10 LYS CB C 13 33.075 0.300 . 1 . . . . 10 LYS CB . 10127 1 43 . 1 1 10 10 LYS CG C 13 24.700 0.300 . 1 . . . . 10 LYS CG . 10127 1 44 . 1 1 10 10 LYS CD C 13 29.014 0.300 . 1 . . . . 10 LYS CD . 10127 1 45 . 1 1 10 10 LYS CE C 13 42.151 0.300 . 1 . . . . 10 LYS CE . 10127 1 46 . 1 1 10 10 LYS N N 15 123.251 0.300 . 1 . . . . 10 LYS N . 10127 1 47 . 1 1 11 11 ILE H H 1 8.070 0.030 . 1 . . . . 11 ILE H . 10127 1 48 . 1 1 11 11 ILE HA H 1 4.100 0.030 . 1 . . . . 11 ILE HA . 10127 1 49 . 1 1 11 11 ILE HB H 1 1.712 0.030 . 1 . . . . 11 ILE HB . 10127 1 50 . 1 1 11 11 ILE HG12 H 1 1.075 0.030 . 2 . . . . 11 ILE HG12 . 10127 1 51 . 1 1 11 11 ILE HG13 H 1 1.352 0.030 . 2 . . . . 11 ILE HG13 . 10127 1 52 . 1 1 11 11 ILE HG21 H 1 0.778 0.030 . 1 . . . . 11 ILE HG2 . 10127 1 53 . 1 1 11 11 ILE HG22 H 1 0.778 0.030 . 1 . . . . 11 ILE HG2 . 10127 1 54 . 1 1 11 11 ILE HG23 H 1 0.778 0.030 . 1 . . . . 11 ILE HG2 . 10127 1 55 . 1 1 11 11 ILE HD11 H 1 0.764 0.030 . 1 . . . . 11 ILE HD1 . 10127 1 56 . 1 1 11 11 ILE HD12 H 1 0.764 0.030 . 1 . . . . 11 ILE HD1 . 10127 1 57 . 1 1 11 11 ILE HD13 H 1 0.764 0.030 . 1 . . . . 11 ILE HD1 . 10127 1 58 . 1 1 11 11 ILE C C 13 175.584 0.300 . 1 . . . . 11 ILE C . 10127 1 59 . 1 1 11 11 ILE CA C 13 60.543 0.300 . 1 . . . . 11 ILE CA . 10127 1 60 . 1 1 11 11 ILE CB C 13 38.908 0.300 . 1 . . . . 11 ILE CB . 10127 1 61 . 1 1 11 11 ILE CG1 C 13 27.200 0.300 . 1 . . . . 11 ILE CG1 . 10127 1 62 . 1 1 11 11 ILE CG2 C 13 17.431 0.300 . 1 . . . . 11 ILE CG2 . 10127 1 63 . 1 1 11 11 ILE CD1 C 13 12.698 0.300 . 1 . . . . 11 ILE CD1 . 10127 1 64 . 1 1 11 11 ILE N N 15 122.693 0.300 . 1 . . . . 11 ILE N . 10127 1 65 . 1 1 12 12 PHE H H 1 8.486 0.030 . 1 . . . . 12 PHE H . 10127 1 66 . 1 1 12 12 PHE HA H 1 4.609 0.030 . 1 . . . . 12 PHE HA . 10127 1 67 . 1 1 12 12 PHE HB2 H 1 2.969 0.030 . 2 . . . . 12 PHE HB2 . 10127 1 68 . 1 1 12 12 PHE HB3 H 1 2.922 0.030 . 2 . . . . 12 PHE HB3 . 10127 1 69 . 1 1 12 12 PHE HD1 H 1 7.149 0.030 . 1 . . . . 12 PHE HD1 . 10127 1 70 . 1 1 12 12 PHE HD2 H 1 7.149 0.030 . 1 . . . . 12 PHE HD2 . 10127 1 71 . 1 1 12 12 PHE C C 13 174.782 0.300 . 1 . . . . 12 PHE C . 10127 1 72 . 1 1 12 12 PHE CA C 13 57.575 0.300 . 1 . . . . 12 PHE CA . 10127 1 73 . 1 1 12 12 PHE CB C 13 40.094 0.300 . 1 . . . . 12 PHE CB . 10127 1 74 . 1 1 12 12 PHE CD1 C 13 131.825 0.300 . 1 . . . . 12 PHE CD1 . 10127 1 75 . 1 1 12 12 PHE CD2 C 13 131.825 0.300 . 1 . . . . 12 PHE CD2 . 10127 1 76 . 1 1 12 12 PHE N N 15 125.989 0.300 . 1 . . . . 12 PHE N . 10127 1 77 . 1 1 13 13 THR H H 1 8.120 0.030 . 1 . . . . 13 THR H . 10127 1 78 . 1 1 13 13 THR HA H 1 4.498 0.030 . 1 . . . . 13 THR HA . 10127 1 79 . 1 1 13 13 THR HB H 1 3.898 0.030 . 1 . . . . 13 THR HB . 10127 1 80 . 1 1 13 13 THR HG21 H 1 1.101 0.030 . 1 . . . . 13 THR HG2 . 10127 1 81 . 1 1 13 13 THR HG22 H 1 1.101 0.030 . 1 . . . . 13 THR HG2 . 10127 1 82 . 1 1 13 13 THR HG23 H 1 1.101 0.030 . 1 . . . . 13 THR HG2 . 10127 1 83 . 1 1 13 13 THR C C 13 171.812 0.300 . 1 . . . . 13 THR C . 10127 1 84 . 1 1 13 13 THR CA C 13 58.950 0.300 . 1 . . . . 13 THR CA . 10127 1 85 . 1 1 13 13 THR CB C 13 70.269 0.300 . 1 . . . . 13 THR CB . 10127 1 86 . 1 1 13 13 THR CG2 C 13 21.091 0.300 . 1 . . . . 13 THR CG2 . 10127 1 87 . 1 1 13 13 THR N N 15 120.366 0.300 . 1 . . . . 13 THR N . 10127 1 88 . 1 1 14 14 PRO HA H 1 4.372 0.030 . 1 . . . . 14 PRO HA . 10127 1 89 . 1 1 14 14 PRO HB2 H 1 1.841 0.030 . 2 . . . . 14 PRO HB2 . 10127 1 90 . 1 1 14 14 PRO HB3 H 1 2.210 0.030 . 2 . . . . 14 PRO HB3 . 10127 1 91 . 1 1 14 14 PRO HG2 H 1 1.835 0.030 . 2 . . . . 14 PRO HG2 . 10127 1 92 . 1 1 14 14 PRO HG3 H 1 1.773 0.030 . 2 . . . . 14 PRO HG3 . 10127 1 93 . 1 1 14 14 PRO HD2 H 1 3.600 0.030 . 1 . . . . 14 PRO HD2 . 10127 1 94 . 1 1 14 14 PRO HD3 H 1 3.600 0.030 . 1 . . . . 14 PRO HD3 . 10127 1 95 . 1 1 14 14 PRO C C 13 175.908 0.300 . 1 . . . . 14 PRO C . 10127 1 96 . 1 1 14 14 PRO CA C 13 62.061 0.300 . 1 . . . . 14 PRO CA . 10127 1 97 . 1 1 14 14 PRO CB C 13 32.450 0.300 . 1 . . . . 14 PRO CB . 10127 1 98 . 1 1 14 14 PRO CG C 13 27.663 0.300 . 1 . . . . 14 PRO CG . 10127 1 99 . 1 1 14 14 PRO CD C 13 50.825 0.300 . 1 . . . . 14 PRO CD . 10127 1 100 . 1 1 15 15 SER H H 1 8.825 0.030 . 1 . . . . 15 SER H . 10127 1 101 . 1 1 15 15 SER HA H 1 4.194 0.030 . 1 . . . . 15 SER HA . 10127 1 102 . 1 1 15 15 SER HB2 H 1 3.878 0.030 . 2 . . . . 15 SER HB2 . 10127 1 103 . 1 1 15 15 SER HB3 H 1 4.078 0.030 . 2 . . . . 15 SER HB3 . 10127 1 104 . 1 1 15 15 SER C C 13 175.396 0.300 . 1 . . . . 15 SER C . 10127 1 105 . 1 1 15 15 SER CA C 13 58.450 0.300 . 1 . . . . 15 SER CA . 10127 1 106 . 1 1 15 15 SER CB C 13 63.792 0.300 . 1 . . . . 15 SER CB . 10127 1 107 . 1 1 15 15 SER N N 15 117.853 0.300 . 1 . . . . 15 SER N . 10127 1 108 . 1 1 16 16 ALA H H 1 8.764 0.030 . 1 . . . . 16 ALA H . 10127 1 109 . 1 1 16 16 ALA HA H 1 3.992 0.030 . 1 . . . . 16 ALA HA . 10127 1 110 . 1 1 16 16 ALA HB1 H 1 1.431 0.030 . 1 . . . . 16 ALA HB . 10127 1 111 . 1 1 16 16 ALA HB2 H 1 1.431 0.030 . 1 . . . . 16 ALA HB . 10127 1 112 . 1 1 16 16 ALA HB3 H 1 1.431 0.030 . 1 . . . . 16 ALA HB . 10127 1 113 . 1 1 16 16 ALA C C 13 180.575 0.300 . 1 . . . . 16 ALA C . 10127 1 114 . 1 1 16 16 ALA CA C 13 55.075 0.300 . 1 . . . . 16 ALA CA . 10127 1 115 . 1 1 16 16 ALA CB C 13 18.325 0.300 . 1 . . . . 16 ALA CB . 10127 1 116 . 1 1 16 16 ALA N N 15 126.841 0.300 . 1 . . . . 16 ALA N . 10127 1 117 . 1 1 17 17 GLU H H 1 8.494 0.030 . 1 . . . . 17 GLU H . 10127 1 118 . 1 1 17 17 GLU HA H 1 4.054 0.030 . 1 . . . . 17 GLU HA . 10127 1 119 . 1 1 17 17 GLU HB2 H 1 2.008 0.030 . 1 . . . . 17 GLU HB2 . 10127 1 120 . 1 1 17 17 GLU HB3 H 1 2.008 0.030 . 1 . . . . 17 GLU HB3 . 10127 1 121 . 1 1 17 17 GLU HG2 H 1 2.341 0.030 . 1 . . . . 17 GLU HG2 . 10127 1 122 . 1 1 17 17 GLU HG3 H 1 2.341 0.030 . 1 . . . . 17 GLU HG3 . 10127 1 123 . 1 1 17 17 GLU C C 13 178.828 0.300 . 1 . . . . 17 GLU C . 10127 1 124 . 1 1 17 17 GLU CA C 13 59.392 0.300 . 1 . . . . 17 GLU CA . 10127 1 125 . 1 1 17 17 GLU CB C 13 29.484 0.300 . 1 . . . . 17 GLU CB . 10127 1 126 . 1 1 17 17 GLU CG C 13 36.218 0.300 . 1 . . . . 17 GLU CG . 10127 1 127 . 1 1 17 17 GLU N N 15 117.015 0.300 . 1 . . . . 17 GLU N . 10127 1 128 . 1 1 18 18 ILE H H 1 7.402 0.030 . 1 . . . . 18 ILE H . 10127 1 129 . 1 1 18 18 ILE HA H 1 3.590 0.030 . 1 . . . . 18 ILE HA . 10127 1 130 . 1 1 18 18 ILE HB H 1 1.670 0.030 . 1 . . . . 18 ILE HB . 10127 1 131 . 1 1 18 18 ILE HG12 H 1 0.219 0.030 . 2 . . . . 18 ILE HG12 . 10127 1 132 . 1 1 18 18 ILE HG13 H 1 0.945 0.030 . 2 . . . . 18 ILE HG13 . 10127 1 133 . 1 1 18 18 ILE HG21 H 1 0.788 0.030 . 1 . . . . 18 ILE HG2 . 10127 1 134 . 1 1 18 18 ILE HG22 H 1 0.788 0.030 . 1 . . . . 18 ILE HG2 . 10127 1 135 . 1 1 18 18 ILE HG23 H 1 0.788 0.030 . 1 . . . . 18 ILE HG2 . 10127 1 136 . 1 1 18 18 ILE HD11 H 1 0.340 0.030 . 1 . . . . 18 ILE HD1 . 10127 1 137 . 1 1 18 18 ILE HD12 H 1 0.340 0.030 . 1 . . . . 18 ILE HD1 . 10127 1 138 . 1 1 18 18 ILE HD13 H 1 0.340 0.030 . 1 . . . . 18 ILE HD1 . 10127 1 139 . 1 1 18 18 ILE C C 13 179.707 0.300 . 1 . . . . 18 ILE C . 10127 1 140 . 1 1 18 18 ILE CA C 13 64.200 0.300 . 1 . . . . 18 ILE CA . 10127 1 141 . 1 1 18 18 ILE CB C 13 36.908 0.300 . 1 . . . . 18 ILE CB . 10127 1 142 . 1 1 18 18 ILE CG1 C 13 27.966 0.300 . 1 . . . . 18 ILE CG1 . 10127 1 143 . 1 1 18 18 ILE CG2 C 13 16.950 0.300 . 1 . . . . 18 ILE CG2 . 10127 1 144 . 1 1 18 18 ILE CD1 C 13 13.053 0.300 . 1 . . . . 18 ILE CD1 . 10127 1 145 . 1 1 18 18 ILE N N 15 120.595 0.300 . 1 . . . . 18 ILE N . 10127 1 146 . 1 1 19 19 VAL H H 1 7.961 0.030 . 1 . . . . 19 VAL H . 10127 1 147 . 1 1 19 19 VAL HA H 1 3.458 0.030 . 1 . . . . 19 VAL HA . 10127 1 148 . 1 1 19 19 VAL HB H 1 2.006 0.030 . 1 . . . . 19 VAL HB . 10127 1 149 . 1 1 19 19 VAL HG11 H 1 0.865 0.030 . 1 . . . . 19 VAL HG1 . 10127 1 150 . 1 1 19 19 VAL HG12 H 1 0.865 0.030 . 1 . . . . 19 VAL HG1 . 10127 1 151 . 1 1 19 19 VAL HG13 H 1 0.865 0.030 . 1 . . . . 19 VAL HG1 . 10127 1 152 . 1 1 19 19 VAL HG21 H 1 0.996 0.030 . 1 . . . . 19 VAL HG2 . 10127 1 153 . 1 1 19 19 VAL HG22 H 1 0.996 0.030 . 1 . . . . 19 VAL HG2 . 10127 1 154 . 1 1 19 19 VAL HG23 H 1 0.996 0.030 . 1 . . . . 19 VAL HG2 . 10127 1 155 . 1 1 19 19 VAL C C 13 177.529 0.300 . 1 . . . . 19 VAL C . 10127 1 156 . 1 1 19 19 VAL CA C 13 67.408 0.300 . 1 . . . . 19 VAL CA . 10127 1 157 . 1 1 19 19 VAL CB C 13 31.849 0.300 . 1 . . . . 19 VAL CB . 10127 1 158 . 1 1 19 19 VAL CG1 C 13 21.148 0.300 . 2 . . . . 19 VAL CG1 . 10127 1 159 . 1 1 19 19 VAL CG2 C 13 23.200 0.300 . 2 . . . . 19 VAL CG2 . 10127 1 160 . 1 1 19 19 VAL N N 15 125.546 0.300 . 1 . . . . 19 VAL N . 10127 1 161 . 1 1 20 20 LYS H H 1 8.139 0.030 . 1 . . . . 20 LYS H . 10127 1 162 . 1 1 20 20 LYS HA H 1 3.890 0.030 . 1 . . . . 20 LYS HA . 10127 1 163 . 1 1 20 20 LYS HB2 H 1 1.919 0.030 . 1 . . . . 20 LYS HB2 . 10127 1 164 . 1 1 20 20 LYS HB3 H 1 1.919 0.030 . 1 . . . . 20 LYS HB3 . 10127 1 165 . 1 1 20 20 LYS HG2 H 1 1.329 0.030 . 2 . . . . 20 LYS HG2 . 10127 1 166 . 1 1 20 20 LYS HG3 H 1 1.541 0.030 . 2 . . . . 20 LYS HG3 . 10127 1 167 . 1 1 20 20 LYS HD2 H 1 1.679 0.030 . 2 . . . . 20 LYS HD2 . 10127 1 168 . 1 1 20 20 LYS HD3 H 1 1.637 0.030 . 2 . . . . 20 LYS HD3 . 10127 1 169 . 1 1 20 20 LYS HE2 H 1 2.903 0.030 . 1 . . . . 20 LYS HE2 . 10127 1 170 . 1 1 20 20 LYS HE3 H 1 2.903 0.030 . 1 . . . . 20 LYS HE3 . 10127 1 171 . 1 1 20 20 LYS C C 13 179.098 0.300 . 1 . . . . 20 LYS C . 10127 1 172 . 1 1 20 20 LYS CA C 13 60.075 0.300 . 1 . . . . 20 LYS CA . 10127 1 173 . 1 1 20 20 LYS CB C 13 32.450 0.300 . 1 . . . . 20 LYS CB . 10127 1 174 . 1 1 20 20 LYS CG C 13 25.075 0.300 . 1 . . . . 20 LYS CG . 10127 1 175 . 1 1 20 20 LYS CD C 13 29.543 0.300 . 1 . . . . 20 LYS CD . 10127 1 176 . 1 1 20 20 LYS CE C 13 41.932 0.300 . 1 . . . . 20 LYS CE . 10127 1 177 . 1 1 20 20 LYS N N 15 119.133 0.300 . 1 . . . . 20 LYS N . 10127 1 178 . 1 1 21 21 TYR H H 1 7.950 0.030 . 1 . . . . 21 TYR H . 10127 1 179 . 1 1 21 21 TYR HA H 1 4.245 0.030 . 1 . . . . 21 TYR HA . 10127 1 180 . 1 1 21 21 TYR HB2 H 1 3.064 0.030 . 2 . . . . 21 TYR HB2 . 10127 1 181 . 1 1 21 21 TYR HB3 H 1 3.398 0.030 . 2 . . . . 21 TYR HB3 . 10127 1 182 . 1 1 21 21 TYR HD1 H 1 7.228 0.030 . 1 . . . . 21 TYR HD1 . 10127 1 183 . 1 1 21 21 TYR HD2 H 1 7.228 0.030 . 1 . . . . 21 TYR HD2 . 10127 1 184 . 1 1 21 21 TYR HE1 H 1 6.799 0.030 . 1 . . . . 21 TYR HE1 . 10127 1 185 . 1 1 21 21 TYR HE2 H 1 6.799 0.030 . 1 . . . . 21 TYR HE2 . 10127 1 186 . 1 1 21 21 TYR C C 13 177.090 0.300 . 1 . . . . 21 TYR C . 10127 1 187 . 