data_11497 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11497 _Entry.Title ; Solution structure of the chromodomain of Swi6 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-04-18 _Entry.Accession_date 2012-04-18 _Entry.Last_release_date 2012-08-27 _Entry.Original_release_date 2012-08-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1.1.21 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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 Hideaki Shimojo . . . 11497 2 Yoshifumi Nishimura . . . 11497 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 11497 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID chromatin . 11497 chromodomain . 11497 'Chromosomal protein' . 11497 Methylation . 11497 Silencing . 11497 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11497 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 386 11497 '15N chemical shifts' 90 11497 '1H chemical shifts' 579 11497 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 . . 2012-08-27 2012-04-18 original author . 11497 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 11496 'Solution structure of the chromodomain of Chp1 in complex with H3K9me3 peptide' 11497 PDB 2RSO 'BMRB Entry Tracking System' 11497 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 11497 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22727667 _Citation.Full_citation . _Citation.Title 'Intrinsic nucleic Acid-binding activity of chp1 chromodomain is required for heterochromatic gene silencing' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Cell' _Citation.Journal_name_full . _Citation.Journal_volume 47 _Citation.Journal_issue 2 _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 228 _Citation.Page_last 241 _Citation.Year 2012 _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 Mayumi Ishida . . . 11497 1 2 Hideaki Shimojo . . . 11497 1 3 Aki Hayashi . . . 11497 1 4 Rika Kawaguchi . . . 11497 1 5 Yasuko Ohtani . . . 11497 1 6 Koichi Uegaki . . . 11497 1 7 Yoshifumi Nishimura . . . 11497 1 8 Jun-ichi Nakayama . . . 11497 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11497 _Assembly.ID 1 _Assembly.Name 'the chromodomain of Swi6' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . 11497 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 11497 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMESKSSSKKLKENAKEE EGGEEEEEDEYVVEKVLKHR MARKGGGYEYLLKWEGYDDP SDNTWSSEADCSGCKQLIEA YWNEHGGRPEPS ; _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 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10503.414 _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 2RSO . "Solution Structure Of The Chromodomain Of Swi6" . . . . . 100.00 92 100.00 100.00 1.87e-57 . . . . 11497 1 2 no EMBL CAA50668 . "swi6 [Schizosaccharomyces pombe]" . . . . . 98.91 328 97.80 97.80 5.72e-54 . . . . 11497 1 3 no EMBL CAB57340 . "chromodomain protein Swi6 [Schizosaccharomyces pombe]" . . . . . 98.91 328 97.80 97.80 5.72e-54 . . . . 11497 1 4 no REF NP_593449 . "chromodomain protein Swi6 [Schizosaccharomyces pombe 972h-]" . . . . . 98.91 328 97.80 97.80 5.72e-54 . . . . 11497 1 5 no SP P40381 . "RecName: Full=Chromatin-associated protein swi6" . . . . . 98.91 328 97.80 97.80 5.72e-54 . . . . 11497 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 51 GLY . 11497 1 2 52 SER . 11497 1 3 53 HIS . 11497 1 4 54 MET . 11497 1 5 55 GLU . 11497 1 6 56 SER . 11497 1 7 57 LYS . 11497 1 8 58 SER . 11497 1 9 59 SER . 11497 1 10 60 SER . 11497 1 11 61 LYS . 11497 1 12 62 LYS . 11497 1 13 63 LEU . 11497 1 14 64 LYS . 11497 1 15 65 GLU . 11497 1 16 66 ASN . 11497 1 17 67 ALA . 11497 1 18 68 LYS . 11497 1 19 69 GLU . 11497 1 20 70 GLU . 11497 1 21 71 GLU . 11497 1 22 72 GLY . 11497 1 23 73 GLY . 11497 1 24 74 GLU . 11497 1 25 75 GLU . 11497 1 26 76 GLU . 11497 1 27 77 GLU . 11497 1 28 78 GLU . 11497 1 29 79 ASP . 11497 1 30 80 GLU . 11497 1 31 81 TYR . 11497 1 32 82 VAL . 