1 1 21 21 TYR CA C 13 62.093 0.300 . 1 . . . . 21 TYR CA . 10127 1 188 . 1 1 21 21 TYR CB C 13 38.804 0.300 . 1 . . . . 21 TYR CB . 10127 1 189 . 1 1 21 21 TYR CD1 C 13 133.036 0.300 . 1 . . . . 21 TYR CD1 . 10127 1 190 . 1 1 21 21 TYR CD2 C 13 133.036 0.300 . 1 . . . . 21 TYR CD2 . 10127 1 191 . 1 1 21 21 TYR CE1 C 13 117.950 0.300 . 1 . . . . 21 TYR CE1 . 10127 1 192 . 1 1 21 21 TYR CE2 C 13 117.950 0.300 . 1 . . . . 21 TYR CE2 . 10127 1 193 . 1 1 21 21 TYR N N 15 118.843 0.300 . 1 . . . . 21 TYR N . 10127 1 194 . 1 1 22 22 THR H H 1 8.425 0.030 . 1 . . . . 22 THR H . 10127 1 195 . 1 1 22 22 THR HA H 1 3.653 0.030 . 1 . . . . 22 THR HA . 10127 1 196 . 1 1 22 22 THR HB H 1 4.391 0.030 . 1 . . . . 22 THR HB . 10127 1 197 . 1 1 22 22 THR HG21 H 1 1.059 0.030 . 1 . . . . 22 THR HG2 . 10127 1 198 . 1 1 22 22 THR HG22 H 1 1.059 0.030 . 1 . . . . 22 THR HG2 . 10127 1 199 . 1 1 22 22 THR HG23 H 1 1.059 0.030 . 1 . . . . 22 THR HG2 . 10127 1 200 . 1 1 22 22 THR C C 13 176.144 0.300 . 1 . . . . 22 THR C . 10127 1 201 . 1 1 22 22 THR CA C 13 68.200 0.300 . 1 . . . . 22 THR CA . 10127 1 202 . 1 1 22 22 THR CB C 13 67.450 0.300 . 1 . . . . 22 THR CB . 10127 1 203 . 1 1 22 22 THR CG2 C 13 21.158 0.300 . 1 . . . . 22 THR CG2 . 10127 1 204 . 1 1 22 22 THR N N 15 115.988 0.300 . 1 . . . . 22 THR N . 10127 1 205 . 1 1 23 23 LYS H H 1 8.276 0.030 . 1 . . . . 23 LYS H . 10127 1 206 . 1 1 23 23 LYS HA H 1 3.759 0.030 . 1 . . . . 23 LYS HA . 10127 1 207 . 1 1 23 23 LYS HB2 H 1 2.038 0.030 . 2 . . . . 23 LYS HB2 . 10127 1 208 . 1 1 23 23 LYS HB3 H 1 1.945 0.030 . 2 . . . . 23 LYS HB3 . 10127 1 209 . 1 1 23 23 LYS HG2 H 1 1.255 0.030 . 2 . . . . 23 LYS HG2 . 10127 1 210 . 1 1 23 23 LYS HG3 H 1 1.663 0.030 . 2 . . . . 23 LYS HG3 . 10127 1 211 . 1 1 23 23 LYS HD2 H 1 1.654 0.030 . 1 . . . . 23 LYS HD2 . 10127 1 212 . 1 1 23 23 LYS HD3 H 1 1.654 0.030 . 1 . . . . 23 LYS HD3 . 10127 1 213 . 1 1 23 23 LYS HE2 H 1 2.805 0.030 . 2 . . . . 23 LYS HE2 . 10127 1 214 . 1 1 23 23 LYS HE3 H 1 2.725 0.030 . 2 . . . . 23 LYS HE3 . 10127 1 215 . 1 1 23 23 LYS C C 13 178.818 0.300 . 1 . . . . 23 LYS C . 10127 1 216 . 1 1 23 23 LYS CA C 13 61.023 0.300 . 1 . . . . 23 LYS CA . 10127 1 217 . 1 1 23 23 LYS CB C 13 32.551 0.300 . 1 . . . . 23 LYS CB . 10127 1 218 . 1 1 23 23 LYS CG C 13 27.950 0.300 . 1 . . . . 23 LYS CG . 10127 1 219 . 1 1 23 23 LYS CD C 13 29.825 0.300 . 1 . . . . 23 LYS CD . 10127 1 220 . 1 1 23 23 LYS CE C 13 42.151 0.300 . 1 . . . . 23 LYS CE . 10127 1 221 . 1 1 23 23 LYS N N 15 120.674 0.300 . 1 . . . . 23 LYS N . 10127 1 222 . 1 1 24 24 ILE H H 1 7.642 0.030 . 1 . . . . 24 ILE H . 10127 1 223 . 1 1 24 24 ILE HA H 1 3.625 0.030 . 1 . . . . 24 ILE HA . 10127 1 224 . 1 1 24 24 ILE HB H 1 1.922 0.030 . 1 . . . . 24 ILE HB . 10127 1 225 . 1 1 24 24 ILE HG12 H 1 1.144 0.030 . 2 . . . . 24 ILE HG12 . 10127 1 226 . 1 1 24 24 ILE HG13 H 1 1.710 0.030 . 2 . . . . 24 ILE HG13 . 10127 1 227 . 1 1 24 24 ILE HG21 H 1 0.790 0.030 . 1 . . . . 24 ILE HG2 . 10127 1 228 . 1 1 24 24 ILE HG22 H 1 0.790 0.030 . 1 . . . . 24 ILE HG2 . 10127 1 229 . 1 1 24 24 ILE HG23 H 1 0.790 0.030 . 1 . . . . 24 ILE HG2 . 10127 1 230 . 1 1 24 24 ILE HD11 H 1 0.838 0.030 . 1 . . . . 24 ILE HD1 . 10127 1 231 . 1 1 24 24 ILE HD12 H 1 0.838 0.030 . 1 . . . . 24 ILE HD1 . 10127 1 232 . 1 1 24 24 ILE HD13 H 1 0.838 0.030 . 1 . . . . 24 ILE HD1 . 10127 1 233 . 1 1 24 24 ILE C C 13 178.702 0.300 . 1 . . . . 24 ILE C . 10127 1 234 . 1 1 24 24 ILE CA C 13 65.325 0.300 . 1 . . . . 24 ILE CA . 10127 1 235 . 1 1 24 24 ILE CB C 13 37.610 0.300 . 1 . . . . 24 ILE CB . 10127 1 236 . 1 1 24 24 ILE CG1 C 13 29.131 0.300 . 1 . . . . 24 ILE CG1 . 10127 1 237 . 1 1 24 24 ILE CG2 C 13 16.825 0.300 . 1 . . . . 24 ILE CG2 . 10127 1 238 . 1 1 24 24 ILE CD1 C 13 13.325 0.300 . 1 . . . . 24 ILE CD1 . 10127 1 239 . 1 1 24 24 ILE N N 15 119.857 0.300 . 1 . . . . 24 ILE N . 10127 1 240 . 1 1 25 25 ILE H H 1 7.681 0.030 . 1 . . . . 25 ILE H . 10127 1 241 . 1 1 25 25 ILE HA H 1 4.100 0.030 . 1 . . . . 25 ILE HA . 10127 1 242 . 1 1 25 25 ILE HB H 1 1.884 0.030 . 1 . . . . 25 ILE HB . 10127 1 243 . 1 1 25 25 ILE HG12 H 1 1.224 0.030 . 2 . . . . 25 ILE HG12 . 10127 1 244 . 1 1 25 25 ILE HG13 H 1 1.272 0.030 . 2 . . . . 25 ILE HG13 . 10127 1 245 . 1 1 25 25 ILE HG21 H 1 0.676 0.030 . 1 . . . . 25 ILE HG2 . 10127 1 246 . 1 1 25 25 ILE HG22 H 1 0.676 0.030 . 1 . . . . 25 ILE HG2 . 10127 1 247 . 1 1 25 25 ILE HG23 H 1 0.676 0.030 . 1 . . . . 25 ILE HG2 . 10127 1 248 . 1 1 25 25 ILE HD11 H 1 0.686 0.030 . 1 . . . . 25 ILE HD1 . 10127 1 249 . 1 1 25 25 ILE HD12 H 1 0.686 0.030 . 1 . . . . 25 ILE HD1 . 10127 1 250 . 1 1 25 25 ILE HD13 H 1 0.686 0.030 . 1 . . . . 25 ILE HD1 . 10127 1 251 . 1 1 25 25 ILE C C 13 178.697 0.300 . 1 . . . . 25 ILE C . 10127 1 252 . 1 1 25 25 ILE CA C 13 62.575 0.300 . 1 . . . . 25 ILE CA . 10127 1 253 . 1 1 25 25 ILE CB C 13 38.101 0.300 . 1 . . . . 25 ILE CB . 10127 1 254 . 1 1 25 25 ILE CG1 C 13 26.544 0.300 . 1 . . . . 25 ILE CG1 . 10127 1 255 . 1 1 25 25 ILE CG2 C 13 18.413 0.300 . 1 . . . . 25 ILE CG2 . 10127 1 256 . 1 1 25 25 ILE CD1 C 13 13.450 0.300 . 1 . . . . 25 ILE CD1 . 10127 1 257 . 1 1 25 25 ILE N N 15 112.931 0.300 . 1 . . . . 25 ILE N . 10127 1 258 . 1 1 26 26 ALA H H 1 8.469 0.030 . 1 . . . . 26 ALA H . 10127 1 259 . 1 1 26 26 ALA HA H 1 4.718 0.030 . 1 . . . . 26 ALA HA . 10127 1 260 . 1 1 26 26 ALA HB1 H 1 1.448 0.030 . 1 . . . . 26 ALA HB . 10127 1 261 . 1 1 26 26 ALA HB2 H 1 1.448 0.030 . 1 . . . . 26 ALA HB . 10127 1 262 . 1 1 26 26 ALA HB3 H 1 1.448 0.030 . 1 . . . . 26 ALA HB . 10127 1 263 . 1 1 26 26 ALA C C 13 177.874 0.300 . 1 . . . . 26 ALA C . 10127 1 264 . 1 1 26 26 ALA CA C 13 53.502 0.300 . 1 . . . . 26 ALA CA . 10127 1 265 . 1 1 26 26 ALA CB C 13 21.450 0.300 . 1 . . . . 26 ALA CB . 10127 1 266 . 1 1 26 26 ALA N N 15 121.230 0.300 . 1 . . . . 26 ALA N . 10127 1 267 . 1 1 27 27 MET H H 1 8.559 0.030 . 1 . . . . 27 MET H . 10127 1 268 . 1 1 27 27 MET HA H 1 3.701 0.030 . 1 . . . . 27 MET HA . 10127 1 269 . 1 1 27 27 MET HB2 H 1 2.310 0.030 . 2 . . . . 27 MET HB2 . 10127 1 270 . 1 1 27 27 MET HB3 H 1 2.081 0.030 . 2 . . . . 27 MET HB3 . 10127 1 271 . 1 1 27 27 MET HG2 H 1 2.362 0.030 . 2 . . . . 27 MET HG2 . 10127 1 272 . 1 1 27 27 MET HG3 H 1 2.546 0.030 . 2 . . . . 27 MET HG3 . 10127 1 273 . 1 1 27 27 MET HE1 H 1 2.051 0.030 . 1 . . . . 27 MET HE . 10127 1 274 . 1 1 27 27 MET HE2 H 1 2.051 0.030 . 1 . . . . 27 MET HE . 10127 1 275 . 1 1 27 27 MET HE3 H 1 2.051 0.030 . 1 . . . . 27 MET HE . 10127 1 276 . 1 1 27 27 MET C C 13 177.034 0.300 . 1 . . . . 27 MET C . 10127 1 277 . 1 1 27 27 MET CA C 13 62.450 0.300 . 1 . . . . 27 MET CA . 10127 1 278 . 1 1 27 27 MET CB C 13 33.575 0.300 . 1 . . . . 27 MET CB . 10127 1 279 . 1 1 27 27 MET CG C 13 32.450 0.300 . 1 . . . . 27 MET CG . 10127 1 280 . 1 1 27 27 MET CE C 13 17.465 0.300 . 1 . . . . 27 MET CE . 10127 1 281 . 1 1 27 27 MET N N 15 118.562 0.300 . 1 . . . . 27 MET N . 10127 1 282 . 1 1 28 28 GLU H H 1 8.747 0.030 . 1 . . . . 28 GLU H . 10127 1 283 . 1 1 28 28 GLU HA H 1 4.109 0.030 . 1 . . . . 28 GLU HA . 10127 1 284 . 1 1 28 28 GLU HB2 H 1 1.974 0.030 . 2 . . . . 28 GLU HB2 . 10127 1 285 . 1 1 28 28 GLU HB3 H 1 2.022 0.030 . 2 . . . . 28 GLU HB3 . 10127 1 286 . 1 1 28 28 GLU HG2 H 1 2.342 0.030 . 2 . . . . 28 GLU HG2 . 10127 1 287 . 1 1 28 28 GLU HG3 H 1 2.227 0.030 . 2 . . . . 28 GLU HG3 . 10127 1 288 . 1 1 28 28 GLU C C 13 179.916 0.300 . 1 . . . . 28 GLU C . 10127 1 289 . 1 1 28 28 GLU CA C 13 59.825 0.300 . 1 . . . . 28 GLU CA . 10127 1 290 . 1 1 28 28 GLU CB C 13 29.155 0.300 . 1 . . . . 28 GLU CB . 10127 1 291 . 1 1 28 28 GLU CG C 13 36.854 0.300 . 1 . . . . 28 GLU CG . 10127 1 292 . 1 1 28 28 GLU N N 15 117.782 0.300 . 1 . . . . 28 GLU N . 10127 1 293 . 1 1 29 29 LYS H H 1 7.906 0.030 . 1 . . . . 29 LYS H . 10127 1 294 . 1 1 29 29 LYS HA H 1 4.071 0.030 . 1 . . . . 29 LYS HA . 10127 1 295 . 1 1 29 29 LYS HB2 H 1 1.798 0.030 . 1 . . . . 29 LYS HB2 . 10127 1 296 . 1 1 29 29 LYS HB3 H 1 1.798 0.030 . 1 . . . . 29 LYS HB3 . 10127 1 297 . 1 1 29 29 LYS HG2 H 1 1.465 0.030 . 2 . . . . 29 LYS HG2 . 10127 1 298 . 1 1 29 29 LYS HG3 H 1 1.675 0.030 . 2 . . . . 29 LYS HG3 . 10127 1 299 . 1 1 29 29 LYS HD2 H 1 1.735 0.030 . 1 . . . . 29 LYS HD2 . 10127 1 300 . 1 1 29 29 LYS HD3 H 1 1.735 0.030 . 1 . . . . 29 LYS HD3 . 10127 1 301 . 1 1 29 29 LYS HE2 H 1 3.031 0.030 . 1 . . . . 29 LYS HE2 . 10127 1 302 . 1 1 29 29 LYS HE3 H 1 3.031 0.030 . 1 . . . . 29 LYS HE3 . 10127 1 303 . 1 1 29 29 LYS C C 13 179.602 0.300 . 1 . . . . 29 LYS C . 10127 1 304 . 1 1 29 29 LYS CA C 13 59.450 0.300 . 1 . . . . 29 LYS CA . 10127 1 305 . 1 1 29 29 LYS CB C 13 33.176 0.300 . 1 . . . . 29 LYS CB . 10127 1 306 . 1 1 29 29 LYS CG C 13 26.070 0.300 . 1 . . . . 29 LYS CG . 10127 1 307 . 1 1 29 29 LYS CD C 13 30.152 0.300 . 1 . . . . 29 LYS CD . 10127 1 308 . 1 1 29 29 LYS CE C 13 42.203 0.300 . 1 . . . . 29 LYS CE . 10127 1 309 . 1 1 29 29 LYS N N 15 119.757 0.300 . 1 . . . . 29 LYS N . 10127 1 310 . 1 1 30 30 LEU H H 1 8.214 0.030 . 1 . . . . 30 LEU H . 10127 1 311 . 1 1 30 30 LEU HA H 1 3.860 0.030 . 1 . . . . 30 LEU HA . 10127 1 312 . 1 1 30 30 LEU HB2 H 1 2.035 0.030 . 2 . . . . 30 LEU HB2 . 10127 1 313 . 1 1 30 30 LEU HB3 H 1 1.129 0.030 . 2 . . . . 30 LEU HB3 . 10127 1 314 . 1 1 30 30 LEU HG H 1 1.826 0.030 . 1 . . . . 30 LEU HG . 10127 1 315 . 1 1 30 30 LEU HD11 H 1 0.881 0.030 . 1 . . . . 30 LEU HD1 . 10127 1 316 . 1 1 30 30 LEU HD12 H 1 0.881 0.030 . 1 . . . . 30 LEU HD1 . 10127 1 317 . 1 1 30 30 LEU HD13 H 1 0.881 0.030 . 1 . . . . 30 LEU HD1 . 10127 1 318 . 1 1 30 30 LEU HD21 H 1 0.496 0.030 . 1 . . . . 30 LEU HD2 . 10127 1 319 . 1 1 30 30 LEU HD22 H 1 0.496 0.030 . 1 . . . . 30 LEU HD2 . 10127 1 320 . 1 1 30 30 LEU HD23 H 1 0.496 0.030 . 1 . . . . 30 LEU HD2 . 10127 1 321 . 1 1 30 30 LEU C C 13 177.784 0.300 . 1 . . . . 30 LEU C . 10127 1 322 . 1 1 30 30 LEU CA C 13 57.450 0.300 . 1 . . . . 30 LEU CA . 10127 1 323 . 1 1 30 30 LEU CB C 13 42.325 0.300 . 1 . . . . 30 LEU CB . 10127 1 324 . 1 1 30 30 LEU CG C 13 26.950 0.300 . 1 . . . . 30 LEU CG . 10127 1 325 . 1 1 30 30 LEU CD1 C 13 23.561 0.300 . 2 . . . . 30 LEU CD1 . 10127 1 326 . 1 1 30 30 LEU CD2 C 13 25.616 0.300 . 2 . . . . 30 LEU CD2 . 10127 1 327 . 1 1 30 30 LEU N N 15 119.147 0.300 . 1 . . . . 30 LEU N . 10127 1 328 . 1 1 31 31 TYR H H 1 8.599 0.030 . 1 . . . . 31 TYR H . 10127 1 329 . 1 1 31 31 TYR HA H 1 3.816 0.030 . 1 . . . . 31 TYR HA . 10127 1 330 . 1 1 31 31 TYR HB2 H 1 2.941 0.030 . 2 . . . . 31 TYR HB2 . 10127 1 331 . 1 1 31 31 TYR HB3 H 1 3.048 0.030 . 2 . . . . 31 TYR HB3 . 10127 1 332 . 1 1 31 31 TYR HD1 H 1 6.863 0.030 . 1 . . . . 31 TYR HD1 . 10127 1 333 . 1 1 31 31 TYR HD2 H 1 6.863 0.030 . 1 . . . . 31 TYR HD2 . 10127 1 334 . 1 1 31 31 TYR HE1 H 1 6.654 0.030 . 1 . . . . 31 TYR HE1 . 10127 1 335 . 1 1 31 31 TYR HE2 H 1 6.654 0.030 . 1 . . . . 31 TYR HE2 . 10127 1 336 . 1 1 31 31 TYR C C 13 178.599 0.300 . 1 . . . . 31 TYR C . 10127 1 337 . 1 1 31 31 TYR CA C 13 62.950 0.300 . 1 . . . . 31 TYR CA . 10127 1 338 . 1 1 31 31 TYR CB C 13 38.325 0.300 . 1 . . . . 31 TYR CB . 10127 1 339 . 1 1 31 31 TYR CD1 C 13 132.950 0.300 . 1 . . . . 31 TYR CD1 . 10127 1 340 . 1 1 31 31 TYR CD2 C 13 132.950 0.300 . 1 . . . . 31 TYR CD2 . 10127 1 341 . 1 1 31 31 TYR CE1 C 13 118.200 0.300 . 1 . . . . 31 TYR CE1 . 10127 1 342 . 1 1 31 31 TYR CE2 C 13 118.200 0.300 . 1 . . . . 31 TYR CE2 . 10127 1 343 . 1 1 31 31 TYR N N 15 119.714 0.300 . 1 . . . . 31 TYR N . 10127 1 344 . 1 1 32 32 ALA H H 1 7.715 0.030 . 1 . . . . 32 ALA H . 10127 1 345 . 1 1 32 32 ALA HA H 1 4.028 0.030 . 1 . . . . 32 ALA HA . 10127 1 346 . 1 1 32 32 ALA HB1 H 1 1.525 0.030 . 1 . . . . 32 ALA HB . 10127 1 347 . 1 1 32 32 ALA HB2 H 1 1.525 0.030 . 1 . . . . 32 ALA HB . 10127 1 348 . 1 1 32 32 ALA HB3 H 1 1.525 0.030 . 1 . . . . 32 ALA HB . 10127 1 349 . 1 1 32 32 ALA C C 13 179.396 0.300 . 1 . . . . 32 ALA C . 10127 1 350 . 1 1 32 32 ALA CA C 13 55.034 0.300 . 1 . . . . 32 ALA CA . 10127 1 351 . 1 1 32 32 ALA CB C 13 18.069 0.300 . 1 . . . . 32 ALA CB . 10127 1 352 . 1 1 32 32 ALA N N 15 120.304 0.300 . 1 . . . . 32 ALA N . 10127 1 353 . 1 1 33 33 VAL H H 1 7.515 0.030 . 1 . . . . 33 VAL H . 10127 1 354 . 1 1 33 33 VAL HA H 1 3.926 0.030 . 1 . . . . 33 VAL HA . 10127 1 355 . 1 1 33 33 VAL HB H 1 1.995 0.030 . 1 . . . . 33 VAL HB . 10127 1 356 . 1 1 33 33 VAL HG11 H 1 0.830 0.030 . 1 . . . . 33 VAL HG1 . 10127 1 357 . 1 1 33 33 VAL HG12 H 1 0.830 0.030 . 1 . . . . 33 VAL HG1 . 10127 1 358 . 1 1 33 33 VAL HG13 H 1 0.830 0.030 . 1 . . . . 33 VAL HG1 . 10127 1 359 . 1 1 33 33 VAL HG21 H 1 1.010 0.030 . 1 . . . . 33 VAL HG2 . 10127 1 360 . 1 1 33 33 VAL HG22 H 1 1.010 0.030 . 1 . . . . 33 VAL HG2 . 10127 1 361 . 1 1 33 33 VAL HG23 H 1 1.010 0.030 . 1 . . . . 33 VAL HG2 . 10127 1 362 . 1 1 33 33 VAL C C 13 178.245 0.300 . 1 . . . . 33 VAL C . 10127 1 363 . 1 1 33 33 VAL CA C 13 65.832 0.300 . 1 . . . . 33 VAL CA . 10127 1 364 . 1 1 33 33 VAL CB C 13 31.825 0.300 . 1 . . . . 33 VAL CB . 10127 1 365 . 1 1 33 33 VAL CG1 C 13 23.079 0.300 . 2 . . . . 33 VAL CG1 . 10127 1 366 . 1 1 33 33 VAL CG2 C 13 23.555 0.300 . 2 . . . . 33 VAL CG2 . 10127 1 367 . 1 1 33 33 VAL N N 15 116.353 0.300 . 1 . . . . 33 VAL N . 10127 1 368 . 1 1 34 34 PHE H H 1 8.193 0.030 . 1 . . . . 34 PHE H . 10127 1 369 . 1 1 34 34 PHE HA H 1 4.245 0.030 . 1 . . . . 34 PHE HA . 10127 1 370 . 1 1 34 34 PHE HB2 H 1 2.824 0.030 . 2 . . . . 34 PHE HB2 . 10127 1 371 . 1 1 34 34 PHE HB3 H 1 3.142 0.030 . 2 . . . . 34 PHE HB3 . 10127 1 372 . 1 1 34 34 PHE HD1 H 1 7.067 0.030 . 1 . . . . 34 PHE HD1 . 10127 1 373 . 1 1 34 34 PHE HD2 H 1 7.067 0.030 . 1 . . . . 34 PHE HD2 . 10127 1 374 . 1 1 34 34 PHE HZ H 1 7.055 0.030 . 1 . . . . 34 PHE HZ . 10127 1 375 . 1 1 34 34 PHE C C 13 177.053 0.300 . 1 . . . . 34 PHE C . 10127 1 376 . 1 1 34 34 PHE CA C 13 62.065 0.300 . 1 . . . . 34 PHE CA . 10127 1 377 . 1 1 34 34 PHE CB C 13 38.825 0.300 . 1 . . . . 34 PHE CB . 10127 1 378 . 1 1 34 34 PHE CD1 C 13 130.700 0.300 . 1 . . . . 34 PHE CD1 . 10127 1 379 . 1 1 34 34 PHE CD2 C 13 130.700 0.300 . 1 . . . . 34 PHE CD2 . 10127 1 380 . 1 1 34 34 PHE N N 15 117.243 0.300 . 1 . . . . 34 PHE N . 10127 1 381 . 1 1 35 35 THR H H 1 7.510 0.030 . 1 . . . . 35 THR H . 10127 1 382 . 1 1 35 35 THR HA H 1 4.150 0.030 . 1 . . . . 35 THR HA . 10127 1 383 . 1 1 35 35 THR HB H 1 4.219 0.030 . 1 . . . . 35 THR HB . 10127 1 384 . 1 1 35 35 THR HG21 H 1 1.024 0.030 . 1 . . . . 35 THR HG2 . 10127 1 385 . 1 1 35 35 THR HG22 H 1 1.024 0.030 . 1 . . . . 35 THR HG2 . 10127 1 386 . 1 1 35 35 THR HG23 H 1 1.024 0.030 . 1 . . . . 35 THR HG2 . 10127 1 387 . 1 1 35 35 THR CA C 13 63.575 0.300 . 1 . . . . 35 THR CA . 10127 1 388 . 1 1 35 35 THR CB C 13 69.325 0.300 . 1 . . . . 35 THR CB . 10127 1 389 . 1 1 35 35 THR CG2 C 13 21.444 0.300 . 1 . . . . 35 THR CG2 . 10127 1 390 . 1 1 36 36 ASP HA H 1 4.177 0.030 . 1 . . . . 36 ASP HA . 10127 1 391 . 1 1 36 36 ASP HB2 H 1 2.458 0.030 . 1 . . . . 36 ASP HB2 . 10127 1 392 . 1 1 36 36 ASP HB3 H 1 2.458 0.030 . 1 . . . . 36 ASP HB3 . 10127 1 393 . 1 1 37 37 TYR H H 1 7.807 0.030 . 1 . . . . 37 TYR H . 10127 1 394 . 1 1 37 37 TYR HA H 1 3.919 0.030 . 1 . . . . 37 TYR HA . 10127 1 395 . 1 1 37 37 TYR HB2 H 1 2.688 0.030 . 2 . . . . 37 TYR HB2 . 10127 1 396 . 1 1 37 37 TYR HB3 H 1 3.387 0.030 . 2 . . . . 37 TYR HB3 . 10127 1 397 . 1 1 37 37 TYR HD1 H 1 7.112 0.030 . 1 . . . . 37 TYR HD1 . 10127 1 398 . 1 1 37 37 TYR HD2 H 1 7.112 0.030 . 1 . . . . 37 TYR HD2 . 10127 1 399 . 1 1 37 37 TYR HE1 H 1 6.804 0.030 . 1 . . . . 37 TYR HE1 . 10127 1 400 . 1 1 37 37 TYR HE2 H 1 6.804 0.030 . 1 . . . . 37 TYR HE2 . 10127 1 401 . 1 1 37 37 TYR CB C 13 38.283 0.300 . 1 . . . . 37 TYR CB . 10127 1 402 . 1 1 37 37 TYR CD1 C 13 132.950 0.300 . 1 . . . . 37 TYR CD1 . 10127 1 403 . 1 1 37 37 TYR CD2 C 13 132.950 0.300 . 1 . . . . 37 TYR CD2 . 10127 1 404 . 1 1 37 37 TYR CE1 C 13 118.200 0.300 . 1 . . . . 37 TYR CE1 . 10127 1 405 . 1 1 37 37 TYR CE2 C 13 118.200 0.300 . 1 . . . . 37 TYR CE2 . 10127 1 406 . 1 1 38 38 GLU H H 1 8.031 0.030 . 1 . . . . 38 GLU H . 10127 1 407 . 1 1 38 38 GLU HA H 1 4.290 0.030 . 1 . . . . 38 GLU HA . 10127 1 408 . 1 1 38 38 GLU HB2 H 1 1.778 0.030 . 2 . . . . 38 GLU HB2 . 10127 1 409 . 1 1 38 38 GLU HB3 H 1 1.879 0.030 . 2 . . . . 38 GLU HB3 . 10127 1 410 . 1 1 38 38 GLU HG2 H 1 2.231 0.030 . 2 . . . . 38 GLU HG2 . 10127 1 411 . 1 1 38 38 GLU HG3 H 1 2.115 0.030 . 2 . . . . 38 GLU HG3 . 10127 1 412 . 1 1 38 38 GLU C C 13 178.998 0.300 . 1 . . . . 38 GLU C . 10127 1 413 . 1 1 38 38 GLU CA C 13 58.325 0.300 . 1 . . . . 38 GLU CA . 10127 1 414 . 1 1 38 38 GLU CB C 13 29.075 0.300 . 1 . . . . 38 GLU CB . 10127 1 415 . 1 1 38 38 GLU CG C 13 35.200 0.300 . 1 . . . . 38 GLU CG . 10127 1 416 . 1 1 39 39 HIS H H 1 7.902 0.030 . 1 . . . . 39 HIS H . 10127 1 417 . 1 1 39 39 HIS HA H 1 4.030 0.030 . 1 . . . . 39 HIS HA . 10127 1 418 . 1 1 39 39 HIS HB2 H 1 3.750 0.030 . 2 . . . . 39 HIS HB2 . 10127 1 419 . 1 1 39 39 HIS HB3 H 1 3.802 0.030 . 2 . . . . 39 HIS HB3 . 10127 1 420 . 1 1 39 39 HIS HD2 H 1 7.129 0.030 . 1 . . . . 39 HIS HD2 . 10127 1 421 . 1 1 39 39 HIS HE1 H 1 7.812 0.030 . 1 . . . . 39 HIS HE1 . 10127 1 422 . 1 1 39 39 HIS C C 13 178.983 0.300 . 1 . . . . 39 HIS C . 10127 1 423 . 1 1 39 39 HIS CA C 13 63.064 0.300 . 1 . . . . 39 HIS CA . 10127 1 424 . 1 1 39 39 HIS CB C 13 31.200 0.300 . 1 . . . . 39 HIS CB . 10127 1 425 . 1 1 39 39 HIS CD2 C 13 119.091 0.300 . 1 . . . . 39 HIS CD2 . 10127 1 426 . 1 1 39 39 HIS CE1 C 13 138.450 0.300 . 1 . . . . 39 HIS CE1 . 10127 1 427 . 1 1 39 39 HIS N N 15 114.934 0.300 . 1 . . . . 39 HIS N . 10127 1 428 . 1 1 40 40 ASP H H 1 7.812 0.030 . 1 . . . . 40 ASP H . 10127 1 429 . 1 1 41 41 LYS H H 1 8.507 0.030 . 1 . . . . 41 LYS H . 10127 1 430 . 1 1 41 41 LYS HA H 1 3.796 0.030 . 1 . . . . 41 LYS HA . 10127 1 431 . 1 1 41 41 LYS HB2 H 1 1.853 0.030 . 2 . . . . 41 LYS HB2 . 10127 1 432 . 1 1 41 41 LYS HB3 H 1 1.787 0.030 . 2 . . . . 41 LYS HB3 . 10127 1 433 . 1 1 41 41 LYS HG2 H 1 1.428 0.030 . 2 . . . . 41 LYS HG2 . 10127 1 434 . 1 1 41 41 LYS HG3 H 1 1.386 0.030 . 2 . . . . 41 LYS HG3 . 10127 1 435 . 1 1 41 41 LYS HD2 H 1 1.687 0.030 . 2 . . . . 41 LYS HD2 . 10127 1 436 . 1 1 41 41 LYS HD3 H 1 1.618 0.030 . 2 . . . . 41 LYS HD3 . 10127 1 437 . 1 1 41 41 LYS HE2 H 1 2.981 0.030 . 1 . . . . 41 LYS HE2 . 10127 1 438 . 1 1 41 41 LYS HE3 H 1 2.981 0.030 . 1 . . . . 41 LYS HE3 . 10127 1 439 . 1 1 41 41 LYS C C 13 177.420 0.300 . 1 . . . . 41 LYS C . 10127 1 440 . 1 1 41 41 LYS CA C 13 60.045 0.300 . 1 . . . . 41 LYS CA . 10127 1 441 . 1 1 41 41 LYS CB C 13 32.828 0.300 . 1 . . . . 41 LYS CB . 10127 1 442 . 1 1 41 41 LYS CG C 13 25.075 0.300 . 1 . . . . 41 LYS CG . 10127 1 443 . 1 1 41 41 LYS CD C 13 29.075 0.300 . 1 . . . . 41 LYS CD . 10127 1 444 . 1 1 41 41 LYS CE C 13 42.406 0.300 . 1 . . . . 41 LYS CE . 10127 1 445 . 1 1 42 42 VAL H H 1 7.733 0.030 . 1 . . . . 42 VAL H . 10127 1 446 . 1 1 42 42 VAL HA H 1 3.749 0.030 . 1 . . . . 42 VAL HA . 10127 1 447 . 1 1 42 42 VAL HB H 1 2.080 0.030 . 1 . . . . 42 VAL HB . 10127 1 448 . 1 1 42 42 VAL HG11 H 1 0.901 0.030 . 1 . . . . 42 VAL HG1 . 10127 1 449 . 1 1 42 42 VAL HG12 H 1 0.901 0.030 . 1 . . . . 42 VAL HG1 . 10127 1 450 . 1 1 42 42 VAL HG13 H 1 0.901 0.030 . 1 . . . . 42 VAL HG1 . 10127 1 451 . 1 1 42 42 VAL HG21 H 1 1.018 0.030 . 1 . . . . 42 VAL HG2 . 10127 1 452 . 1 1 42 42 VAL HG22 H 1 1.018 0.030 . 1 . . . . 42 VAL HG2 . 10127 1 453 . 1 1 42 42 VAL HG23 H 1 1.018 0.030 . 1 . . . . 42 VAL HG2 . 10127 1 454 . 1 1 42 42 VAL C C 13 179.301 0.300 . 1 . . . . 42 VAL C . 10127 1 455 . 1 1 42 42 VAL CA C 13 66.040 0.300 . 1 . . . . 42 VAL CA . 10127 1 456 . 1 1 42 42 VAL CB C 13 31.575 0.300 . 1 . . . . 42 VAL CB . 10127 1 457 . 1 1 42 42 VAL CG1 C 13 20.911 0.300 . 2 . . . . 42 VAL CG1 . 10127 1 458 . 1 1 42 42 VAL CG2 C 13 22.510 0.300 . 2 . . . . 42 VAL CG2 . 10127 1 459 . 1 1 42 42 VAL N N 15 117.853 0.300 . 1 . . . . 42 VAL N . 10127 1 460 . 1 1 43 43 SER H H 1 8.552 0.030 . 1 . . . . 43 SER H . 10127 1 461 . 1 1 43 43 SER N N 15 123.165 0.300 . 1 . . . . 43 SER N . 10127 1 462 . 1 1 44 44 ARG HA H 1 3.395 0.030 . 1 . . . . 44 ARG HA . 10127 1 463 . 1 1 44 44 ARG HB2 H 1 1.944 0.030 . 1 . . . . 44 ARG HB2 . 10127 1 464 . 1 1 44 44 ARG HB3 H 1 1.944 0.030 . 1 . . . . 44 ARG HB3 . 10127 1 465 . 1 1 44 44 ARG HD2 H 1 3.396 0.030 . 1 . . . . 44 ARG HD2 . 10127 1 466 . 1 1 44 44 ARG HD3 H 1 3.396 0.030 . 1 . . . . 44 ARG HD3 . 10127 1 467 . 1 1 44 44 ARG CB C 13 30.000 0.300 . 1 . . . . 44 ARG CB . 10127 1 468 . 1 1 45 45 ASP H H 1 8.461 0.030 . 1 . . . . 45 ASP H . 10127 1 469 . 1 1 45 45 ASP HA H 1 4.253 0.030 . 1 . . . . 45 ASP HA . 10127 1 470 . 1 1 45 45 ASP HB2 H 1 2.560 0.030 . 2 . . . . 45 ASP HB2 . 10127 1 471 . 1 1 45 45 ASP HB3 H 1 2.777 0.030 . 2 . . . . 45 ASP HB3 . 10127 1 472 . 1 1 45 45 ASP C C 13 179.590 0.300 . 1 . . . . 45 ASP C . 10127 1 473 . 1 1 45 45 ASP CA C 13 57.450 0.300 . 1 . . . . 45 ASP CA . 10127 1 474 . 1 1 45 45 ASP CB C 13 39.575 0.300 . 1 . . . . 45 ASP CB . 10127 1 475 . 