11497 1 33 83 VAL . 11497 1 34 84 GLU . 11497 1 35 85 LYS . 11497 1 36 86 VAL . 11497 1 37 87 LEU . 11497 1 38 88 LYS . 11497 1 39 89 HIS . 11497 1 40 90 ARG . 11497 1 41 91 MET . 11497 1 42 92 ALA . 11497 1 43 93 ARG . 11497 1 44 94 LYS . 11497 1 45 95 GLY . 11497 1 46 96 GLY . 11497 1 47 97 GLY . 11497 1 48 98 TYR . 11497 1 49 99 GLU . 11497 1 50 100 TYR . 11497 1 51 101 LEU . 11497 1 52 102 LEU . 11497 1 53 103 LYS . 11497 1 54 104 TRP . 11497 1 55 105 GLU . 11497 1 56 106 GLY . 11497 1 57 107 TYR . 11497 1 58 108 ASP . 11497 1 59 109 ASP . 11497 1 60 110 PRO . 11497 1 61 111 SER . 11497 1 62 112 ASP . 11497 1 63 113 ASN . 11497 1 64 114 THR . 11497 1 65 115 TRP . 11497 1 66 116 SER . 11497 1 67 117 SER . 11497 1 68 118 GLU . 11497 1 69 119 ALA . 11497 1 70 120 ASP . 11497 1 71 121 CYS . 11497 1 72 122 SER . 11497 1 73 123 GLY . 11497 1 74 124 CYS . 11497 1 75 125 LYS . 11497 1 76 126 GLN . 11497 1 77 127 LEU . 11497 1 78 128 ILE . 11497 1 79 129 GLU . 11497 1 80 130 ALA . 11497 1 81 131 TYR . 11497 1 82 132 TRP . 11497 1 83 133 ASN . 11497 1 84 134 GLU . 11497 1 85 135 HIS . 11497 1 86 136 GLY . 11497 1 87 137 GLY . 11497 1 88 138 ARG . 11497 1 89 139 PRO . 11497 1 90 140 GLU . 11497 1 91 141 PRO . 11497 1 92 142 SER . 11497 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 11497 1 . SER 2 2 11497 1 . HIS 3 3 11497 1 . MET 4 4 11497 1 . GLU 5 5 11497 1 . SER 6 6 11497 1 . LYS 7 7 11497 1 . SER 8 8 11497 1 . SER 9 9 11497 1 . SER 10 10 11497 1 . LYS 11 11 11497 1 . LYS 12 12 11497 1 . LEU 13 13 11497 1 . LYS 14 14 11497 1 . GLU 15 15 11497 1 . ASN 16 16 11497 1 . ALA 17 17 11497 1 . LYS 18 18 11497 1 . GLU 19 19 11497 1 . GLU 20 20 11497 1 . GLU 21 21 11497 1 . GLY 22 22 11497 1 . GLY 23 23 11497 1 . GLU 24 24 11497 1 . GLU 25 25 11497 1 . GLU 26 26 11497 1 . GLU 27 27 11497 1 . GLU 28 28 11497 1 . ASP 29 29 11497 1 . GLU 30 30 11497 1 . TYR 31 31 11497 1 . VAL 32 32 11497 1 . VAL 33 33 11497 1 . GLU 34 34 11497 1 . LYS 35 35 11497 1 . VAL 36 36 11497 1 . LEU 37 37 11497 1 . LYS 38 38 11497 1 . HIS 39 39 11497 1 . ARG 40 40 11497 1 . MET 41 41 11497 1 . ALA 42 42 11497 1 . ARG 43 43 11497 1 . LYS 44 44 11497 1 . GLY 45 45 11497 1 . GLY 46 46 11497 1 . GLY 47 47 11497 1 . TYR 48 48 11497 1 . GLU 49 49 11497 1 . TYR 50 50 11497 1 . LEU 51 51 11497 1 . LEU 52 52 11497 1 . LYS 53 53 11497 1 . TRP 54 54 11497 1 . GLU 55 55 11497 1 . GLY 56 56 11497 1 . TYR 57 57 11497 1 . ASP 58 58 11497 1 . ASP 59 59 11497 1 . PRO 60 60 11497 1 . SER 61 61 11497 1 . ASP 62 62 11497 1 . ASN 63 63 11497 1 . THR 64 64 11497 1 . TRP 65 65 11497 1 . SER 66 66 11497 1 . SER 67 67 11497 1 . GLU 68 68 11497 1 . ALA 69 69 11497 1 . ASP 70 70 11497 1 . CYS 71 71 11497 1 . SER 72 72 11497 1 . GLY 73 73 11497 1 . CYS 74 74 11497 1 . LYS 75 75 11497 1 . GLN 76 76 11497 1 . LEU 77 77 11497 1 . ILE 78 78 11497 1 . GLU 79 79 11497 1 . ALA 80 80 11497 1 . TYR 81 81 11497 1 . TRP 82 82 11497 1 . ASN 83 83 11497 1 . GLU 84 84 11497 1 . HIS 85 85 11497 1 . GLY 86 86 11497 1 . GLY 87 87 11497 1 . ARG 88 88 11497 1 . PRO 89 89 11497 1 . GLU 90 90 11497 1 . PRO 91 91 11497 1 . SER 92 92 11497 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 11497 _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 . 4896 organism . 'Schizosaccharomyces pombe' 'fission yeast' . . Eukaryota Fungi Schizosaccharomyces pombe . . . . . . . . . . . . . . . . . . . . . 11497 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 11497 _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 . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . pCOLD . . . . . . 11497 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11497 _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 Swi6-CD '[U-99% 13C; U-99% 15N]' . . 1 $entity . protein . 0.3 0.5 mM . . . . 11497 1 2 'potassium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 11497 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 11497 1 4 DTT '[U-100% 2H]' . . . . . . 