1 1 45 45 ASP N N 15 119.090 0.300 . 1 . . . . 45 ASP N . 10127 1 476 . 1 1 46 46 GLU H H 1 7.801 0.030 . 1 . . . . 46 GLU H . 10127 1 477 . 1 1 46 46 GLU HA H 1 4.044 0.030 . 1 . . . . 46 GLU HA . 10127 1 478 . 1 1 46 46 GLU HB2 H 1 2.045 0.030 . 1 . . . . 46 GLU HB2 . 10127 1 479 . 1 1 46 46 GLU HB3 H 1 2.045 0.030 . 1 . . . . 46 GLU HB3 . 10127 1 480 . 1 1 46 46 GLU HG2 H 1 2.347 0.030 . 2 . . . . 46 GLU HG2 . 10127 1 481 . 1 1 46 46 GLU HG3 H 1 2.202 0.030 . 2 . . . . 46 GLU HG3 . 10127 1 482 . 1 1 46 46 GLU C C 13 178.815 0.300 . 1 . . . . 46 GLU C . 10127 1 483 . 1 1 46 46 GLU CA C 13 59.200 0.300 . 1 . . . . 46 GLU CA . 10127 1 484 . 1 1 46 46 GLU CB C 13 29.615 0.300 . 1 . . . . 46 GLU CB . 10127 1 485 . 1 1 46 46 GLU CG C 13 36.200 0.300 . 1 . . . . 46 GLU CG . 10127 1 486 . 1 1 46 46 GLU N N 15 120.366 0.300 . 1 . . . . 46 GLU N . 10127 1 487 . 1 1 47 47 ALA H H 1 7.929 0.030 . 1 . . . . 47 ALA H . 10127 1 488 . 1 1 47 47 ALA HA H 1 4.141 0.030 . 1 . . . . 47 ALA HA . 10127 1 489 . 1 1 47 47 ALA HB1 H 1 1.442 0.030 . 1 . . . . 47 ALA HB . 10127 1 490 . 1 1 47 47 ALA HB2 H 1 1.442 0.030 . 1 . . . . 47 ALA HB . 10127 1 491 . 1 1 47 47 ALA HB3 H 1 1.442 0.030 . 1 . . . . 47 ALA HB . 10127 1 492 . 1 1 47 47 ALA C C 13 181.385 0.300 . 1 . . . . 47 ALA C . 10127 1 493 . 1 1 47 47 ALA CA C 13 55.147 0.300 . 1 . . . . 47 ALA CA . 10127 1 494 . 1 1 47 47 ALA CB C 13 18.575 0.300 . 1 . . . . 47 ALA CB . 10127 1 495 . 1 1 47 47 ALA N N 15 123.322 0.300 . 1 . . . . 47 ALA N . 10127 1 496 . 1 1 48 48 VAL H H 1 8.709 0.030 . 1 . . . . 48 VAL H . 10127 1 497 . 1 1 48 48 VAL HA H 1 3.471 0.030 . 1 . . . . 48 VAL HA . 10127 1 498 . 1 1 48 48 VAL HB H 1 2.183 0.030 . 1 . . . . 48 VAL HB . 10127 1 499 . 1 1 48 48 VAL HG11 H 1 1.058 0.030 . 1 . . . . 48 VAL HG1 . 10127 1 500 . 1 1 48 48 VAL HG12 H 1 1.058 0.030 . 1 . . . . 48 VAL HG1 . 10127 1 501 . 1 1 48 48 VAL HG13 H 1 1.058 0.030 . 1 . . . . 48 VAL HG1 . 10127 1 502 . 1 1 48 48 VAL HG21 H 1 0.984 0.030 . 1 . . . . 48 VAL HG2 . 10127 1 503 . 1 1 48 48 VAL HG22 H 1 0.984 0.030 . 1 . . . . 48 VAL HG2 . 10127 1 504 . 1 1 48 48 VAL HG23 H 1 0.984 0.030 . 1 . . . . 48 VAL HG2 . 10127 1 505 . 1 1 48 48 VAL C C 13 177.548 0.300 . 1 . . . . 48 VAL C . 10127 1 506 . 1 1 48 48 VAL CA C 13 67.325 0.300 . 1 . . . . 48 VAL CA . 10127 1 507 . 1 1 48 48 VAL CB C 13 31.605 0.300 . 1 . . . . 48 VAL CB . 10127 1 508 . 1 1 48 48 VAL CG1 C 13 21.200 0.300 . 2 . . . . 48 VAL CG1 . 10127 1 509 . 1 1 48 48 VAL CG2 C 13 24.450 0.300 . 2 . . . . 48 VAL CG2 . 10127 1 510 . 1 1 48 48 VAL N N 15 119.836 0.300 . 1 . . . . 48 VAL N . 10127 1 511 . 1 1 49 49 ASN H H 1 8.041 0.030 . 1 . . . . 49 ASN H . 10127 1 512 . 1 1 49 49 ASN HA H 1 4.351 0.030 . 1 . . . . 49 ASN HA . 10127 1 513 . 1 1 49 49 ASN HB2 H 1 2.807 0.030 . 1 . . . . 49 ASN HB2 . 10127 1 514 . 1 1 49 49 ASN HB3 H 1 2.807 0.030 . 1 . . . . 49 ASN HB3 . 10127 1 515 . 1 1 49 49 ASN HD21 H 1 6.900 0.030 . 2 . . . . 49 ASN HD21 . 10127 1 516 . 1 1 49 49 ASN HD22 H 1 7.661 0.030 . 2 . . . . 49 ASN HD22 . 10127 1 517 . 1 1 49 49 ASN C C 13 177.113 0.300 . 1 . . . . 49 ASN C . 10127 1 518 . 1 1 49 49 ASN CA C 13 56.450 0.300 . 1 . . . . 49 ASN CA . 10127 1 519 . 1 1 49 49 ASN CB C 13 38.279 0.300 . 1 . . . . 49 ASN CB . 10127 1 520 . 1 1 49 49 ASN N N 15 118.309 0.300 . 1 . . . . 49 ASN N . 10127 1 521 . 1 1 49 49 ASN ND2 N 15 114.212 0.300 . 1 . . . . 49 ASN ND2 . 10127 1 522 . 1 1 50 50 LYS H H 1 7.753 0.030 . 1 . . . . 50 LYS H . 10127 1 523 . 1 1 50 50 LYS HA H 1 4.008 0.030 . 1 . . . . 50 LYS HA . 10127 1 524 . 1 1 50 50 LYS HB2 H 1 1.942 0.030 . 2 . . . . 50 LYS HB2 . 10127 1 525 . 1 1 50 50 LYS HB3 H 1 1.981 0.030 . 2 . . . . 50 LYS HB3 . 10127 1 526 . 1 1 50 50 LYS HG2 H 1 1.543 0.030 . 2 . . . . 50 LYS HG2 . 10127 1 527 . 1 1 50 50 LYS HG3 H 1 1.430 0.030 . 2 . . . . 50 LYS HG3 . 10127 1 528 . 1 1 50 50 LYS HD2 H 1 1.725 0.030 . 2 . . . . 50 LYS HD2 . 10127 1 529 . 1 1 50 50 LYS HD3 H 1 1.642 0.030 . 2 . . . . 50 LYS HD3 . 10127 1 530 . 1 1 50 50 LYS HE2 H 1 2.970 0.030 . 1 . . . . 50 LYS HE2 . 10127 1 531 . 1 1 50 50 LYS HE3 H 1 2.970 0.030 . 1 . . . . 50 LYS HE3 . 10127 1 532 . 1 1 50 50 LYS C C 13 178.690 0.300 . 1 . . . . 50 LYS C . 10127 1 533 . 1 1 50 50 LYS CA C 13 59.766 0.300 . 1 . . . . 50 LYS CA . 10127 1 534 . 1 1 50 50 LYS CB C 13 32.248 0.300 . 1 . . . . 50 LYS CB . 10127 1 535 . 1 1 50 50 LYS CG C 13 25.325 0.300 . 1 . . . . 50 LYS CG . 10127 1 536 . 1 1 50 50 LYS CD C 13 28.825 0.300 . 1 . . . . 50 LYS CD . 10127 1 537 . 1 1 50 50 LYS CE C 13 42.283 0.300 . 1 . . . . 50 LYS CE . 10127 1 538 . 1 1 50 50 LYS N N 15 119.681 0.300 . 1 . . . . 50 LYS N . 10127 1 539 . 1 1 51 51 ILE H H 1 7.641 0.030 . 1 . . . . 51 ILE H . 10127 1 540 . 1 1 51 51 ILE HA H 1 3.931 0.030 . 1 . . . . 51 ILE HA . 10127 1 541 . 1 1 51 51 ILE HB H 1 2.006 0.030 . 1 . . . . 51 ILE HB . 10127 1 542 . 1 1 51 51 ILE HG12 H 1 1.059 0.030 . 2 . . . . 51 ILE HG12 . 10127 1 543 . 1 1 51 51 ILE HG13 H 1 1.894 0.030 . 2 . . . . 51 ILE HG13 . 10127 1 544 . 1 1 51 51 ILE HG21 H 1 1.083 0.030 . 1 . . . . 51 ILE HG2 . 10127 1 545 . 1 1 51 51 ILE HG22 H 1 1.083 0.030 . 1 . . . . 51 ILE HG2 . 10127 1 546 . 1 1 51 51 ILE HG23 H 1 1.083 0.030 . 1 . . . . 51 ILE HG2 . 10127 1 547 . 1 1 51 51 ILE HD11 H 1 0.791 0.030 . 1 . . . . 51 ILE HD1 . 10127 1 548 . 1 1 51 51 ILE HD12 H 1 0.791 0.030 . 1 . . . . 51 ILE HD1 . 10127 1 549 . 1 1 51 51 ILE HD13 H 1 0.791 0.030 . 1 . . . . 51 ILE HD1 . 10127 1 550 . 1 1 51 51 ILE C C 13 179.694 0.300 . 1 . . . . 51 ILE C . 10127 1 551 . 1 1 51 51 ILE CA C 13 64.677 0.300 . 1 . . . . 51 ILE CA . 10127 1 552 . 1 1 51 51 ILE CB C 13 38.575 0.300 . 1 . . . . 51 ILE CB . 10127 1 553 . 1 1 51 51 ILE CG1 C 13 29.315 0.300 . 1 . . . . 51 ILE CG1 . 10127 1 554 . 1 1 51 51 ILE CG2 C 13 17.825 0.300 . 1 . . . . 51 ILE CG2 . 10127 1 555 . 1 1 51 51 ILE CD1 C 13 15.375 0.300 . 1 . . . . 51 ILE CD1 . 10127 1 556 . 1 1 51 51 ILE N N 15 119.605 0.300 . 1 . . . . 51 ILE N . 10127 1 557 . 1 1 52 52 ARG H H 1 8.986 0.030 . 1 . . . . 52 ARG H . 10127 1 558 . 1 1 52 52 ARG HA H 1 2.568 0.030 . 1 . . . . 52 ARG HA . 10127 1 559 . 1 1 52 52 ARG HB2 H 1 1.163 0.030 . 2 . . . . 52 ARG HB2 . 10127 1 560 . 1 1 52 52 ARG HB3 H 1 1.760 0.030 . 2 . . . . 52 ARG HB3 . 10127 1 561 . 1 1 52 52 ARG HG2 H 1 0.890 0.030 . 2 . . . . 52 ARG HG2 . 10127 1 562 . 1 1 52 52 ARG HG3 H 1 0.516 0.030 . 2 . . . . 52 ARG HG3 . 10127 1 563 . 1 1 52 52 ARG HD2 H 1 2.944 0.030 . 2 . . . . 52 ARG HD2 . 10127 1 564 . 1 1 52 52 ARG HD3 H 1 3.016 0.030 . 2 . . . . 52 ARG HD3 . 10127 1 565 . 1 1 52 52 ARG HE H 1 7.154 0.030 . 1 . . . . 52 ARG HE . 10127 1 566 . 1 1 52 52 ARG C C 13 177.569 0.300 . 1 . . . . 52 ARG C . 10127 1 567 . 1 1 52 52 ARG CA C 13 60.450 0.300 . 1 . . . . 52 ARG CA . 10127 1 568 . 1 1 52 52 ARG CB C 13 29.575 0.300 . 1 . . . . 52 ARG CB . 10127 1 569 . 1 1 52 52 ARG CG C 13 27.038 0.300 . 1 . . . . 52 ARG CG . 10127 1 570 . 1 1 52 52 ARG CD C 13 43.450 0.300 . 1 . . . . 52 ARG CD . 10127 1 571 . 1 1 52 52 ARG N N 15 125.774 0.300 . 1 . . . . 52 ARG N . 10127 1 572 . 1 1 53 53 LEU H H 1 7.991 0.030 . 1 . . . . 53 LEU H . 10127 1 573 . 1 1 53 53 LEU HA H 1 3.909 0.030 . 1 . . . . 53 LEU HA . 10127 1 574 . 1 1 53 53 LEU HB2 H 1 1.552 0.030 . 2 . . . . 53 LEU HB2 . 10127 1 575 . 1 1 53 53 LEU HB3 H 1 1.746 0.030 . 2 . . . . 53 LEU HB3 . 10127 1 576 . 1 1 53 53 LEU HG H 1 1.669 0.030 . 1 . . . . 53 LEU HG . 10127 1 577 . 1 1 53 53 LEU HD11 H 1 0.812 0.030 . 1 . . . . 53 LEU HD1 . 10127 1 578 . 1 1 53 53 LEU HD12 H 1 0.812 0.030 . 1 . . . . 53 LEU HD1 . 10127 1 579 . 1 1 53 53 LEU HD13 H 1 0.812 0.030 . 1 . . . . 53 LEU HD1 . 10127 1 580 . 1 1 53 53 LEU HD21 H 1 0.790 0.030 . 1 . . . . 53 LEU HD2 . 10127 1 581 . 1 1 53 53 LEU HD22 H 1 0.790 0.030 . 1 . . . . 53 LEU HD2 . 10127 1 582 . 1 1 53 53 LEU HD23 H 1 0.790 0.030 . 1 . . . . 53 LEU HD2 . 10127 1 583 . 1 1 53 53 LEU C C 13 179.911 0.300 . 1 . . . . 53 LEU C . 10127 1 584 . 1 1 53 53 LEU CA C 13 58.209 0.300 . 1 . . . . 53 LEU CA . 10127 1 585 . 1 1 53 53 LEU CB C 13 41.597 0.300 . 1 . . . . 53 LEU CB . 10127 1 586 . 1 1 53 53 LEU CG C 13 26.996 0.300 . 1 . . . . 53 LEU CG . 10127 1 587 . 1 1 53 53 LEU CD1 C 13 25.073 0.300 . 2 . . . . 53 LEU CD1 . 10127 1 588 . 1 1 53 53 LEU CD2 C 13 23.389 0.300 . 2 . . . . 53 LEU CD2 . 10127 1 589 . 1 1 53 53 LEU N N 15 120.061 0.300 . 1 . . . . 53 LEU N . 10127 1 590 . 1 1 54 54 ASP H H 1 8.008 0.030 . 1 . . . . 54 ASP H . 10127 1 591 . 1 1 54 54 ASP HA H 1 4.330 0.030 . 1 . . . . 54 ASP HA . 10127 1 592 . 1 1 54 54 ASP HB2 H 1 2.654 0.030 . 2 . . . . 54 ASP HB2 . 10127 1 593 . 1 1 54 54 ASP HB3 H 1 2.756 0.030 . 2 . . . . 54 ASP HB3 . 10127 1 594 . 1 1 54 54 ASP CA C 13 57.269 0.300 . 1 . . . . 54 ASP CA . 10127 1 595 . 1 1 54 54 ASP CB C 13 40.950 0.300 . 1 . . . . 54 ASP CB . 10127 1 596 . 1 1 54 54 ASP N N 15 118.995 0.300 . 1 . . . . 54 ASP N . 10127 1 597 . 1 1 55 55 THR H H 1 8.538 0.030 . 1 . . . . 55 THR H . 10127 1 598 . 1 1 55 55 THR HA H 1 4.249 0.030 . 1 . . . . 55 THR HA . 10127 1 599 . 1 1 55 55 THR HB H 1 3.904 0.030 . 1 . . . . 55 THR HB . 10127 1 600 . 1 1 55 55 THR HG21 H 1 1.420 0.030 . 1 . . . . 55 THR HG2 . 10127 1 601 . 1 1 55 55 THR HG22 H 1 1.420 0.030 . 1 . . . . 55 THR HG2 . 10127 1 602 . 1 1 55 55 THR HG23 H 1 1.420 0.030 . 1 . . . . 55 THR HG2 . 10127 1 603 . 1 1 55 55 THR C C 13 175.856 0.300 . 1 . . . . 55 THR C . 10127 1 604 . 1 1 55 55 THR CA C 13 68.216 0.300 . 1 . . . . 55 THR CA . 10127 1 605 . 1 1 55 55 THR CB C 13 67.700 0.300 . 1 . . . . 55 THR CB . 10127 1 606 . 1 1 55 55 THR CG2 C 13 21.950 0.300 . 1 . . . . 55 THR CG2 . 10127 1 607 . 1 1 55 55 THR N N 15 117.659 0.300 . 1 . . . . 55 THR N . 10127 1 608 . 1 1 56 56 GLU H H 1 8.887 0.030 . 1 . . . . 56 GLU H . 10127 1 609 . 1 1 56 56 GLU HA H 1 3.739 0.030 . 1 . . . . 56 GLU HA . 10127 1 610 . 1 1 56 56 GLU HB2 H 1 2.064 0.030 . 2 . . . . 56 GLU HB2 . 10127 1 611 . 1 1 56 56 GLU HB3 H 1 1.968 0.030 . 2 . . . . 56 GLU HB3 . 10127 1 612 . 1 1 56 56 GLU HG2 H 1 2.335 0.030 . 2 . . . . 56 GLU HG2 . 10127 1 613 . 1 1 56 56 GLU HG3 H 1 1.908 0.030 . 2 . . . . 56 GLU HG3 . 10127 1 614 . 1 1 56 56 GLU C C 13 178.460 0.300 . 1 . . . . 56 GLU C . 10127 1 615 . 1 1 56 56 GLU CA C 13 60.825 0.300 . 1 . . . . 56 GLU CA . 10127 1 616 . 1 1 56 56 GLU CB C 13 29.614 0.300 . 1 . . . . 56 GLU CB . 10127 1 617 . 1 1 56 56 GLU CG C 13 36.896 0.300 . 1 . . . . 56 GLU CG . 10127 1 618 . 1 1 56 56 GLU N N 15 122.157 0.300 . 1 . . . . 56 GLU N . 10127 1 619 . 1 1 57 57 GLU H H 1 7.749 0.030 . 1 . . . . 57 GLU H . 10127 1 620 . 1 1 57 57 GLU HA H 1 3.951 0.030 . 1 . . . . 57 GLU HA . 10127 1 621 . 1 1 57 57 GLU HB2 H 1 2.074 0.030 . 1 . . . . 57 GLU HB2 . 10127 1 622 . 1 1 57 57 GLU HB3 H 1 2.074 0.030 . 1 . . . . 57 GLU HB3 . 10127 1 623 . 1 1 57 57 GLU HG2 H 1 2.336 0.030 . 2 . . . . 57 GLU HG2 . 10127 1 624 . 1 1 57 57 GLU HG3 H 1 2.226 0.030 . 2 . . . . 57 GLU HG3 . 10127 1 625 . 1 1 57 57 GLU C C 13 179.233 0.300 . 1 . . . . 57 GLU C . 10127 1 626 . 1 1 57 57 GLU CA C 13 59.575 0.300 . 1 . . . . 57 GLU CA . 10127 1 627 . 1 1 57 57 GLU CB C 13 29.405 0.300 . 1 . . . . 57 GLU CB . 10127 1 628 . 1 1 57 57 GLU CG C 13 36.148 0.300 . 1 . . . . 57 GLU CG . 10127 1 629 . 1 1 57 57 GLU N N 15 117.243 0.300 . 1 . . . . 57 GLU N . 10127 1 630 . 1 1 58 58 HIS H H 1 7.785 0.030 . 1 . . . . 58 HIS H . 10127 1 631 . 1 1 58 58 HIS HA H 1 4.438 0.030 . 1 . . . . 58 HIS HA . 10127 1 632 . 1 1 58 58 HIS HB2 H 1 3.308 0.030 . 2 . . . . 58 HIS HB2 . 10127 1 633 . 1 1 58 58 HIS HB3 H 1 3.352 0.030 . 2 . . . . 58 HIS HB3 . 10127 1 634 . 1 1 58 58 HIS HD2 H 1 6.945 0.030 . 1 . . . . 58 HIS HD2 . 10127 1 635 . 1 1 58 58 HIS HE1 H 1 7.901 0.030 . 1 . . . . 58 HIS HE1 . 10127 1 636 . 1 1 58 58 HIS C C 13 178.755 0.300 . 1 . . . . 58 HIS C . 10127 1 637 . 1 1 58 58 HIS CA C 13 59.325 0.300 . 1 . . . . 58 HIS CA . 10127 1 638 . 1 1 58 58 HIS CB C 13 29.700 0.300 . 1 . . . . 58 HIS CB . 10127 1 639 . 1 1 58 58 HIS CD2 C 13 123.411 0.300 . 1 . . . . 58 HIS CD2 . 10127 1 640 . 1 1 58 58 HIS CE1 C 13 138.575 0.300 . 1 . . . . 58 HIS CE1 . 10127 1 641 . 1 1 58 58 HIS N N 15 118.357 0.300 . 1 . . . . 58 HIS N . 10127 1 642 . 1 1 59 59 LEU H H 1 8.966 0.030 . 1 . . . . 59 LEU H . 10127 1 643 . 1 1 59 59 LEU HA H 1 4.147 0.030 . 1 . . . . 59 LEU HA . 10127 1 644 . 1 1 59 59 LEU HB2 H 1 1.455 0.030 . 2 . . . . 59 LEU HB2 . 10127 1 645 . 1 1 59 59 LEU HB3 H 1 2.195 0.030 . 2 . . . . 59 LEU HB3 . 10127 1 646 . 1 1 59 59 LEU HG H 1 2.143 0.030 . 1 . . . . 59 LEU HG . 10127 1 647 . 1 1 59 59 LEU HD11 H 1 1.203 0.030 . 1 . . . . 59 LEU HD1 . 10127 1 648 . 1 1 59 59 LEU HD12 H 1 1.203 0.030 . 1 . . . . 59 LEU HD1 . 10127 1 649 . 1 1 59 59 LEU HD13 H 1 1.203 0.030 . 1 . . . . 59 LEU HD1 . 10127 1 650 . 1 1 59 59 LEU HD21 H 1 1.096 0.030 . 1 . . . . 59 LEU HD2 . 10127 1 651 . 1 1 59 59 LEU HD22 H 1 1.096 0.030 . 1 . . . . 59 LEU HD2 . 10127 1 652 . 1 1 59 59 LEU HD23 H 1 1.096 0.030 . 1 . . . . 59 LEU HD2 . 10127 1 653 . 1 1 59 59 LEU C C 13 178.396 0.300 . 1 . . . . 59 LEU C . 10127 1 654 . 1 1 59 59 LEU CA C 13 58.450 0.300 . 1 . . . . 59 LEU CA . 10127 1 655 . 1 1 59 59 LEU CB C 13 42.825 0.300 . 1 . . . . 59 LEU CB . 10127 1 656 . 1 1 59 59 LEU CG C 13 27.908 0.300 . 1 . . . . 59 LEU CG . 10127 1 657 . 1 1 59 59 LEU CD1 C 13 24.200 0.300 . 2 . . . . 59 LEU CD1 . 10127 1 658 . 1 1 59 59 LEU CD2 C 13 27.075 0.300 . 2 . . . . 59 LEU CD2 . 10127 1 659 . 1 1 59 59 LEU N N 15 120.114 0.300 . 1 . . . . 59 LEU N . 10127 1 660 . 1 1 60 60 LYS H H 1 8.136 0.030 . 1 . . . . 60 LYS H . 10127 1 661 . 1 1 60 60 LYS HA H 1 3.930 0.030 . 1 . . . . 60 LYS HA . 10127 1 662 . 1 1 60 60 LYS HB2 H 1 1.836 0.030 . 1 . . . . 60 LYS HB2 . 10127 1 663 . 1 1 60 60 LYS HB3 H 1 1.836 0.030 . 1 . . . . 60 LYS HB3 . 10127 1 664 . 1 1 60 60 LYS HG2 H 1 1.630 0.030 . 2 . . . . 60 LYS HG2 . 10127 1 665 . 1 1 60 60 LYS HG3 H 1 1.454 0.030 . 2 . . . . 60 LYS HG3 . 10127 1 666 . 1 1 60 60 LYS HD2 H 1 1.637 0.030 . 2 . . . . 60 LYS HD2 . 10127 1 667 . 1 1 60 60 LYS HD3 H 1 1.679 0.030 . 2 . . . . 60 LYS HD3 . 10127 1 668 . 1 1 60 60 LYS HE2 H 1 2.874 0.030 . 1 . . . . 60 LYS HE2 . 10127 1 669 . 1 1 60 60 LYS HE3 H 1 2.874 0.030 . 1 . . . . 60 LYS HE3 . 10127 1 670 . 1 1 60 60 LYS C C 13 178.210 0.300 . 1 . . . . 60 LYS C . 10127 1 671 . 1 1 60 60 LYS CA C 13 59.009 0.300 . 1 . . . . 60 LYS CA . 10127 1 672 . 1 1 60 60 LYS CB C 13 32.308 0.300 . 1 . . . . 60 LYS CB . 10127 1 673 . 1 1 60 60 LYS CG C 13 25.575 0.300 . 1 . . . . 60 LYS CG . 10127 1 674 . 1 1 60 60 LYS CD C 13 29.575 0.300 . 1 . . . . 60 LYS CD . 10127 1 675 . 1 1 60 60 LYS CE C 13 42.075 0.300 . 1 . . . . 60 LYS CE . 10127 1 676 . 1 1 60 60 LYS N N 15 118.078 0.300 . 1 . . . . 60 LYS N . 10127 1 677 . 1 1 61 61 GLU H H 1 7.182 0.030 . 1 . . . . 61 GLU H . 10127 1 678 . 1 1 61 61 GLU HA H 1 3.966 0.030 . 1 . . . . 61 GLU HA . 10127 1 679 . 1 1 61 61 GLU HB2 H 1 2.061 0.030 . 1 . . . . 61 GLU HB2 . 10127 1 680 . 1 1 61 61 GLU HB3 H 1 2.061 0.030 . 1 . . . . 61 GLU HB3 . 10127 1 681 . 1 1 61 61 GLU HG2 H 1 2.133 0.030 . 2 . . . . 61 GLU HG2 . 10127 1 682 . 1 1 61 61 GLU HG3 H 1 2.336 0.030 . 2 . . . . 61 GLU HG3 . 10127 1 683 . 1 1 61 61 GLU C C 13 177.850 0.300 . 1 . . . . 61 GLU C . 10127 1 684 . 1 1 61 61 GLU CA C 13 58.315 0.300 . 1 . . . . 61 GLU CA . 10127 1 685 . 1 1 61 61 GLU CB C 13 29.890 0.300 . 1 . . . . 61 GLU CB . 10127 1 686 . 1 1 61 61 GLU CG C 13 36.237 0.300 . 1 . . . . 61 GLU CG . 10127 1 687 . 1 1 61 61 GLU N N 15 116.417 0.300 . 1 . . . . 61 GLU N . 10127 1 688 . 1 1 62 62 LYS H H 1 7.475 0.030 . 1 . . . . 62 LYS H . 10127 1 689 . 1 1 62 62 LYS HA H 1 3.800 0.030 . 1 . . . . 62 LYS HA . 10127 1 690 . 1 1 62 62 LYS HB2 H 1 1.158 0.030 . 2 . . . . 62 LYS HB2 . 10127 1 691 . 1 1 62 62 LYS HB3 H 1 1.353 0.030 . 2 . . . . 62 LYS HB3 . 10127 1 692 . 1 1 62 62 LYS HG2 H 1 0.348 0.030 . 2 . . . . 62 LYS HG2 . 10127 1 693 . 1 1 62 62 LYS HG3 H 1 0.282 0.030 . 2 . . . . 62 LYS HG3 . 10127 1 694 . 1 1 62 62 LYS HD2 H 1 1.193 0.030 . 2 . . . . 62 LYS HD2 . 10127 1 695 . 1 1 62 62 LYS HD3 H 1 1.023 0.030 . 2 . . . . 62 LYS HD3 . 10127 1 696 . 1 1 62 62 LYS HE2 H 1 2.410 0.030 . 1 . . . . 62 LYS HE2 . 10127 1 697 . 1 1 62 62 LYS HE3 H 1 2.410 0.030 . 1 . . . . 62 LYS HE3 . 10127 1 698 . 1 1 62 62 LYS C C 13 175.919 0.300 . 1 . . . . 62 LYS C . 10127 1 699 . 1 1 62 62 LYS CA C 13 56.700 0.300 . 1 . . . . 62 LYS CA . 10127 1 700 . 1 1 62 62 LYS CB C 13 33.171 0.300 . 1 . . . . 62 LYS CB . 10127 1 701 . 1 1 62 62 LYS CG C 13 24.075 0.300 . 1 . . . . 62 LYS CG . 10127 1 702 . 1 1 62 62 LYS CD C 13 27.918 0.300 . 1 . . . . 62 LYS CD . 10127 1 703 . 1 1 62 62 LYS CE C 13 41.825 0.300 . 1 . . . . 62 LYS CE . 10127 1 704 . 1 1 62 62 LYS N N 15 118.231 0.300 . 1 . . . . 62 LYS N . 10127 1 705 . 1 1 63 63 PHE H H 1 8.312 0.030 . 1 . . . . 63 PHE H . 10127 1 706 . 1 1 63 63 PHE HA H 1 5.002 0.030 . 1 . . . . 63 PHE HA . 10127 1 707 . 1 1 63 63 PHE HB2 H 1 2.927 0.030 . 2 . . . . 63 PHE HB2 . 10127 1 708 . 1 1 63 63 PHE HB3 H 1 2.970 0.030 . 2 . . . . 63 PHE HB3 . 10127 1 709 . 1 1 63 63 PHE HD1 H 1 7.267 0.030 . 1 . . . . 63 PHE HD1 . 10127 1 710 . 1 1 63 63 PHE HD2 H 1 7.267 0.030 . 1 . . . . 63 PHE HD2 . 10127 1 711 . 1 1 63 63 PHE HE1 H 1 6.980 0.030 . 1 . . . . 63 PHE HE1 . 10127 1 712 . 1 1 63 63 PHE HE2 H 1 6.980 0.030 . 1 . . . . 63 PHE HE2 . 10127 1 713 . 1 1 63 63 PHE HZ H 1 6.785 0.030 . 1 . . . . 63 PHE HZ . 10127 1 714 . 1 1 63 63 PHE C C 13 173.193 0.300 . 1 . . . . 63 PHE C . 10127 1 715 . 1 1 63 63 PHE CA C 13 54.729 0.300 . 1 . . . . 63 PHE CA . 10127 1 716 . 1 1 63 63 PHE CB C 13 38.575 0.300 . 1 . . . . 63 PHE CB . 10127 1 717 . 1 1 63 63 PHE CD1 C 13 132.825 0.300 . 1 . . . . 63 PHE CD1 . 10127 1 718 . 1 1 63 63 PHE CD2 C 13 132.825 0.300 . 1 . . . . 63 PHE CD2 . 10127 1 719 . 1 1 63 63 PHE CE1 C 13 130.536 0.300 . 1 . . . . 63 PHE CE1 . 10127 1 720 . 1 1 63 63 PHE CE2 C 13 130.536 0.300 . 1 . . . . 63 PHE CE2 . 10127 1 721 . 1 1 63 63 PHE CZ C 13 128.575 0.300 . 1 . . . . 63 PHE CZ . 10127 1 722 . 1 1 63 63 PHE N N 15 116.854 0.300 . 1 . . . . 63 PHE N . 10127 1 723 . 1 1 64 64 PRO HA H 1 4.567 0.030 . 1 . . . . 64 PRO HA . 10127 1 724 . 1 1 64 64 PRO HB2 H 1 1.954 0.030 . 2 . . . . 64 PRO HB2 . 10127 1 725 . 1 1 64 64 PRO HB3 H 1 2.341 0.030 . 2 . . . . 64 PRO HB3 . 10127 1 726 . 1 1 64 64 PRO HG2 H 1 1.907 0.030 . 2 . . . . 64 PRO HG2 . 10127 1 727 . 1 1 64 64 PRO HG3 H 1 1.958 0.030 . 2 . . . . 64 PRO HG3 . 10127 1 728 . 1 1 64 64 PRO HD2 H 1 3.563 0.030 . 2 . . . . 64 PRO HD2 . 10127 1 729 . 1 1 64 64 PRO HD3 H 1 3.250 0.030 . 2 . . . . 64 PRO HD3 . 10127 1 730 . 1 1 64 64 PRO C C 13 178.167 0.300 . 1 . . . . 64 PRO C . 10127 1 731 . 1 1 64 64 PRO CA C 13 64.825 0.300 . 1 . . . . 64 PRO CA . 10127 1 732 . 1 1 64 64 PRO CB C 13 32.200 0.300 . 1 . . . . 64 PRO CB . 10127 1 733 . 1 1 64 64 PRO CG C 13 27.200 0.300 . 1 . . . . 64 PRO CG . 10127 1 734 . 1 1 64 64 PRO CD C 13 50.186 0.300 . 1 . . . . 64 PRO CD . 10127 1 735 . 1 1 65 65 GLU H H 1 9.023 0.030 . 1 . . . . 65 GLU H . 10127 1 736 . 1 1 65 65 GLU HA H 1 4.379 0.030 . 1 . . . . 65 GLU HA . 10127 1 737 . 1 1 65 65 GLU HB2 H 1 1.956 0.030 . 2 . . . . 65 GLU HB2 . 10127 1 738 . 1 1 65 65 GLU HB3 H 1 2.203 0.030 . 2 . . . . 65 GLU HB3 . 10127 1 739 . 1 1 65 65 GLU HG2 H 1 2.268 0.030 . 2 . . . . 65 GLU HG2 . 10127 1 740 . 1 1 65 65 GLU HG3 H 1 2.184 0.030 . 2 . . . . 65 GLU HG3 . 10127 1 741 . 1 1 65 65 GLU C C 13 176.906 0.300 . 1 . . . . 65 GLU C . 10127 1 742 . 1 1 65 65 GLU CA C 13 56.325 0.300 . 1 . . . . 65 GLU CA . 10127 1 743 . 1 1 65 65 GLU CB C 13 29.217 0.300 . 1 . . . . 65 GLU CB . 10127 1 744 . 1 1 65 65 GLU CG C 13 36.571 0.300 . 1 . . . . 65 GLU CG . 10127 1 745 . 1 1 65 65 GLU N N 15 116.632 0.300 . 1 . . . . 65 GLU N . 10127 1 746 . 1 1 66 66 VAL H H 1 7.379 0.030 . 1 . . . . 66 VAL H . 10127 1 747 . 1 1 66 66 VAL HA H 1 4.139 0.030 . 1 . . . . 66 VAL HA . 10127 1 748 . 1 1 66 66 VAL HB H 1 2.157 0.030 . 1 . . . . 66 VAL HB . 10127 1 749 . 1 1 66 66 VAL HG11 H 1 0.964 0.030 . 1 . . . . 66 VAL HG1 . 10127 1 750 . 1 1 66 66 VAL HG12 H 1 0.964 0.030 . 1 . . . . 66 VAL HG1 . 10127 1 751 . 1 1 66 66 VAL HG13 H 1 0.964 0.030 . 1 . . . . 66 VAL HG1 . 10127 1 752 . 1 1 66 66 VAL HG21 H 1 0.970 0.030 . 1 . . . . 66 VAL HG2 . 10127 1 753 . 1 1 66 66 VAL HG22 H 1 0.970 0.030 . 1 . . . . 66 VAL HG2 . 10127 1 754 . 1 1 66 66 VAL HG23 H 1 0.970 0.030 . 1 . . . . 66 VAL HG2 . 10127 1 755 . 1 1 66 66 VAL C C 13 175.191 0.300 . 1 . . . . 66 VAL C . 10127 1 756 . 1 1 66 66 VAL CA C 13 61.825 0.300 . 1 . . . . 66 VAL CA . 10127 1 757 . 1 1 66 66 VAL CB C 13 32.584 0.300 . 1 . . . . 66 VAL CB . 10127 1 758 . 1 1 66 66 VAL CG1 C 13 21.668 0.300 . 2 . . . . 66 VAL CG1 . 10127 1 759 . 1 1 66 66 VAL CG2 C 13 21.992 0.300 . 2 . . . . 66 VAL CG2 . 10127 1 760 . 1 1 66 66 VAL N N 15 120.214 0.300 . 1 . . . . 66 VAL N . 10127 1 761 . 1 1 67 67 ASP H H 1 8.780 0.030 . 1 . . . . 67 ASP H . 10127 1 762 . 1 1 67 67 ASP HA H 1 4.505 0.030 . 1 . . . . 67 ASP HA . 10127 1 763 . 1 1 67 67 ASP HB2 H 1 2.641 0.030 . 