5 . . mM . . . . 11497 1 5 H2O . . . . . . solvent 90 . . % . . . . 11497 1 6 D2O . . . . . . solvent 10 . . % . . . . 11497 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 11497 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 . pH 11497 1 pressure 1 . atm 11497 1 temperature 298 . K 11497 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11497 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11497 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11497 1 stop_ save_ save_Olivia _Software.Sf_category software _Software.Sf_framecode Olivia _Software.Entry_ID 11497 _Software.ID 2 _Software.Name Olivia _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Yokochi, Sekiguchi and Inagaki' . . 11497 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11497 2 'data analysis' 11497 2 'peak picking' 11497 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11497 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11497 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11497 3 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 11497 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 11497 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 11497 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 11497 1 2 spectrometer_2 Bruker Avance . 700 . . . 11497 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 11497 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11497 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11497 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11497 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11497 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11497 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11497 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11497 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11497 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11497 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11497 1 11 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11497 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11497 1 13 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11497 1 14 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11497 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 11497 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.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 0.00 na indirect 0.251449530 . . . . . . . . . 11497 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 11497 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 11497 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11497 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 11497 1 2 '2D 1H-13C HSQC aliphatic' . . . 11497 1 3 '2D 1H-13C HSQC aromatic' . . . 11497 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 HIS HD2 H 1 7.038 0.040 . 1 . . . A 53 HIS HD2 . 11497 1 2 . 1 1 3 3 HIS HE1 H 1 8.151 0.040 . 1 . . . A 53 HIS HE1 . 11497 1 3 . 1 1 3 3 HIS CD2 C 13 119.727 0.450 . 1 . . . A 53 HIS CD2 . 11497 1 4 . 1 1 3 3 HIS CE1 C 13 136.515 0.450 . 1 . . . A 53 HIS CE1 . 11497 1 5 . 1 1 4 4 MET HA H 1 4.255 0.040 . 1 . . . A 54 MET HA . 11497 1 6 . 1 1 4 4 MET HB2 H 1 1.741 0.040 . 2 . . . A 54 MET HB2 . 11497 1 7 . 1 1 4 4 MET HB3 H 1 1.741 0.040 . 2 . . . A 54 MET HB3 . 11497 1 8 . 1 1 4 4 MET HG2 H 1 2.231 0.040 . 2 . . . A 54 MET HG2 . 11497 1 9 . 1 1 4 4 MET HG3 H 1 2.231 0.040 . 2 . . . A 54 MET HG3 . 11497 1 10 . 1 1 4 4 MET HE1 H 1 1.940 0.040 . 1 . . . A 54 MET HE1 . 11497 1 11 . 1 1 4 4 MET HE2 H 1 1.940 0.040 . 1 . . . A 54 MET HE2 . 11497 1 12 . 1 1 4 4 MET HE3 H 1 1.940 0.040 . 1 . . . A 54 MET HE3 . 11497 1 13 . 1 1 4 4 MET C C 13 176.648 0.450 . 1 . . . A 54 MET C . 11497 1 14 . 1 1 4 4 MET CA C 13 56.296 0.450 . 1 . . . A 54 MET CA . 11497 1 15 . 1 1 4 4 MET CB C 13 32.954 0.450 . 1 . . . A 54 MET CB . 11497 1 16 . 1 1 4 4 MET CG C 13 32.988 0.450 . 1 . . . A 54 MET CG . 11497 1 17 . 1 1 4 4 MET CE C 13 16.809 0.450 . 1 . . . A 54 MET CE . 11497 1 18 . 1 1 5 5 GLU H H 1 8.495 0.040 . 1 . . . A 55 GLU H . 11497 1 19 . 1 1 5 5 GLU HA H 1 4.250 0.040 . 1 . . . A 55 GLU HA . 11497 1 20 . 1 1 5 5 GLU HB2 H 1 2.010 0.040 . 2 . . . A 55 GLU HB2 . 11497 1 21 . 1 1 5 5 GLU HB3 H 1 1.874 0.040 . 2 . . . A 55 GLU HB3 . 11497 1 22 . 1 1 5 5 GLU HG2 H 1 2.389 0.040 . 2 . . . A 55 GLU HG2 . 11497 1 23 . 1 1 5 5 GLU HG3 H 1 2.389 0.040 . 2 . . . A 55 GLU HG3 . 11497 1 24 . 1 1 5 5 GLU C C 13 176.465 0.450 . 1 . . . A 55 GLU C . 11497 1 25 . 1 1 5 5 GLU CA C 13 56.927 0.450 . 1 . . . A 55 GLU CA . 11497 1 26 . 1 1 5 5 GLU CB C 13 30.313 0.450 . 1 . . . A 55 GLU CB . 11497 1 27 . 1 1 5 5 GLU CG C 13 36.182 0.450 . 1 . . . A 55 GLU CG . 11497 1 28 . 1 1 5 5 GLU N N 15 121.851 0.450 . 1 . . . A 55 GLU N . 11497 1 29 . 1 1 6 6 SER H H 1 8.329 0.040 . 1 . . . A 56 SER H . 11497 1 30 . 1 1 6 6 SER HA H 1 4.404 0.040 . 1 . . . A 56 SER HA . 11497 1 31 . 1 1 6 6 SER HB2 H 1 3.841 0.040 . 2 . . . A 56 SER HB2 . 11497 1 32 . 1 1 6 6 SER HB3 H 1 3.841 0.040 . 2 . . . A 56 SER HB3 . 11497 1 33 . 1 1 6 6 SER C C 13 174.783 0.450 . 1 . . . A 56 SER C . 11497 1 34 . 1 1 6 6 SER CA C 13 58.604 0.450 . 1 . . . A 56 SER CA . 11497 1 35 . 1 1 6 6 SER CB C 13 63.580 0.450 . 1 . . . A 56 SER CB . 11497 1 36 . 1 1 6 6 SER N N 15 116.755 0.450 . 1 . . . A 56 SER N . 11497 1 37 . 1 1 7 7 LYS H H 1 8.356 0.040 . 1 . . . A 57 LYS H . 11497 1 38 . 1 1 7 7 LYS HA H 1 4.293 0.040 . 1 . . . A 57 LYS HA . 11497 1 39 . 1 1 7 7 LYS HB2 H 1 1.978 0.040 . 2 . . . A 57 LYS HB2 . 11497 1 40 . 1 1 7 7 LYS HB3 H 1 1.871 0.040 . 2 . . . A 57 LYS HB3 . 11497 1 41 . 1 1 7 7 LYS HG2 H 1 1.269 0.040 . 2 . . . A 57 LYS HG2 . 11497 1 42 . 1 1 7 7 LYS HG3 H 1 1.269 0.040 . 2 . . . A 57 LYS HG3 . 11497 1 43 . 1 1 7 7 LYS HD2 H 1 1.666 0.040 . 2 . . . A 57 LYS HD2 . 11497 1 44 . 1 1 7 7 LYS HD3 H 1 1.666 0.040 . 2 . . . A 57 LYS HD3 . 11497 1 45 . 1 1 7 7 LYS HE2 H 1 2.854 0.040 . 2 . . . A 57 LYS HE2 . 11497 1 46 . 1 1 7 7 LYS HE3 H 1 2.854 0.040 . 2 . . . A 57 LYS HE3 . 11497 1 47 . 1 1 7 7 LYS C C 13 176.809 0.450 . 1 . . . A 57 LYS C . 11497 1 48 . 1 1 7 7 LYS CA C 13 56.785 0.450 . 1 . . . A 57 LYS CA . 11497 1 49 . 1 1 7 7 LYS CB C 13 32.629 0.450 . 1 . . . A 57 LYS CB . 11497 1 50 . 1 1 7 7 LYS CG C 13 24.712 0.450 . 1 . . . A 57 LYS CG . 11497 1 51 . 1 1 7 7 LYS CD C 13 28.398 0.450 . 1 . . . A 57 LYS CD . 11497 1 52 . 1 1 7 7 LYS CE C 13 42.184 0.450 . 1 . . . A 57 LYS CE . 11497 1 53 . 1 1 7 7 LYS N N 15 123.323 0.450 . 1 . . . A 57 LYS N . 11497 1 54 . 1 1 8 8 SER H H 1 8.334 0.040 . 1 . . . A 58 SER H . 11497 1 55 . 1 1 8 8 SER HA H 1 4.400 0.040 . 1 . . . A 58 SER HA . 11497 1 56 . 1 1 8 8 SER HB2 H 1 3.844 0.040 . 2 . . . A 58 SER HB2 . 11497 1 57 . 1 1 8 8 SER HB3 H 1 3.844 0.040 . 2 . . . A 58 SER HB3 . 11497 1 58 . 1 1 8 8 SER C C 13 176.616 0.450 . 1 . . . A 58 SER C . 11497 1 59 . 1 1 8 8 SER CA C 13 58.689 0.450 . 1 . . . A 58 SER CA . 11497 1 60 . 1 1 8 8 SER CB C 13 63.620 0.450 . 1 . . . A 58 SER CB . 11497 1 61 . 1 1 8 8 SER N N 15 116.452 0.450 . 1 . . . A 58 SER N . 11497 1 62 . 1 1 9 9 SER H H 1 8.339 0.040 . 1 . . . A 59 SER H . 11497 1 63 . 1 1 9 9 SER HA H 1 4.444 0.040 . 1 . . . A 59 SER HA . 11497 1 64 . 1 1 9 9 SER HB2 H 1 3.855 0.040 . 2 . . . A 59 SER HB2 . 11497 1 65 . 1 1 9 9 SER HB3 H 1 3.855 0.040 . 2 . . . A 59 SER HB3 . 11497 1 66 . 1 1 9 9 SER C C 13 174.812 0.450 . 1 . . . A 59 SER C . 11497 1 67 . 1 1 9 9 SER CA C 13 58.523 0.450 . 1 . . . A 59 SER CA . 11497 1 68 . 1 1 9 9 SER CB C 13 63.697 0.450 . 1 . . . A 59 SER CB . 11497 1 69 . 1 1 9 9 SER N N 15 116.784 0.450 . 1 . . . A 59 SER N . 11497 1 70 . 1 1 10 10 SER H H 1 8.344 0.040 . 1 . . . A 60 SER H . 11497 1 71 . 1 1 10 10 SER HA H 1 4.393 0.040 . 1 . . . A 60 SER HA . 11497 1 72 . 1 1 10 10 SER HB2 H 1 3.834 0.040 . 2 . . . A 60 SER HB2 . 11497 1 73 . 