2 . . . . 67 ASP HB2 . 10127 1 764 . 1 1 67 67 ASP HB3 H 1 2.752 0.030 . 2 . . . . 67 ASP HB3 . 10127 1 765 . 1 1 67 67 ASP C C 13 177.406 0.300 . 1 . . . . 67 ASP C . 10127 1 766 . 1 1 67 67 ASP CA C 13 54.450 0.300 . 1 . . . . 67 ASP CA . 10127 1 767 . 1 1 67 67 ASP CB C 13 43.263 0.300 . 1 . . . . 67 ASP CB . 10127 1 768 . 1 1 67 67 ASP N N 15 126.308 0.300 . 1 . . . . 67 ASP N . 10127 1 769 . 1 1 68 68 GLN H H 1 8.744 0.030 . 1 . . . . 68 GLN H . 10127 1 770 . 1 1 68 68 GLN HA H 1 3.849 0.030 . 1 . . . . 68 GLN HA . 10127 1 771 . 1 1 68 68 GLN HB2 H 1 1.904 0.030 . 2 . . . . 68 GLN HB2 . 10127 1 772 . 1 1 68 68 GLN HB3 H 1 2.068 0.030 . 2 . . . . 68 GLN HB3 . 10127 1 773 . 1 1 68 68 GLN HG2 H 1 2.116 0.030 . 2 . . . . 68 GLN HG2 . 10127 1 774 . 1 1 68 68 GLN HG3 H 1 2.226 0.030 . 2 . . . . 68 GLN HG3 . 10127 1 775 . 1 1 68 68 GLN HE21 H 1 7.353 0.030 . 2 . . . . 68 GLN HE21 . 10127 1 776 . 1 1 68 68 GLN HE22 H 1 6.735 0.030 . 2 . . . . 68 GLN HE22 . 10127 1 777 . 1 1 68 68 GLN C C 13 177.692 0.300 . 1 . . . . 68 GLN C . 10127 1 778 . 1 1 68 68 GLN CA C 13 59.200 0.300 . 1 . . . . 68 GLN CA . 10127 1 779 . 1 1 68 68 GLN CB C 13 28.204 0.300 . 1 . . . . 68 GLN CB . 10127 1 780 . 1 1 68 68 GLN CG C 13 33.158 0.300 . 1 . . . . 68 GLN CG . 10127 1 781 . 1 1 68 68 GLN N N 15 124.045 0.300 . 1 . . . . 68 GLN N . 10127 1 782 . 1 1 68 68 GLN NE2 N 15 111.585 0.300 . 1 . . . . 68 GLN NE2 . 10127 1 783 . 1 1 69 69 PHE H H 1 8.707 0.030 . 1 . . . . 69 PHE H . 10127 1 784 . 1 1 69 69 PHE HA H 1 4.169 0.030 . 1 . . . . 69 PHE HA . 10127 1 785 . 1 1 69 69 PHE HB2 H 1 2.791 0.030 . 2 . . . . 69 PHE HB2 . 10127 1 786 . 1 1 69 69 PHE HB3 H 1 2.919 0.030 . 2 . . . . 69 PHE HB3 . 10127 1 787 . 1 1 69 69 PHE HD1 H 1 7.142 0.030 . 1 . . . . 69 PHE HD1 . 10127 1 788 . 1 1 69 69 PHE HD2 H 1 7.142 0.030 . 1 . . . . 69 PHE HD2 . 10127 1 789 . 1 1 69 69 PHE C C 13 177.855 0.300 . 1 . . . . 69 PHE C . 10127 1 790 . 1 1 69 69 PHE CA C 13 61.325 0.300 . 1 . . . . 69 PHE CA . 10127 1 791 . 1 1 69 69 PHE CB C 13 37.950 0.300 . 1 . . . . 69 PHE CB . 10127 1 792 . 1 1 69 69 PHE CD1 C 13 131.575 0.300 . 1 . . . . 69 PHE CD1 . 10127 1 793 . 1 1 69 69 PHE CD2 C 13 131.575 0.300 . 1 . . . . 69 PHE CD2 . 10127 1 794 . 1 1 69 69 PHE N N 15 117.778 0.300 . 1 . . . . 69 PHE N . 10127 1 795 . 1 1 70 70 GLU H H 1 7.613 0.030 . 1 . . . . 70 GLU H . 10127 1 796 . 1 1 70 70 GLU HA H 1 3.859 0.030 . 1 . . . . 70 GLU HA . 10127 1 797 . 1 1 70 70 GLU HB2 H 1 2.087 0.030 . 2 . . . . 70 GLU HB2 . 10127 1 798 . 1 1 70 70 GLU HB3 H 1 2.137 0.030 . 2 . . . . 70 GLU HB3 . 10127 1 799 . 1 1 70 70 GLU HG2 H 1 2.270 0.030 . 2 . . . . 70 GLU HG2 . 10127 1 800 . 1 1 70 70 GLU HG3 H 1 2.073 0.030 . 2 . . . . 70 GLU HG3 . 10127 1 801 . 1 1 70 70 GLU C C 13 179.156 0.300 . 1 . . . . 70 GLU C . 10127 1 802 . 1 1 70 70 GLU CA C 13 59.825 0.300 . 1 . . . . 70 GLU CA . 10127 1 803 . 1 1 70 70 GLU CB C 13 29.575 0.300 . 1 . . . . 70 GLU CB . 10127 1 804 . 1 1 70 70 GLU CG C 13 37.341 0.300 . 1 . . . . 70 GLU CG . 10127 1 805 . 1 1 70 70 GLU N N 15 119.136 0.300 . 1 . . . . 70 GLU N . 10127 1 806 . 1 1 71 71 ILE H H 1 7.261 0.030 . 1 . . . . 71 ILE H . 10127 1 807 . 1 1 71 71 ILE HA H 1 3.462 0.030 . 1 . . . . 71 ILE HA . 10127 1 808 . 1 1 71 71 ILE HB H 1 2.079 0.030 . 1 . . . . 71 ILE HB . 10127 1 809 . 1 1 71 71 ILE HG12 H 1 1.021 0.030 . 2 . . . . 71 ILE HG12 . 10127 1 810 . 1 1 71 71 ILE HG13 H 1 1.624 0.030 . 2 . . . . 71 ILE HG13 . 10127 1 811 . 1 1 71 71 ILE HG21 H 1 0.950 0.030 . 1 . . . . 71 ILE HG2 . 10127 1 812 . 1 1 71 71 ILE HG22 H 1 0.950 0.030 . 1 . . . . 71 ILE HG2 . 10127 1 813 . 1 1 71 71 ILE HG23 H 1 0.950 0.030 . 1 . . . . 71 ILE HG2 . 10127 1 814 . 1 1 71 71 ILE HD11 H 1 0.791 0.030 . 1 . . . . 71 ILE HD1 . 10127 1 815 . 1 1 71 71 ILE HD12 H 1 0.791 0.030 . 1 . . . . 71 ILE HD1 . 10127 1 816 . 1 1 71 71 ILE HD13 H 1 0.791 0.030 . 1 . . . . 71 ILE HD1 . 10127 1 817 . 1 1 71 71 ILE C C 13 177.207 0.300 . 1 . . . . 71 ILE C . 10127 1 818 . 1 1 71 71 ILE CA C 13 65.420 0.300 . 1 . . . . 71 ILE CA . 10127 1 819 . 1 1 71 71 ILE CB C 13 37.825 0.300 . 1 . . . . 71 ILE CB . 10127 1 820 . 1 1 71 71 ILE CG1 C 13 29.408 0.300 . 1 . . . . 71 ILE CG1 . 10127 1 821 . 1 1 71 71 ILE CG2 C 13 17.577 0.300 . 1 . . . . 71 ILE CG2 . 10127 1 822 . 1 1 71 71 ILE CD1 C 13 13.044 0.300 . 1 . . . . 71 ILE CD1 . 10127 1 823 . 1 1 71 71 ILE N N 15 121.064 0.300 . 1 . . . . 71 ILE N . 10127 1 824 . 1 1 72 72 ILE H H 1 7.940 0.030 . 1 . . . . 72 ILE H . 10127 1 825 . 1 1 72 72 ILE HA H 1 3.775 0.030 . 1 . . . . 72 ILE HA . 10127 1 826 . 1 1 72 72 ILE HB H 1 1.741 0.030 . 1 . . . . 72 ILE HB . 10127 1 827 . 1 1 72 72 ILE HG12 H 1 1.158 0.030 . 2 . . . . 72 ILE HG12 . 10127 1 828 . 1 1 72 72 ILE HG13 H 1 1.575 0.030 . 2 . . . . 72 ILE HG13 . 10127 1 829 . 1 1 72 72 ILE HG21 H 1 0.889 0.030 . 1 . . . . 72 ILE HG2 . 10127 1 830 . 1 1 72 72 ILE HG22 H 1 0.889 0.030 . 1 . . . . 72 ILE HG2 . 10127 1 831 . 1 1 72 72 ILE HG23 H 1 0.889 0.030 . 1 . . . . 72 ILE HG2 . 10127 1 832 . 1 1 72 72 ILE HD11 H 1 0.729 0.030 . 1 . . . . 72 ILE HD1 . 10127 1 833 . 1 1 72 72 ILE HD12 H 1 0.729 0.030 . 1 . . . . 72 ILE HD1 . 10127 1 834 . 1 1 72 72 ILE HD13 H 1 0.729 0.030 . 1 . . . . 72 ILE HD1 . 10127 1 835 . 1 1 72 72 ILE C C 13 178.882 0.300 . 1 . . . . 72 ILE C . 10127 1 836 . 1 1 72 72 ILE CA C 13 64.615 0.300 . 1 . . . . 72 ILE CA . 10127 1 837 . 1 1 72 72 ILE CB C 13 38.700 0.300 . 1 . . . . 72 ILE CB . 10127 1 838 . 1 1 72 72 ILE CG1 C 13 28.825 0.300 . 1 . . . . 72 ILE CG1 . 10127 1 839 . 1 1 72 72 ILE CG2 C 13 17.200 0.300 . 1 . . . . 72 ILE CG2 . 10127 1 840 . 1 1 72 72 ILE CD1 C 13 13.569 0.300 . 1 . . . . 72 ILE CD1 . 10127 1 841 . 1 1 72 72 ILE N N 15 120.138 0.300 . 1 . . . . 72 ILE N . 10127 1 842 . 1 1 73 73 GLU H H 1 8.035 0.030 . 1 . . . . 73 GLU H . 10127 1 843 . 1 1 73 73 GLU HA H 1 4.290 0.030 . 1 . . . . 73 GLU HA . 10127 1 844 . 1 1 73 73 GLU HB2 H 1 1.874 0.030 . 2 . . . . 73 GLU HB2 . 10127 1 845 . 1 1 73 73 GLU HB3 H 1 1.779 0.030 . 2 . . . . 73 GLU HB3 . 10127 1 846 . 1 1 73 73 GLU HG2 H 1 2.231 0.030 . 2 . . . . 73 GLU HG2 . 10127 1 847 . 1 1 73 73 GLU HG3 H 1 2.114 0.030 . 2 . . . . 73 GLU HG3 . 10127 1 848 . 1 1 73 73 GLU C C 13 178.983 0.300 . 1 . . . . 73 GLU C . 10127 1 849 . 1 1 73 73 GLU CA C 13 58.325 0.300 . 1 . . . . 73 GLU CA . 10127 1 850 . 1 1 73 73 GLU CB C 13 29.112 0.300 . 1 . . . . 73 GLU CB . 10127 1 851 . 1 1 73 73 GLU CG C 13 35.200 0.300 . 1 . . . . 73 GLU CG . 10127 1 852 . 1 1 73 73 GLU N N 15 118.157 0.300 . 1 . . . . 73 GLU N . 10127 1 853 . 1 1 74 74 SER H H 1 7.903 0.030 . 1 . . . . 74 SER H . 10127 1 854 . 1 1 74 74 SER HA H 1 3.762 0.030 . 1 . . . . 74 SER HA . 10127 1 855 . 1 1 74 74 SER HB2 H 1 4.030 0.030 . 2 . . . . 74 SER HB2 . 10127 1 856 . 1 1 74 74 SER HB3 H 1 3.931 0.030 . 2 . . . . 74 SER HB3 . 10127 1 857 . 1 1 74 74 SER C C 13 175.439 0.300 . 1 . . . . 74 SER C . 10127 1 858 . 1 1 74 74 SER CA C 13 63.034 0.300 . 1 . . . . 74 SER CA . 10127 1 859 . 1 1 74 74 SER CB C 13 63.034 0.300 . 1 . . . . 74 SER CB . 10127 1 860 . 1 1 75 75 PHE H H 1 7.812 0.030 . 1 . . . . 75 PHE H . 10127 1 861 . 1 1 75 75 PHE HA H 1 3.784 0.030 . 1 . . . . 75 PHE HA . 10127 1 862 . 1 1 75 75 PHE HB2 H 1 2.948 0.030 . 2 . . . . 75 PHE HB2 . 10127 1 863 . 1 1 75 75 PHE HB3 H 1 3.336 0.030 . 2 . . . . 75 PHE HB3 . 10127 1 864 . 1 1 75 75 PHE HD1 H 1 7.127 0.030 . 1 . . . . 75 PHE HD1 . 10127 1 865 . 1 1 75 75 PHE HD2 H 1 7.127 0.030 . 1 . . . . 75 PHE HD2 . 10127 1 866 . 1 1 75 75 PHE HE1 H 1 7.102 0.030 . 1 . . . . 75 PHE HE1 . 10127 1 867 . 1 1 75 75 PHE HE2 H 1 7.102 0.030 . 1 . . . . 75 PHE HE2 . 10127 1 868 . 1 1 75 75 PHE HZ H 1 7.055 0.030 . 1 . . . . 75 PHE HZ . 10127 1 869 . 1 1 75 75 PHE C C 13 176.295 0.300 . 1 . . . . 75 PHE C . 10127 1 870 . 1 1 75 75 PHE CA C 13 63.094 0.300 . 1 . . . . 75 PHE CA . 10127 1 871 . 1 1 75 75 PHE CB C 13 38.751 0.300 . 1 . . . . 75 PHE CB . 10127 1 872 . 1 1 75 75 PHE CD1 C 13 132.075 0.300 . 1 . . . . 75 PHE CD1 . 10127 1 873 . 1 1 75 75 PHE CD2 C 13 132.075 0.300 . 1 . . . . 75 PHE CD2 . 10127 1 874 . 1 1 75 75 PHE CE1 C 13 130.325 0.300 . 1 . . . . 75 PHE CE1 . 10127 1 875 . 1 1 75 75 PHE CE2 C 13 130.325 0.300 . 1 . . . . 75 PHE CE2 . 10127 1 876 . 1 1 75 75 PHE CZ C 13 128.700 0.300 . 1 . . . . 75 PHE CZ . 10127 1 877 . 1 1 75 75 PHE N N 15 119.528 0.300 . 1 . . . . 75 PHE N . 10127 1 878 . 1 1 76 76 ASN H H 1 8.236 0.030 . 1 . . . . 76 ASN H . 10127 1 879 . 1 1 76 76 ASN HA H 1 4.353 0.030 . 1 . . . . 76 ASN HA . 10127 1 880 . 1 1 76 76 ASN HB2 H 1 3.052 0.030 . 2 . . . . 76 ASN HB2 . 10127 1 881 . 1 1 76 76 ASN HB3 H 1 2.816 0.030 . 2 . . . . 76 ASN HB3 . 10127 1 882 . 1 1 76 76 ASN HD21 H 1 6.900 0.030 . 2 . . . . 76 ASN HD21 . 10127 1 883 . 1 1 76 76 ASN HD22 H 1 7.637 0.030 . 2 . . . . 76 ASN HD22 . 10127 1 884 . 1 1 76 76 ASN C C 13 178.264 0.300 . 1 . . . . 76 ASN C . 10127 1 885 . 1 1 76 76 ASN CA C 13 56.325 0.300 . 1 . . . . 76 ASN CA . 10127 1 886 . 1 1 76 76 ASN CB C 13 37.700 0.300 . 1 . . . . 76 ASN CB . 10127 1 887 . 1 1 76 76 ASN N N 15 117.472 0.300 . 1 . . . . 76 ASN N . 10127 1 888 . 1 1 76 76 ASN ND2 N 15 111.769 0.300 . 1 . . . . 76 ASN ND2 . 10127 1 889 . 1 1 77 77 ILE H H 1 8.373 0.030 . 1 . . . . 77 ILE H . 10127 1 890 . 1 1 77 77 ILE HA H 1 3.634 0.030 . 1 . . . . 77 ILE HA . 10127 1 891 . 1 1 77 77 ILE HB H 1 1.989 0.030 . 1 . . . . 77 ILE HB . 10127 1 892 . 1 1 77 77 ILE HG12 H 1 1.151 0.030 . 2 . . . . 77 ILE HG12 . 10127 1 893 . 1 1 77 77 ILE HG13 H 1 1.825 0.030 . 2 . . . . 77 ILE HG13 . 10127 1 894 . 1 1 77 77 ILE HG21 H 1 0.894 0.030 . 1 . . . . 77 ILE HG2 . 10127 1 895 . 1 1 77 77 ILE HG22 H 1 0.894 0.030 . 1 . . . . 77 ILE HG2 . 10127 1 896 . 1 1 77 77 ILE HG23 H 1 0.894 0.030 . 1 . . . . 77 ILE HG2 . 10127 1 897 . 1 1 77 77 ILE HD11 H 1 0.879 0.030 . 1 . . . . 77 ILE HD1 . 10127 1 898 . 1 1 77 77 ILE HD12 H 1 0.879 0.030 . 1 . . . . 77 ILE HD1 . 10127 1 899 . 1 1 77 77 ILE HD13 H 1 0.879 0.030 . 1 . . . . 77 ILE HD1 . 10127 1 900 . 1 1 77 77 ILE C C 13 178.619 0.300 . 1 . . . . 77 ILE C . 10127 1 901 . 1 1 77 77 ILE CA C 13 65.325 0.300 . 1 . . . . 77 ILE CA . 10127 1 902 . 1 1 77 77 ILE CB C 13 38.450 0.300 . 1 . . . . 77 ILE CB . 10127 1 903 . 1 1 77 77 ILE CG1 C 13 29.646 0.300 . 1 . . . . 77 ILE CG1 . 10127 1 904 . 1 1 77 77 ILE CG2 C 13 16.950 0.300 . 1 . . . . 77 ILE CG2 . 10127 1 905 . 1 1 77 77 ILE CD1 C 13 14.325 0.300 . 1 . . . . 77 ILE CD1 . 10127 1 906 . 1 1 77 77 ILE N N 15 120.733 0.300 . 1 . . . . 77 ILE N . 10127 1 907 . 