1 1 10 10 SER HB3 H 1 3.834 0.040 . 2 . . . A 60 SER HB3 . 11497 1 74 . 1 1 10 10 SER C C 13 174.717 0.450 . 1 . . . A 60 SER C . 11497 1 75 . 1 1 10 10 SER CA C 13 58.262 0.450 . 1 . . . A 60 SER CA . 11497 1 76 . 1 1 10 10 SER CB C 13 63.749 0.450 . 1 . . . A 60 SER CB . 11497 1 77 . 1 1 10 10 SER N N 15 117.803 0.450 . 1 . . . A 60 SER N . 11497 1 78 . 1 1 11 11 LYS H H 1 8.227 0.040 . 1 . . . A 61 LYS H . 11497 1 79 . 1 1 11 11 LYS HA H 1 4.263 0.040 . 1 . . . A 61 LYS HA . 11497 1 80 . 1 1 11 11 LYS HB2 H 1 1.712 0.040 . 2 . . . A 61 LYS HB2 . 11497 1 81 . 1 1 11 11 LYS HB3 H 1 1.712 0.040 . 2 . . . A 61 LYS HB3 . 11497 1 82 . 1 1 11 11 LYS HG2 H 1 1.258 0.040 . 2 . . . A 61 LYS HG2 . 11497 1 83 . 1 1 11 11 LYS HG3 H 1 1.258 0.040 . 2 . . . A 61 LYS HG3 . 11497 1 84 . 1 1 11 11 LYS HD2 H 1 1.625 0.040 . 2 . . . A 61 LYS HD2 . 11497 1 85 . 1 1 11 11 LYS HD3 H 1 1.625 0.040 . 2 . . . A 61 LYS HD3 . 11497 1 86 . 1 1 11 11 LYS HE2 H 1 2.860 0.040 . 2 . . . A 61 LYS HE2 . 11497 1 87 . 1 1 11 11 LYS HE3 H 1 2.860 0.040 . 2 . . . A 61 LYS HE3 . 11497 1 88 . 1 1 11 11 LYS C C 13 176.530 0.450 . 1 . . . A 61 LYS C . 11497 1 89 . 1 1 11 11 LYS CA C 13 56.279 0.450 . 1 . . . A 61 LYS CA . 11497 1 90 . 1 1 11 11 LYS CB C 13 32.763 0.450 . 1 . . . A 61 LYS CB . 11497 1 91 . 1 1 11 11 LYS CG C 13 24.650 0.450 . 1 . . . A 61 LYS CG . 11497 1 92 . 1 1 11 11 LYS CD C 13 30.032 0.450 . 1 . . . A 61 LYS CD . 11497 1 93 . 1 1 11 11 LYS CE C 13 41.852 0.450 . 1 . . . A 61 LYS CE . 11497 1 94 . 1 1 11 11 LYS N N 15 123.228 0.450 . 1 . . . A 61 LYS N . 11497 1 95 . 1 1 12 12 LYS H H 1 8.252 0.040 . 1 . . . A 62 LYS H . 11497 1 96 . 1 1 12 12 LYS HA H 1 4.231 0.040 . 1 . . . A 62 LYS HA . 11497 1 97 . 1 1 12 12 LYS HB2 H 1 1.713 0.040 . 2 . . . A 62 LYS HB2 . 11497 1 98 . 1 1 12 12 LYS HB3 H 1 1.713 0.040 . 2 . . . A 62 LYS HB3 . 11497 1 99 . 1 1 12 12 LYS HG2 H 1 1.302 0.040 . 2 . . . A 62 LYS HG2 . 11497 1 100 . 1 1 12 12 LYS HG3 H 1 1.302 0.040 . 2 . . . A 62 LYS HG3 . 11497 1 101 . 1 1 12 12 LYS HD2 H 1 1.558 0.040 . 2 . . . A 62 LYS HD2 . 11497 1 102 . 1 1 12 12 LYS HD3 H 1 1.558 0.040 . 2 . . . A 62 LYS HD3 . 11497 1 103 . 1 1 12 12 LYS HE2 H 1 2.877 0.040 . 2 . . . A 62 LYS HE2 . 11497 1 104 . 1 1 12 12 LYS HE3 H 1 2.877 0.040 . 2 . . . A 62 LYS HE3 . 11497 1 105 . 1 1 12 12 LYS C C 13 176.454 0.450 . 1 . . . A 62 LYS C . 11497 1 106 . 1 1 12 12 LYS CA C 13 56.264 0.450 . 1 . . . A 62 LYS CA . 11497 1 107 . 1 1 12 12 LYS CB C 13 32.914 0.450 . 1 . . . A 62 LYS CB . 11497 1 108 . 1 1 12 12 LYS CG C 13 24.802 0.450 . 1 . . . A 62 LYS CG . 11497 1 109 . 1 1 12 12 LYS CD C 13 28.959 0.450 . 1 . . . A 62 LYS CD . 11497 1 110 . 1 1 12 12 LYS CE C 13 41.784 0.450 . 1 . . . A 62 LYS CE . 11497 1 111 . 1 1 12 12 LYS N N 15 122.156 0.450 . 1 . . . A 62 LYS N . 11497 1 112 . 1 1 13 13 LEU H H 1 8.208 0.040 . 1 . . . A 63 LEU H . 11497 1 113 . 1 1 13 13 LEU HA H 1 4.298 0.040 . 1 . . . A 63 LEU HA . 11497 1 114 . 1 1 13 13 LEU HB2 H 1 1.618 0.040 . 2 . . . A 63 LEU HB2 . 11497 1 115 . 1 1 13 13 LEU HB3 H 1 1.532 0.040 . 2 . . . A 63 LEU HB3 . 11497 1 116 . 1 1 13 13 LEU HG H 1 1.589 0.040 . 1 . . . A 63 LEU HG . 11497 1 117 . 1 1 13 13 LEU HD11 H 1 0.874 0.040 . 2 . . . A 63 LEU HD11 . 11497 1 118 . 1 1 13 13 LEU HD12 H 1 0.874 0.040 . 2 . . . A 63 LEU HD12 . 11497 1 119 . 1 1 13 13 LEU HD13 H 1 0.874 0.040 . 2 . . . A 63 LEU HD13 . 11497 1 120 . 1 1 13 13 LEU HD21 H 1 0.816 0.040 . 2 . . . A 63 LEU HD21 . 11497 1 121 . 1 1 13 13 LEU HD22 H 1 0.816 0.040 . 2 . . . A 63 LEU HD22 . 11497 1 122 . 1 1 13 13 LEU HD23 H 1 0.816 0.040 . 2 . . . A 63 LEU HD23 . 11497 1 123 . 1 1 13 13 LEU C C 13 177.453 0.450 . 1 . . . A 63 LEU C . 11497 1 124 . 1 1 13 13 LEU CA C 13 55.085 0.450 . 1 . . . A 63 LEU CA . 11497 1 125 . 1 1 13 13 LEU CB C 13 42.233 0.450 . 1 . . . A 63 LEU CB . 11497 1 126 . 1 1 13 13 LEU CG C 13 26.612 0.450 . 1 . . . A 63 LEU CG . 11497 1 127 . 1 1 13 13 LEU CD1 C 13 24.916 0.450 . 1 . . . A 63 LEU CD1 . 11497 1 128 . 1 1 13 13 LEU CD2 C 13 23.424 0.450 . 1 . . . A 63 LEU CD2 . 11497 1 129 . 1 1 13 13 LEU N N 15 123.266 0.450 . 1 . . . A 63 LEU N . 11497 1 130 . 1 1 14 14 LYS H H 1 8.292 0.040 . 1 . . . A 64 LYS H . 11497 1 131 . 1 1 14 14 LYS HA H 1 4.240 0.040 . 1 . . . A 64 LYS HA . 11497 1 132 . 1 1 14 14 LYS HB2 H 1 1.811 0.040 . 2 . . . A 64 LYS HB2 . 11497 1 133 . 1 1 14 14 LYS HB3 H 1 1.811 0.040 . 2 . . . A 64 LYS HB3 . 11497 1 134 . 1 1 14 14 LYS HG2 H 1 1.470 0.040 . 2 . . . A 64 LYS HG2 . 11497 1 135 . 1 1 14 14 LYS HG3 H 1 1.470 0.040 . 2 . . . A 64 LYS HG3 . 11497 1 136 . 1 1 14 14 LYS HD2 H 1 1.729 0.040 . 2 . . . A 64 LYS HD2 . 11497 1 137 . 1 1 14 14 LYS HD3 H 1 1.729 0.040 . 2 . . . A 64 LYS HD3 . 11497 1 138 . 1 1 14 14 LYS HE2 H 1 3.006 0.040 . 2 . . . A 64 LYS HE2 . 11497 1 139 . 1 1 14 14 LYS HE3 H 1 3.006 0.040 . 2 . . . A 64 LYS HE3 . 11497 1 140 . 1 1 14 14 LYS C C 13 176.603 0.450 . 1 . . . A 64 LYS C . 11497 1 141 . 1 1 14 14 LYS CA C 13 56.428 0.450 . 1 . . . A 64 LYS CA . 11497 1 142 . 1 1 14 14 LYS CB C 13 32.962 0.450 . 1 . . . A 64 LYS CB . 11497 1 143 . 1 1 14 14 LYS CG C 13 24.747 0.450 . 1 . . . A 64 LYS CG . 11497 1 144 . 1 1 14 14 LYS CD C 13 29.766 0.450 . 1 . . . A 64 LYS CD . 11497 1 145 . 1 1 14 14 LYS CE C 13 41.675 0.450 . 1 . . . A 64 LYS CE . 11497 1 146 . 1 1 14 14 LYS N N 15 122.156 0.450 . 1 . . . A 64 LYS N . 11497 1 147 . 1 1 15 15 GLU H H 1 8.218 0.040 . 1 . . . A 65 GLU H . 11497 1 148 . 1 1 15 15 GLU HA H 1 4.243 0.040 . 1 . . . A 65 GLU HA . 11497 1 149 . 1 1 15 15 GLU HB2 H 1 2.033 0.040 . 2 . . . A 65 GLU HB2 . 11497 1 150 . 1 1 15 15 GLU HB3 H 1 1.945 0.040 . 2 . . . A 65 GLU HB3 . 11497 1 151 . 1 1 15 15 GLU HG2 H 1 2.229 0.040 . 2 . . . A 65 GLU HG2 . 11497 1 152 . 1 1 15 15 GLU HG3 H 1 2.229 0.040 . 2 . . . A 65 GLU HG3 . 11497 1 153 . 1 1 15 15 GLU C C 13 176.396 0.450 . 1 . . . A 65 GLU C . 11497 1 154 . 1 1 15 15 GLU CA C 13 57.032 0.450 . 1 . . . A 65 GLU CA . 11497 1 155 . 1 1 15 15 GLU CB C 13 30.033 0.450 . 1 . . . A 65 GLU CB . 11497 1 156 . 1 1 15 15 GLU CG C 13 36.167 0.450 . 1 . . . A 65 GLU CG . 11497 1 157 . 1 1 15 15 GLU N N 15 122.171 0.450 . 1 . . . A 65 GLU N . 11497 1 158 . 1 1 16 16 ASN H H 1 8.420 0.040 . 1 . . . A 66 ASN H . 11497 1 159 . 1 1 16 16 ASN HA H 1 4.615 0.040 . 1 . . . A 66 ASN HA . 11497 1 160 . 1 1 16 16 ASN HB2 H 1 2.821 0.040 . 2 . . . A 66 ASN HB2 . 11497 1 161 . 1 1 16 16 ASN HB3 H 1 2.733 0.040 . 2 . . . A 66 ASN HB3 . 11497 1 162 . 1 1 16 16 ASN HD21 H 1 6.938 0.040 . 2 . . . A 66 ASN HD21 . 11497 1 163 . 1 1 16 16 ASN HD22 H 1 7.636 0.040 . 2 . . . A 66 ASN HD22 . 11497 1 164 . 1 1 16 16 ASN C C 13 174.816 0.450 . 1 . . . A 66 ASN C . 11497 1 165 . 1 1 16 16 ASN CA C 13 53.179 0.450 . 1 . . . A 66 ASN CA . 11497 1 166 . 1 1 16 16 ASN CB C 13 38.638 0.450 . 1 . . . A 66 ASN CB . 11497 1 167 . 1 1 16 16 ASN CG C 13 177.270 0.450 . 1 . . . A 66 ASN CG . 11497 1 168 . 1 1 16 16 ASN N N 15 118.686 0.450 . 1 . . . A 66 ASN N . 11497 1 169 . 1 1 16 16 ASN ND2 N 15 113.084 0.450 . 1 . . . A 66 ASN ND2 . 11497 1 170 . 1 1 17 17 ALA H H 1 8.166 0.040 . 1 . . . A 67 ALA H . 11497 1 171 . 1 1 17 17 ALA HA H 1 4.251 0.040 . 1 . . . A 67 ALA HA . 11497 1 172 . 1 1 17 17 ALA HB1 H 1 1.359 0.040 . 1 . . . A 67 ALA HB1 . 11497 1 173 . 1 1 17 17 ALA HB2 H 1 1.359 0.040 . 1 . . . A 67 ALA HB2 . 11497 1 174 . 1 1 17 17 ALA HB3 H 1 1.359 0.040 . 1 . . . A 67 ALA HB3 . 11497 1 175 . 1 1 17 17 ALA C C 13 177.658 0.450 . 1 . . . A 67 ALA C . 11497 1 176 . 1 1 17 17 ALA CA C 13 52.600 0.450 . 1 . . . A 67 ALA CA . 11497 1 177 . 1 1 17 17 ALA CB C 13 19.261 0.450 . 1 . . . A 67 ALA CB . 11497 1 178 . 1 1 17 17 ALA N N 15 123.764 0.450 . 1 . . . A 67 ALA N . 11497 1 179 . 1 1 18 18 LYS H H 1 8.280 0.040 . 1 . . . A 68 LYS H . 11497 1 180 . 1 1 18 18 LYS HA H 1 4.291 0.040 . 1 . . . A 68 LYS HA . 11497 1 181 . 1 1 18 18 LYS HB2 H 1 1.827 0.040 . 