1 1 78 78 VAL H H 1 7.550 0.030 . 1 . . . . 78 VAL H . 10127 1 908 . 1 1 78 78 VAL HA H 1 3.437 0.030 . 1 . . . . 78 VAL HA . 10127 1 909 . 1 1 78 78 VAL HB H 1 1.774 0.030 . 1 . . . . 78 VAL HB . 10127 1 910 . 1 1 78 78 VAL HG11 H 1 0.980 0.030 . 1 . . . . 78 VAL HG1 . 10127 1 911 . 1 1 78 78 VAL HG12 H 1 0.980 0.030 . 1 . . . . 78 VAL HG1 . 10127 1 912 . 1 1 78 78 VAL HG13 H 1 0.980 0.030 . 1 . . . . 78 VAL HG1 . 10127 1 913 . 1 1 78 78 VAL HG21 H 1 0.615 0.030 . 1 . . . . 78 VAL HG2 . 10127 1 914 . 1 1 78 78 VAL HG22 H 1 0.615 0.030 . 1 . . . . 78 VAL HG2 . 10127 1 915 . 1 1 78 78 VAL HG23 H 1 0.615 0.030 . 1 . . . . 78 VAL HG2 . 10127 1 916 . 1 1 78 78 VAL C C 13 177.108 0.300 . 1 . . . . 78 VAL C . 10127 1 917 . 1 1 78 78 VAL CA C 13 67.119 0.300 . 1 . . . . 78 VAL CA . 10127 1 918 . 1 1 78 78 VAL CB C 13 31.325 0.300 . 1 . . . . 78 VAL CB . 10127 1 919 . 1 1 78 78 VAL CG1 C 13 25.051 0.300 . 2 . . . . 78 VAL CG1 . 10127 1 920 . 1 1 78 78 VAL CG2 C 13 21.200 0.300 . 2 . . . . 78 VAL CG2 . 10127 1 921 . 1 1 78 78 VAL N N 15 121.602 0.300 . 1 . . . . 78 VAL N . 10127 1 922 . 1 1 79 79 ALA H H 1 8.690 0.030 . 1 . . . . 79 ALA H . 10127 1 923 . 1 1 79 79 ALA HA H 1 3.662 0.030 . 1 . . . . 79 ALA HA . 10127 1 924 . 1 1 79 79 ALA HB1 H 1 1.078 0.030 . 1 . . . . 79 ALA HB . 10127 1 925 . 1 1 79 79 ALA HB2 H 1 1.078 0.030 . 1 . . . . 79 ALA HB . 10127 1 926 . 1 1 79 79 ALA HB3 H 1 1.078 0.030 . 1 . . . . 79 ALA HB . 10127 1 927 . 1 1 79 79 ALA C C 13 179.532 0.300 . 1 . . . . 79 ALA C . 10127 1 928 . 1 1 79 79 ALA CA C 13 55.986 0.300 . 1 . . . . 79 ALA CA . 10127 1 929 . 1 1 79 79 ALA CB C 13 17.115 0.300 . 1 . . . . 79 ALA CB . 10127 1 930 . 1 1 79 79 ALA N N 15 121.664 0.300 . 1 . . . . 79 ALA N . 10127 1 931 . 1 1 80 80 LYS H H 1 8.011 0.030 . 1 . . . . 80 LYS H . 10127 1 932 . 1 1 80 80 LYS HA H 1 3.919 0.030 . 1 . . . . 80 LYS HA . 10127 1 933 . 1 1 80 80 LYS HB2 H 1 1.835 0.030 . 1 . . . . 80 LYS HB2 . 10127 1 934 . 1 1 80 80 LYS HB3 H 1 1.835 0.030 . 1 . . . . 80 LYS HB3 . 10127 1 935 . 1 1 80 80 LYS HG2 H 1 1.619 0.030 . 2 . . . . 80 LYS HG2 . 10127 1 936 . 1 1 80 80 LYS HG3 H 1 1.378 0.030 . 2 . . . . 80 LYS HG3 . 10127 1 937 . 1 1 80 80 LYS HD2 H 1 1.626 0.030 . 1 . . . . 80 LYS HD2 . 10127 1 938 . 1 1 80 80 LYS HD3 H 1 1.626 0.030 . 1 . . . . 80 LYS HD3 . 10127 1 939 . 1 1 80 80 LYS HE2 H 1 2.881 0.030 . 1 . . . . 80 LYS HE2 . 10127 1 940 . 1 1 80 80 LYS HE3 H 1 2.881 0.030 . 1 . . . . 80 LYS HE3 . 10127 1 941 . 1 1 80 80 LYS C C 13 178.906 0.300 . 1 . . . . 80 LYS C . 10127 1 942 . 1 1 80 80 LYS CA C 13 59.917 0.300 . 1 . . . . 80 LYS CA . 10127 1 943 . 1 1 80 80 LYS CB C 13 32.400 0.300 . 1 . . . . 80 LYS CB . 10127 1 944 . 1 1 80 80 LYS CG C 13 25.825 0.300 . 1 . . . . 80 LYS CG . 10127 1 945 . 1 1 80 80 LYS CD C 13 29.512 0.300 . 1 . . . . 80 LYS CD . 10127 1 946 . 1 1 80 80 LYS CE C 13 42.051 0.300 . 1 . . . . 80 LYS CE . 10127 1 947 . 1 1 80 80 LYS N N 15 116.558 0.300 . 1 . . . . 80 LYS N . 10127 1 948 . 1 1 81 81 GLU H H 1 7.843 0.030 . 1 . . . . 81 GLU H . 10127 1 949 . 1 1 81 81 GLU HA H 1 3.968 0.030 . 1 . . . . 81 GLU HA . 10127 1 950 . 1 1 81 81 GLU HB2 H 1 2.120 0.030 . 1 . . . . 81 GLU HB2 . 10127 1 951 . 1 1 81 81 GLU HB3 H 1 2.120 0.030 . 1 . . . . 81 GLU HB3 . 10127 1 952 . 1 1 81 81 GLU HG2 H 1 2.347 0.030 . 1 . . . . 81 GLU HG2 . 10127 1 953 . 1 1 81 81 GLU HG3 H 1 2.347 0.030 . 1 . . . . 81 GLU HG3 . 10127 1 954 . 1 1 81 81 GLU C C 13 179.661 0.300 . 1 . . . . 81 GLU C . 10127 1 955 . 1 1 81 81 GLU CA C 13 59.685 0.300 . 1 . . . . 81 GLU CA . 10127 1 956 . 1 1 81 81 GLU CB C 13 29.401 0.300 . 1 . . . . 81 GLU CB . 10127 1 957 . 1 1 81 81 GLU CG C 13 36.351 0.300 . 1 . . . . 81 GLU CG . 10127 1 958 . 1 1 81 81 GLU N N 15 120.442 0.300 . 1 . . . . 81 GLU N . 10127 1 959 . 1 1 82 82 VAL H H 1 8.348 0.030 . 1 . . . . 82 VAL H . 10127 1 960 . 1 1 82 82 VAL HA H 1 3.507 0.030 . 1 . . . . 82 VAL HA . 10127 1 961 . 1 1 82 82 VAL HB H 1 1.998 0.030 . 1 . . . . 82 VAL HB . 10127 1 962 . 1 1 82 82 VAL HG11 H 1 0.945 0.030 . 1 . . . . 82 VAL HG1 . 10127 1 963 . 1 1 82 82 VAL HG12 H 1 0.945 0.030 . 1 . . . . 82 VAL HG1 . 10127 1 964 . 1 1 82 82 VAL HG13 H 1 0.945 0.030 . 1 . . . . 82 VAL HG1 . 10127 1 965 . 1 1 82 82 VAL HG21 H 1 0.611 0.030 . 1 . . . . 82 VAL HG2 . 10127 1 966 . 1 1 82 82 VAL HG22 H 1 0.611 0.030 . 1 . . . . 82 VAL HG2 . 10127 1 967 . 1 1 82 82 VAL HG23 H 1 0.611 0.030 . 1 . . . . 82 VAL HG2 . 10127 1 968 . 1 1 82 82 VAL C C 13 178.069 0.300 . 1 . . . . 82 VAL C . 10127 1 969 . 1 1 82 82 VAL CA C 13 66.543 0.300 . 1 . . . . 82 VAL CA . 10127 1 970 . 1 1 82 82 VAL CB C 13 31.468 0.300 . 1 . . . . 82 VAL CB . 10127 1 971 . 1 1 82 82 VAL CG1 C 13 23.825 0.300 . 2 . . . . 82 VAL CG1 . 10127 1 972 . 1 1 82 82 VAL CG2 C 13 21.200 0.300 . 2 . . . . 82 VAL CG2 . 10127 1 973 . 1 1 82 82 VAL N N 15 120.368 0.300 . 1 . . . . 82 VAL N . 10127 1 974 . 1 1 83 83 PHE H H 1 8.166 0.030 . 1 . . . . 83 PHE H . 10127 1 975 . 1 1 83 83 PHE HA H 1 3.742 0.030 . 1 . . . . 83 PHE HA . 10127 1 976 . 1 1 83 83 PHE HB2 H 1 2.694 0.030 . 2 . . . . 83 PHE HB2 . 10127 1 977 . 1 1 83 83 PHE HB3 H 1 2.894 0.030 . 2 . . . . 83 PHE HB3 . 10127 1 978 . 1 1 83 83 PHE HD1 H 1 6.687 0.030 . 1 . . . . 83 PHE HD1 . 10127 1 979 . 1 1 83 83 PHE HD2 H 1 6.687 0.030 . 1 . . . . 83 PHE HD2 . 10127 1 980 . 1 1 83 83 PHE HE1 H 1 7.137 0.030 . 1 . . . . 83 PHE HE1 . 10127 1 981 . 1 1 83 83 PHE HE2 H 1 7.137 0.030 . 1 . . . . 83 PHE HE2 . 10127 1 982 . 1 1 83 83 PHE C C 13 177.355 0.300 . 1 . . . . 83 PHE C . 10127 1 983 . 1 1 83 83 PHE CA C 13 60.950 0.300 . 1 . . . . 83 PHE CA . 10127 1 984 . 1 1 83 83 PHE CB C 13 38.575 0.300 . 1 . . . . 83 PHE CB . 10127 1 985 . 1 1 83 83 PHE CD1 C 13 131.075 0.300 . 1 . . . . 83 PHE CD1 . 10127 1 986 . 1 1 83 83 PHE CD2 C 13 131.075 0.300 . 1 . . . . 83 PHE CD2 . 10127 1 987 . 1 1 83 83 PHE CE1 C 13 131.075 0.300 . 1 . . . . 83 PHE CE1 . 10127 1 988 . 1 1 83 83 PHE CE2 C 13 131.075 0.300 . 1 . . . . 83 PHE CE2 . 10127 1 989 . 1 1 83 83 PHE N N 15 119.684 0.300 . 1 . . . . 83 PHE N . 10127 1 990 . 1 1 84 84 ARG H H 1 8.175 0.030 . 1 . . . . 84 ARG H . 10127 1 991 . 1 1 84 84 ARG HA H 1 3.819 0.030 . 1 . . . . 84 ARG HA . 10127 1 992 . 1 1 84 84 ARG HB2 H 1 1.865 0.030 . 1 . . . . 84 ARG HB2 . 10127 1 993 . 1 1 84 84 ARG HB3 H 1 1.865 0.030 . 1 . . . . 84 ARG HB3 . 10127 1 994 . 1 1 84 84 ARG HG2 H 1 1.705 0.030 . 2 . . . . 84 ARG HG2 . 10127 1 995 . 1 1 84 84 ARG HG3 H 1 1.559 0.030 . 2 . . . . 84 ARG HG3 . 10127 1 996 . 1 1 84 84 ARG HD2 H 1 3.136 0.030 . 1 . . . . 84 ARG HD2 . 10127 1 997 . 1 1 84 84 ARG HD3 H 1 3.136 0.030 . 1 . . . . 84 ARG HD3 . 10127 1 998 . 1 1 84 84 ARG C C 13 177.689 0.300 . 1 . . . . 84 ARG C . 10127 1 999 . 1 1 84 84 ARG CA C 13 59.075 0.300 . 1 . . . . 84 ARG CA . 10127 1 1000 . 1 1 84 84 ARG CB C 13 29.951 0.300 . 1 . . . . 84 ARG CB . 10127 1 1001 . 1 1 84 84 ARG CG C 13 27.575 0.300 . 1 . . . . 84 ARG CG . 10127 1 1002 . 1 1 84 84 ARG CD C 13 43.459 0.300 . 1 . . . . 84 ARG CD . 10127 1 1003 . 1 1 84 84 ARG N N 15 117.319 0.300 . 1 . . . . 84 ARG N . 10127 1 1004 . 1 1 85 85 SER H H 1 7.890 0.030 . 1 . . . . 85 SER H . 10127 1 1005 . 1 1 85 85 SER HA H 1 4.172 0.030 . 1 . . . . 85 SER HA . 10127 1 1006 . 1 1 85 85 SER HB2 H 1 4.032 0.030 . 2 . . . . 85 SER HB2 . 10127 1 1007 . 1 1 85 85 SER HB3 H 1 4.072 0.030 . 2 . . . . 85 SER HB3 . 10127 1 1008 . 1 1 85 85 SER C C 13 175.912 0.300 . 1 . . . . 85 SER C . 10127 1 1009 . 1 1 85 85 SER CA C 13 61.325 0.300 . 1 . . . . 85 SER CA . 10127 1 1010 . 1 1 85 85 SER CB C 13 63.325 0.300 . 1 . . . . 85 SER CB . 10127 1 1011 . 1 1 85 85 SER N N 15 113.886 0.300 . 1 . . . . 85 SER N . 10127 1 1012 . 1 1 86 86 ILE H H 1 7.634 0.030 . 1 . . . . 86 ILE H . 10127 1 1013 . 1 1 86 86 ILE HA H 1 3.886 0.030 . 1 . . . . 86 ILE HA . 10127 1 1014 . 1 1 86 86 ILE HB H 1 1.748 0.030 . 1 . . . . 86 ILE HB . 10127 1 1015 . 1 1 86 86 ILE HG12 H 1 1.010 0.030 . 2 . . . . 86 ILE HG12 . 10127 1 1016 . 1 1 86 86 ILE HG13 H 1 1.519 0.030 . 2 . . . . 86 ILE HG13 . 10127 1 1017 . 1 1 86 86 ILE HG21 H 1 0.693 0.030 . 1 . . . . 86 ILE HG2 . 10127 1 1018 . 1 1 86 86 ILE HG22 H 1 0.693 0.030 . 1 . . . . 86 ILE HG2 . 10127 1 1019 . 1 1 86 86 ILE HG23 H 1 0.693 0.030 . 1 . . . . 86 ILE HG2 . 10127 1 1020 . 1 1 86 86 ILE HD11 H 1 0.622 0.030 . 1 . . . . 86 ILE HD1 . 10127 1 1021 . 1 1 86 86 ILE HD12 H 1 0.622 0.030 . 1 . . . . 86 ILE HD1 . 10127 1 1022 . 1 1 86 86 ILE HD13 H 1 0.622 0.030 . 1 . . . . 86 ILE HD1 . 10127 1 1023 . 1 1 86 86 ILE C C 13 178.311 0.300 . 1 . . . . 86 ILE C . 10127 1 1024 . 1 1 86 86 ILE CA C 13 63.700 0.300 . 1 . . . . 86 ILE CA . 10127 1 1025 . 1 1 86 86 ILE CB C 13 37.977 0.300 . 1 . . . . 86 ILE CB . 10127 1 1026 . 1 1 86 86 ILE CG1 C 13 28.434 0.300 . 1 . . . . 86 ILE CG1 . 10127 1 1027 . 1 1 86 86 ILE CG2 C 13 17.146 0.300 . 1 . . . . 86 ILE CG2 . 10127 1 1028 . 1 1 86 86 ILE CD1 C 13 14.753 0.300 . 1 . . . . 86 ILE CD1 . 10127 1 1029 . 1 1 86 86 ILE N N 15 122.263 0.300 . 1 . . . . 86 ILE N . 10127 1 1030 . 1 1 87 87 ILE H H 1 7.703 0.030 . 1 . . . . 87 ILE H . 10127 1 1031 . 1 1 87 87 ILE HA H 1 3.789 0.030 . 1 . . . . 87 ILE HA . 10127 1 1032 . 1 1 87 87 ILE HB H 1 1.737 0.030 . 1 . . . . 87 ILE HB . 10127 1 1033 . 1 1 87 87 ILE HG12 H 1 1.007 0.030 . 2 . . . . 87 ILE HG12 . 10127 1 1034 . 1 1 87 87 ILE HG13 H 1 1.214 0.030 . 2 . . . . 87 ILE HG13 . 10127 1 1035 . 1 1 87 87 ILE HG21 H 1 0.713 0.030 . 1 . . . . 87 ILE HG2 . 10127 1 1036 . 1 1 87 87 ILE HG22 H 1 0.713 0.030 . 1 . . . . 87 ILE HG2 . 10127 1 1037 . 1 1 87 87 ILE HG23 H 1 0.713 0.030 . 1 . . . . 87 ILE HG2 . 10127 1 1038 . 1 1 87 87 ILE HD11 H 1 0.619 0.030 . 1 . . . . 87 ILE HD1 . 10127 1 1039 . 1 1 87 87 ILE HD12 H 1 0.619 0.030 . 1 . . . . 87 ILE HD1 . 10127 1 1040 . 1 1 87 87 ILE HD13 H 1 0.619 0.030 . 1 . . . . 87 ILE HD1 . 10127 1 1041 . 1 1 87 87 ILE C C 13 177.758 0.300 . 1 . . . . 87 ILE C . 10127 1 1042 . 1 1 87 87 ILE CA C 13 63.125 0.300 . 1 . . . . 87 ILE CA . 10127 1 1043 . 1 1 87 87 ILE CB C 13 37.450 0.300 . 1 . . . . 87 ILE CB . 10127 1 1044 . 1 1 87 87 ILE CG1 C 13 27.575 0.300 . 1 . . . . 87 ILE CG1 . 10127 1 1045 . 1 1 87 87 ILE CG2 C 13 17.618 0.300 . 1 . . . . 87 ILE CG2 . 10127 1 1046 . 1 1 87 87 ILE CD1 C 13 12.344 0.300 . 1 . . . . 87 ILE CD1 . 10127 1 1047 . 1 1 87 87 ILE N N 15 120.720 0.300 . 1 . . . . 87 ILE N . 10127 1 1048 . 1 1 88 88 LEU H H 1 7.916 0.030 . 1 . . . . 88 LEU H . 10127 1 1049 . 1 1 88 88 LEU HA H 1 4.187 0.030 . 1 . . . . 88 LEU HA . 10127 1 1050 . 1 1 88 88 LEU HB2 H 1 1.657 0.030 . 