2 . . . A 68 LYS HB2 . 11497 1 182 . 1 1 18 18 LYS HB3 H 1 1.827 0.040 . 2 . . . A 68 LYS HB3 . 11497 1 183 . 1 1 18 18 LYS HG2 H 1 1.440 0.040 . 2 . . . A 68 LYS HG2 . 11497 1 184 . 1 1 18 18 LYS HG3 H 1 1.440 0.040 . 2 . . . A 68 LYS HG3 . 11497 1 185 . 1 1 18 18 LYS HD2 H 1 1.666 0.040 . 2 . . . A 68 LYS HD2 . 11497 1 186 . 1 1 18 18 LYS HD3 H 1 1.666 0.040 . 2 . . . A 68 LYS HD3 . 11497 1 187 . 1 1 18 18 LYS HE2 H 1 3.138 0.040 . 2 . . . A 68 LYS HE2 . 11497 1 188 . 1 1 18 18 LYS HE3 H 1 3.138 0.040 . 2 . . . A 68 LYS HE3 . 11497 1 189 . 1 1 18 18 LYS C C 13 176.777 0.450 . 1 . . . A 68 LYS C . 11497 1 190 . 1 1 18 18 LYS CA C 13 56.398 0.450 . 1 . . . A 68 LYS CA . 11497 1 191 . 1 1 18 18 LYS CB C 13 32.931 0.450 . 1 . . . A 68 LYS CB . 11497 1 192 . 1 1 18 18 LYS CG C 13 24.734 0.450 . 1 . . . A 68 LYS CG . 11497 1 193 . 1 1 18 18 LYS CD C 13 29.191 0.450 . 1 . . . A 68 LYS CD . 11497 1 194 . 1 1 18 18 LYS CE C 13 42.175 0.450 . 1 . . . A 68 LYS CE . 11497 1 195 . 1 1 18 18 LYS N N 15 120.130 0.450 . 1 . . . A 68 LYS N . 11497 1 196 . 1 1 19 19 GLU H H 1 8.466 0.040 . 1 . . . A 69 GLU H . 11497 1 197 . 1 1 19 19 GLU HA H 1 4.219 0.040 . 1 . . . A 69 GLU HA . 11497 1 198 . 1 1 19 19 GLU HB2 H 1 2.099 0.040 . 2 . . . A 69 GLU HB2 . 11497 1 199 . 1 1 19 19 GLU HB3 H 1 1.932 0.040 . 2 . . . A 69 GLU HB3 . 11497 1 200 . 1 1 19 19 GLU HG2 H 1 2.246 0.040 . 2 . . . A 69 GLU HG2 . 11497 1 201 . 1 1 19 19 GLU HG3 H 1 2.246 0.040 . 2 . . . A 69 GLU HG3 . 11497 1 202 . 1 1 19 19 GLU C C 13 176.641 0.450 . 1 . . . A 69 GLU C . 11497 1 203 . 1 1 19 19 GLU CA C 13 56.978 0.450 . 1 . . . A 69 GLU CA . 11497 1 204 . 1 1 19 19 GLU CB C 13 29.987 0.450 . 1 . . . A 69 GLU CB . 11497 1 205 . 1 1 19 19 GLU CG C 13 36.347 0.450 . 1 . . . A 69 GLU CG . 11497 1 206 . 1 1 19 19 GLU N N 15 121.662 0.450 . 1 . . . A 69 GLU N . 11497 1 207 . 1 1 20 20 GLU H H 1 8.387 0.040 . 1 . . . A 70 GLU H . 11497 1 208 . 1 1 20 20 GLU HA H 1 4.283 0.040 . 1 . . . A 70 GLU HA . 11497 1 209 . 1 1 20 20 GLU HB2 H 1 2.043 0.040 . 2 . . . A 70 GLU HB2 . 11497 1 210 . 1 1 20 20 GLU HB3 H 1 1.931 0.040 . 2 . . . A 70 GLU HB3 . 11497 1 211 . 1 1 20 20 GLU HG2 H 1 2.218 0.040 . 2 . . . A 70 GLU HG2 . 11497 1 212 . 1 1 20 20 GLU HG3 H 1 2.218 0.040 . 2 . . . A 70 GLU HG3 . 11497 1 213 . 1 1 20 20 GLU C C 13 176.418 0.450 . 1 . . . A 70 GLU C . 11497 1 214 . 1 1 20 20 GLU CA C 13 56.478 0.450 . 1 . . . A 70 GLU CA . 11497 1 215 . 1 1 20 20 GLU CB C 13 30.079 0.450 . 1 . . . A 70 GLU CB . 11497 1 216 . 1 1 20 20 GLU CG C 13 36.218 0.450 . 1 . . . A 70 GLU CG . 11497 1 217 . 1 1 20 20 GLU N N 15 120.626 0.450 . 1 . . . A 70 GLU N . 11497 1 218 . 1 1 21 21 GLU H H 1 8.389 0.040 . 1 . . . A 71 GLU H . 11497 1 219 . 1 1 21 21 GLU HA H 1 4.290 0.040 . 1 . . . A 71 GLU HA . 11497 1 220 . 1 1 21 21 GLU HB2 H 1 2.085 0.040 . 2 . . . A 71 GLU HB2 . 11497 1 221 . 1 1 21 21 GLU HB3 H 1 1.936 0.040 . 2 . . . A 71 GLU HB3 . 11497 1 222 . 1 1 21 21 GLU HG2 H 1 2.223 0.040 . 2 . . . A 71 GLU HG2 . 11497 1 223 . 1 1 21 21 GLU HG3 H 1 2.223 0.040 . 2 . . . A 71 GLU HG3 . 11497 1 224 . 1 1 21 21 GLU C C 13 177.000 0.450 . 1 . . . A 71 GLU C . 11497 1 225 . 1 1 21 21 GLU CA C 13 56.860 0.450 . 1 . . . A 71 GLU CA . 11497 1 226 . 1 1 21 21 GLU CB C 13 30.177 0.450 . 1 . . . A 71 GLU CB . 11497 1 227 . 1 1 21 21 GLU CG C 13 36.281 0.450 . 1 . . . A 71 GLU CG . 11497 1 228 . 1 1 21 21 GLU N N 15 121.533 0.450 . 1 . . . A 71 GLU N . 11497 1 229 . 1 1 22 22 GLY H H 1 8.470 0.040 . 1 . . . A 72 GLY H . 11497 1 230 . 1 1 22 22 GLY HA2 H 1 3.957 0.040 . 2 . . . A 72 GLY HA2 . 11497 1 231 . 1 1 22 22 GLY HA3 H 1 3.957 0.040 . 2 . . . A 72 GLY HA3 . 11497 1 232 . 1 1 22 22 GLY C C 13 174.657 0.450 . 1 . . . A 72 GLY C . 11497 1 233 . 1 1 22 22 GLY CA C 13 45.226 0.450 . 1 . . . A 72 GLY CA . 11497 1 234 . 1 1 22 22 GLY N N 15 110.145 0.450 . 1 . . . A 72 GLY N . 11497 1 235 . 1 1 23 23 GLY H H 1 8.311 0.040 . 