1 . . . . 88 LEU HB2 . 10127 1 1051 . 1 1 88 88 LEU HB3 H 1 1.657 0.030 . 1 . . . . 88 LEU HB3 . 10127 1 1052 . 1 1 88 88 LEU HD21 H 1 0.791 0.030 . 1 . . . . 88 LEU HD2 . 10127 1 1053 . 1 1 88 88 LEU HD22 H 1 0.791 0.030 . 1 . . . . 88 LEU HD2 . 10127 1 1054 . 1 1 88 88 LEU HD23 H 1 0.791 0.030 . 1 . . . . 88 LEU HD2 . 10127 1 1055 . 1 1 88 88 LEU C C 13 177.635 0.300 . 1 . . . . 88 LEU C . 10127 1 1056 . 1 1 88 88 LEU CA C 13 55.825 0.300 . 1 . . . . 88 LEU CA . 10127 1 1057 . 1 1 88 88 LEU CB C 13 41.700 0.300 . 1 . . . . 88 LEU CB . 10127 1 1058 . 1 1 88 88 LEU CG C 13 27.031 0.300 . 1 . . . . 88 LEU CG . 10127 1 1059 . 1 1 88 88 LEU CD2 C 13 22.892 0.300 . 2 . . . . 88 LEU CD2 . 10127 1 1060 . 1 1 88 88 LEU N N 15 120.290 0.300 . 1 . . . . 88 LEU N . 10127 1 1061 . 1 1 89 89 ASN H H 1 7.951 0.030 . 1 . . . . 89 ASN H . 10127 1 1062 . 1 1 89 89 ASN HA H 1 4.541 0.030 . 1 . . . . 89 ASN HA . 10127 1 1063 . 1 1 89 89 ASN HB2 H 1 2.765 0.030 . 2 . . . . 89 ASN HB2 . 10127 1 1064 . 1 1 89 89 ASN HB3 H 1 2.904 0.030 . 2 . . . . 89 ASN HB3 . 10127 1 1065 . 1 1 89 89 ASN HD21 H 1 6.868 0.030 . 2 . . . . 89 ASN HD21 . 10127 1 1066 . 1 1 89 89 ASN HD22 H 1 7.592 0.030 . 2 . . . . 89 ASN HD22 . 10127 1 1067 . 1 1 89 89 ASN C C 13 175.625 0.300 . 1 . . . . 89 ASN C . 10127 1 1068 . 1 1 89 89 ASN CA C 13 54.450 0.300 . 1 . . . . 89 ASN CA . 10127 1 1069 . 1 1 89 89 ASN CB C 13 38.335 0.300 . 1 . . . . 89 ASN CB . 10127 1 1070 . 1 1 89 89 ASN N N 15 117.167 0.300 . 1 . . . . 89 ASN N . 10127 1 1071 . 1 1 89 89 ASN ND2 N 15 112.641 0.300 . 1 . . . . 89 ASN ND2 . 10127 1 1072 . 1 1 90 90 GLU H H 1 8.244 0.030 . 1 . . . . 90 GLU H . 10127 1 1073 . 1 1 90 90 GLU HA H 1 4.175 0.030 . 1 . . . . 90 GLU HA . 10127 1 1074 . 1 1 90 90 GLU HB2 H 1 1.862 0.030 . 2 . . . . 90 GLU HB2 . 10127 1 1075 . 1 1 90 90 GLU HB3 H 1 1.968 0.030 . 2 . . . . 90 GLU HB3 . 10127 1 1076 . 1 1 90 90 GLU HG2 H 1 2.111 0.030 . 2 . . . . 90 GLU HG2 . 10127 1 1077 . 1 1 90 90 GLU HG3 H 1 2.162 0.030 . 2 . . . . 90 GLU HG3 . 10127 1 1078 . 1 1 90 90 GLU C C 13 176.642 0.300 . 1 . . . . 90 GLU C . 10127 1 1079 . 1 1 90 90 GLU CA C 13 57.133 0.300 . 1 . . . . 90 GLU CA . 10127 1 1080 . 1 1 90 90 GLU CB C 13 30.197 0.300 . 1 . . . . 90 GLU CB . 10127 1 1081 . 1 1 90 90 GLU CG C 13 36.351 0.300 . 1 . . . . 90 GLU CG . 10127 1 1082 . 1 1 90 90 GLU N N 15 119.071 0.300 . 1 . . . . 90 GLU N . 10127 1 1083 . 1 1 91 91 TYR H H 1 7.938 0.030 . 1 . . . . 91 TYR H . 10127 1 1084 . 1 1 91 91 TYR HA H 1 4.349 0.030 . 1 . . . . 91 TYR HA . 10127 1 1085 . 1 1 91 91 TYR HB2 H 1 2.957 0.030 . 2 . . . . 91 TYR HB2 . 10127 1 1086 . 1 1 91 91 TYR HB3 H 1 2.895 0.030 . 2 . . . . 91 TYR HB3 . 10127 1 1087 . 1 1 91 91 TYR HD1 H 1 6.935 0.030 . 1 . . . . 91 TYR HD1 . 10127 1 1088 . 1 1 91 91 TYR HD2 H 1 6.935 0.030 . 1 . . . . 91 TYR HD2 . 10127 1 1089 . 1 1 91 91 TYR HE1 H 1 6.653 0.030 . 1 . . . . 91 TYR HE1 . 10127 1 1090 . 1 1 91 91 TYR HE2 H 1 6.653 0.030 . 1 . . . . 91 TYR HE2 . 10127 1 1091 . 1 1 91 91 TYR C C 13 175.716 0.300 . 1 . . . . 91 TYR C . 10127 1 1092 . 1 1 91 91 TYR CA C 13 58.575 0.300 . 1 . . . . 91 TYR CA . 10127 1 1093 . 1 1 91 91 TYR CB C 13 38.323 0.300 . 1 . . . . 91 TYR CB . 10127 1 1094 . 1 1 91 91 TYR CD1 C 13 132.950 0.300 . 1 . . . . 91 TYR CD1 . 10127 1 1095 . 1 1 91 91 TYR CD2 C 13 132.950 0.300 . 1 . . . . 91 TYR CD2 . 10127 1 1096 . 1 1 91 91 TYR CE1 C 13 118.224 0.300 . 1 . . . . 91 TYR CE1 . 10127 1 1097 . 1 1 91 91 TYR CE2 C 13 118.224 0.300 . 1 . . . . 91 TYR CE2 . 10127 1 1098 . 1 1 91 91 TYR N N 15 120.290 0.300 . 1 . . . . 91 TYR N . 10127 1 1099 . 1 1 92 92 LYS H H 1 7.864 0.030 . 1 . . . . 92 LYS H . 10127 1 1100 . 1 1 92 92 LYS HA H 1 4.147 0.030 . 1 . . . . 92 LYS HA . 10127 1 1101 . 1 1 92 92 LYS HB2 H 1 1.718 0.030 . 1 . . . . 92 LYS HB2 . 10127 1 1102 . 1 1 92 92 LYS HB3 H 1 1.718 0.030 . 1 . . . . 92 LYS HB3 . 10127 1 1103 . 1 1 92 92 LYS HG2 H 1 1.280 0.030 . 1 . . . . 92 LYS HG2 . 10127 1 1104 . 1 1 92 92 LYS HG3 H 1 1.280 0.030 . 1 . . . . 92 LYS HG3 . 10127 1 1105 . 1 1 92 92 LYS HD2 H 1 1.587 0.030 . 1 . . . . 92 LYS HD2 . 10127 1 1106 . 1 1 92 92 LYS HD3 H 1 1.587 0.030 . 1 . . . . 92 LYS HD3 . 10127 1 1107 . 1 1 92 92 LYS HE2 H 1 2.908 0.030 . 1 . . . . 92 LYS HE2 . 10127 1 1108 . 1 1 92 92 LYS HE3 H 1 2.908 0.030 . 1 . . . . 92 LYS HE3 . 10127 1 1109 . 1 1 92 92 LYS C C 13 175.954 0.300 . 1 . . . . 92 LYS C . 10127 1 1110 . 1 1 92 92 LYS CA C 13 56.200 0.300 . 1 . . . . 92 LYS CA . 10127 1 1111 . 1 1 92 92 LYS CB C 13 33.165 0.300 . 1 . . . . 92 LYS CB . 10127 1 1112 . 1 1 92 92 LYS CG C 13 24.685 0.300 . 1 . . . . 92 LYS CG . 10127 1 1113 . 1 1 92 92 LYS CD C 13 29.085 0.300 . 1 . . . . 92 LYS CD . 10127 1 1114 . 1 1 92 92 LYS CE C 13 42.222 0.300 . 1 . . . . 92 LYS CE . 10127 1 1115 . 1 1 92 92 LYS N N 15 122.880 0.300 . 1 . . . . 92 LYS N . 10127 1 1116 . 1 1 93 93 ARG H H 1 8.114 0.030 . 1 . . . . 93 ARG H . 10127 1 1117 . 1 1 93 93 ARG HA H 1 4.156 0.030 . 1 . . . . 93 ARG HA . 10127 1 1118 . 1 1 93 93 ARG HB2 H 1 1.724 0.030 . 1 . . . . 93 ARG HB2 . 10127 1 1119 . 1 1 93 93 ARG HB3 H 1 1.724 0.030 . 1 . . . . 93 ARG HB3 . 10127 1 1120 . 1 1 93 93 ARG C C 13 176.564 0.300 . 1 . . . . 93 ARG C . 10127 1 1121 . 1 1 93 93 ARG CA C 13 56.512 0.300 . 1 . . . . 93 ARG CA . 10127 1 1122 . 1 1 93 93 ARG CB C 13 30.879 0.300 . 1 . . . . 93 ARG CB . 10127 1 1123 . 1 1 93 93 ARG N N 15 121.777 0.300 . 1 . . . . 93 ARG N . 10127 1 1124 . 1 1 94 94 CYS HA H 1 4.457 0.030 . 1 . . . . 94 CYS HA . 10127 1 1125 . 1 1 94 94 CYS HB2 H 1 2.881 0.030 . 1 . . . . 94 CYS HB2 . 10127 1 1126 . 1 1 94 94 CYS HB3 H 1 2.881 0.030 . 1 . . . . 94 CYS HB3 . 10127 1 1127 . 1 1 94 94 CYS C C 13 174.397 0.300 . 1 . . . . 94 CYS C . 10127 1 1128 . 1 1 94 94 CYS CA C 13 58.565 0.300 . 1 . . . . 94 CYS CA . 10127 1 1129 . 1 1 94 94 CYS CB C 13 27.971 0.300 . 1 . . . . 94 CYS CB . 10127 1 1130 . 1 1 95 95 ASP H H 1 8.314 0.030 . 1 . . . . 95 ASP H . 10127 1 1131 . 1 1 95 95 ASP HA H 1 4.543 0.030 . 1 . . . . 95 ASP HA . 10127 1 1132 . 1 1 95 95 ASP HB2 H 1 2.666 0.030 . 1 . . . . 95 ASP HB2 . 10127 1 1133 . 1 1 95 95 ASP HB3 H 1 2.666 0.030 . 1 . . . . 95 ASP HB3 . 10127 1 1134 . 1 1 95 95 ASP C C 13 176.723 0.300 . 1 . . . . 95 ASP C . 10127 1 1135 . 1 1 95 95 ASP CA C 13 54.354 0.300 . 1 . . . . 95 ASP CA . 10127 1 1136 . 1 1 95 95 ASP CB C 13 41.307 0.300 . 1 . . . . 95 ASP CB . 10127 1 1137 . 1 1 95 95 ASP N N 15 122.510 0.300 . 1 . . . . 95 ASP N . 10127 1 1138 . 1 1 96 96 GLY H H 1 8.367 0.030 . 1 . . . . 96 GLY H . 10127 1 1139 . 1 1 96 96 GLY HA2 H 1 3.894 0.030 . 1 . . . . 96 GLY HA2 . 10127 1 1140 . 1 1 96 96 GLY HA3 H 1 3.894 0.030 . 1 . . . . 96 GLY HA3 . 10127 1 1141 . 1 1 96 96 GLY C C 13 174.531 0.300 . 1 . . . . 96 GLY C . 10127 1 1142 . 1 1 96 96 GLY CA C 13 45.568 0.300 . 1 . . . . 96 GLY CA . 10127 1 1143 . 1 1 96 96 GLY N N 15 109.304 0.300 . 1 . . . . 96 GLY N . 10127 1 1144 . 1 1 97 97 ARG H H 1 8.112 0.030 . 1 . . . . 97 ARG H . 10127 1 1145 . 1 1 97 97 ARG HA H 1 4.277 0.030 . 1 . . . . 97 ARG HA . 10127 1 1146 . 1 1 97 97 ARG HB2 H 1 1.821 0.030 . 2 . . . . 97 ARG HB2 . 10127 1 1147 . 1 1 97 97 ARG HB3 H 1 1.727 0.030 . 2 . . . . 97 ARG HB3 . 10127 1 1148 . 1 1 97 97 ARG HG2 H 1 1.556 0.030 . 1 . . . . 97 ARG HG2 . 10127 1 1149 . 1 1 97 97 ARG HG3 H 1 1.556 0.030 . 1 . . . . 97 ARG HG3 . 10127 1 1150 . 1 1 97 97 ARG HD2 H 1 3.137 0.030 . 1 . . . . 97 ARG HD2 . 10127 1 1151 . 1 1 97 97 ARG HD3 H 1 3.137 0.030 . 1 . . . . 97 ARG HD3 . 10127 1 1152 . 1 1 97 97 ARG C C 13 176.203 0.300 . 1 . . . . 97 ARG C . 10127 1 1153 . 1 1 97 97 ARG CA C 13 56.353 0.300 . 1 . . . . 97 ARG CA . 10127 1 1154 . 1 1 97 97 ARG CB C 13 30.839 0.300 . 1 . . . . 97 ARG CB . 10127 1 1155 . 1 1 97 97 ARG CG C 13 27.031 0.300 . 1 . . . . 97 ARG CG . 10127 1 1156 . 1 1 97 97 ARG CD C 13 43.258 0.300 . 1 . . . . 97 ARG CD . 10127 1 1157 . 1 1 97 97 ARG N N 15 120.379 0.300 . 1 . . . . 97 ARG N . 10127 1 1158 . 1 1 98 98 ASP H H 1 8.446 0.030 . 1 . . . . 98 ASP H . 10127 1 1159 . 1 1 98 98 ASP HA H 1 4.546 0.030 . 1 . . . . 98 ASP HA . 10127 1 1160 . 1 1 98 98 ASP HB2 H 1 2.662 0.030 . 1 . . . . 98 ASP HB2 . 10127 1 1161 . 1 1 98 98 ASP HB3 H 1 2.662 0.030 . 1 . . . . 98 ASP HB3 . 10127 1 1162 . 1 1 98 98 ASP C C 13 176.197 0.300 . 1 . . . . 98 ASP C . 10127 1 1163 . 1 1 98 98 ASP CA C 13 54.439 0.300 . 1 . . . . 98 ASP CA . 10127 1 1164 . 1 1 98 98 ASP CB C 13 41.338 0.300 . 1 . . . . 98 ASP CB . 10127 1 1165 . 1 1 98 98 ASP N N 15 121.065 0.300 . 1 . . . . 98 ASP N . 10127 1 1166 . 1 1 99 99 SER H H 1 8.194 0.030 . 1 . . . . 99 SER H . 10127 1 1167 . 1 1 99 99 SER HA H 1 4.816 0.030 . 1 . . . . 99 SER HA . 10127 1 1168 . 1 1 99 99 SER C C 13 174.659 0.300 . 1 . . . . 99 SER C . 10127 1 1169 . 1 1 99 99 SER CA C 13 58.392 0.300 . 1 . . . . 99 SER CA . 10127 1 1170 . 1 1 99 99 SER CB C 13 64.161 0.300 . 1 . . . . 99 SER CB . 10127 1 1171 . 1 1 99 99 SER N N 15 116.053 0.300 . 1 . . . . 99 SER N . 10127 1 1172 . 1 1 101 101 PRO HA H 1 4.432 0.030 . 1 . . . . 101 PRO HA . 10127 1 1173 . 1 1 101 101 PRO HB2 H 1 1.942 0.030 . 2 . . . . 101 PRO HB2 . 10127 1 1174 . 1 1 101 101 PRO HB3 H 1 2.239 0.030 . 2 . . . . 101 PRO HB3 . 10127 1 1175 . 1 1 101 101 PRO HG2 H 1 1.961 0.030 . 1 . . . . 101 PRO HG2 . 10127 1 1176 . 1 1 101 101 PRO HG3 H 1 1.961 0.030 . 1 . . . . 101 PRO HG3 . 10127 1 1177 . 1 1 101 101 PRO HD2 H 1 3.567 0.030 . 1 . . . . 101 PRO HD2 . 10127 1 1178 . 1 1 101 101 PRO HD3 H 1 3.567 0.030 . 1 . . . . 101 PRO HD3 . 10127 1 1179 . 1 1 101 101 PRO C C 13 177.366 0.300 . 1 . . . . 101 PRO C . 10127 1 1180 . 1 1 101 101 PRO CA C 13 63.246 0.300 . 1 . . . . 101 PRO CA . 10127 1 1181 . 1 1 101 101 PRO CB C 13 32.213 0.300 . 1 . . . . 101 PRO CB . 10127 1 1182 . 1 1 101 101 PRO CG C 13 27.111 0.300 . 1 . . . . 101 PRO CG . 10127 1 1183 . 1 1 101 101 PRO CD C 13 49.756 0.300 . 1 . . . . 101 PRO CD . 10127 1 1184 . 1 1 102 102 SER H H 1 8.543 0.030 . 1 . . . . 102 SER H . 10127 1 1185 . 1 1 102 102 SER C C 13 177.456 0.300 . 1 . . . . 102 SER C . 10127 1 1186 . 1 1 102 102 SER N N 15 116.513 0.300 . 1 . . . . 102 SER N . 10127 1 1187 . 1 1 103 103 SER CA C 13 58.368 0.300 . 1 . . . . 103 SER CA . 10127 1 1188 . 1 1 103 103 SER CB C 13 64.077 0.300 . 1 . . . . 103 SER CB . 10127 1 1189 . 1 1 104 104 GLY H H 1 8.058 0.030 . 1 . . . . 104 GLY H . 10127 1 1190 . 1 1 104 104 GLY CA C 13 46.147 0.300 . 1 . . . . 104 GLY CA . 10127 1 1191 . 1 1 104 104 GLY N N 15 116.852 0.300 . 1 . . . . 104 GLY N . 10127 1 stop_ save_