1 . . . A 73 GLY H . 11497 1 236 . 1 1 23 23 GLY HA2 H 1 3.976 0.040 . 2 . . . A 73 GLY HA2 . 11497 1 237 . 1 1 23 23 GLY HA3 H 1 3.976 0.040 . 2 . . . A 73 GLY HA3 . 11497 1 238 . 1 1 23 23 GLY C C 13 174.194 0.450 . 1 . . . A 73 GLY C . 11497 1 239 . 1 1 23 23 GLY CA C 13 44.977 0.450 . 1 . . . A 73 GLY CA . 11497 1 240 . 1 1 23 23 GLY N N 15 108.884 0.450 . 1 . . . A 73 GLY N . 11497 1 241 . 1 1 24 24 GLU H H 1 8.451 0.040 . 1 . . . A 74 GLU H . 11497 1 242 . 1 1 24 24 GLU HA H 1 4.291 0.040 . 1 . . . A 74 GLU HA . 11497 1 243 . 1 1 24 24 GLU HB2 H 1 2.039 0.040 . 2 . . . A 74 GLU HB2 . 11497 1 244 . 1 1 24 24 GLU HB3 H 1 1.880 0.040 . 2 . . . A 74 GLU HB3 . 11497 1 245 . 1 1 24 24 GLU HG2 H 1 2.218 0.040 . 2 . . . A 74 GLU HG2 . 11497 1 246 . 1 1 24 24 GLU HG3 H 1 2.218 0.040 . 2 . . . A 74 GLU HG3 . 11497 1 247 . 1 1 24 24 GLU C C 13 176.549 0.450 . 1 . . . A 74 GLU C . 11497 1 248 . 1 1 24 24 GLU CA C 13 56.515 0.450 . 1 . . . A 74 GLU CA . 11497 1 249 . 1 1 24 24 GLU CB C 13 30.316 0.450 . 1 . . . A 74 GLU CB . 11497 1 250 . 1 1 24 24 GLU CG C 13 36.241 0.450 . 1 . . . A 74 GLU CG . 11497 1 251 . 1 1 24 24 GLU N N 15 120.461 0.450 . 1 . . . A 74 GLU N . 11497 1 252 . 1 1 25 25 GLU H H 1 8.530 0.040 . 1 . . . A 75 GLU H . 11497 1 253 . 1 1 25 25 GLU HA H 1 4.229 0.040 . 1 . . . A 75 GLU HA . 11497 1 254 . 1 1 25 25 GLU HB2 H 1 2.020 0.040 . 2 . . . A 75 GLU HB2 . 11497 1 255 . 1 1 25 25 GLU HB3 H 1 1.870 0.040 . 2 . . . A 75 GLU HB3 . 11497 1 256 . 1 1 25 25 GLU HG2 H 1 2.169 0.040 . 2 . . . A 75 GLU HG2 . 11497 1 257 . 1 1 25 25 GLU HG3 H 1 2.169 0.040 . 2 . . . A 75 GLU HG3 . 11497 1 258 . 1 1 25 25 GLU C C 13 176.376 0.450 . 1 . . . A 75 GLU C . 11497 1 259 . 1 1 25 25 GLU CA C 13 56.471 0.450 . 1 . . . A 75 GLU CA . 11497 1 260 . 1 1 25 25 GLU CB C 13 30.295 0.450 . 1 . . . A 75 GLU CB . 11497 1 261 . 1 1 25 25 GLU CG C 13 36.232 0.450 . 1 . . . A 75 GLU CG . 11497 1 262 . 1 1 25 25 GLU N N 15 121.847 0.450 . 1 . . . A 75 GLU N . 11497 1 263 . 1 1 26 26 GLU H H 1 8.449 0.040 . 1 . . . A 76 GLU H . 11497 1 264 . 1 1 26 26 GLU HA H 1 4.286 0.040 . 1 . . . A 76 GLU HA . 11497 1 265 . 1 1 26 26 GLU HB2 H 1 1.932 0.040 . 2 . . . A 76 GLU HB2 . 11497 1 266 . 1 1 26 26 GLU HB3 H 1 1.932 0.040 . 2 . . . A 76 GLU HB3 . 11497 1 267 . 1 1 26 26 GLU HG2 H 1 2.223 0.040 . 2 . . . A 76 GLU HG2 . 11497 1 268 . 1 1 26 26 GLU HG3 H 1 2.223 0.040 . 2 . . . A 76 GLU HG3 . 11497 1 269 . 1 1 26 26 GLU C C 13 176.278 0.450 . 1 . . . A 76 GLU C . 11497 1 270 . 1 1 26 26 GLU CA C 13 56.391 0.450 . 1 . . . A 76 GLU CA . 11497 1 271 . 1 1 26 26 GLU CB C 13 30.547 0.450 . 1 . . . A 76 GLU CB . 11497 1 272 . 1 1 26 26 GLU CG C 13 36.243 0.450 . 1 . . . A 76 GLU CG . 11497 1 273 . 1 1 26 26 GLU N N 15 122.307 0.450 . 1 . . . A 76 GLU N . 11497 1 274 . 1 1 27 27 GLU H H 1 8.490 0.040 . 1 . . . A 77 GLU H . 11497 1 275 . 1 1 27 27 GLU HA H 1 4.280 0.040 . 1 . . . A 77 GLU HA . 11497 1 276 . 1 1 27 27 GLU HB2 H 1 2.011 0.040 . 2 . . . A 77 GLU HB2 . 11497 1 277 . 1 1 27 27 GLU HB3 H 1 1.871 0.040 . 2 . . . A 77 GLU HB3 . 11497 1 278 . 1 1 27 27 GLU HG2 H 1 2.232 0.040 . 2 . . . A 77 GLU HG2 . 11497 1 279 . 1 1 27 27 GLU HG3 H 1 2.232 0.040 . 2 . . . A 77 GLU HG3 . 11497 1 280 . 1 1 27 27 GLU C C 13 176.215 0.450 . 1 . . . A 77 GLU C . 11497 1 281 . 1 1 27 27 GLU CA C 13 56.367 0.450 . 1 . . . A 77 GLU CA . 11497 1 282 . 1 1 27 27 GLU CB C 13 30.581 0.450 . 1 . . . A 77 GLU CB . 11497 1 283 . 1 1 27 27 GLU CG C 13 36.215 0.450 . 1 . . . A 77 GLU CG . 11497 1 284 . 1 1 27 27 GLU N N 15 122.668 0.450 . 1 . . . A 77 GLU N . 11497 1 285 . 1 1 28 28 GLU HA H 1 4.239 0.040 . 1 . . . A 78 GLU HA . 11497 1 286 . 1 1 28 28 GLU HB2 H 1 1.986 0.040 . 2 . . . A 78 GLU HB2 . 11497 1 287 . 1 1 28 28 GLU HB3 H 1 1.873 0.040 . 2 . . . A 78 GLU HB3 . 11497 1 288 . 1 1 28 28 GLU HG2 H 1 2.232 0.040 . 2 . . . A 78 GLU HG2 . 11497 1 289 . 1 1 28 28 GLU HG3 H 1 2.232 0.040 . 2 . . . A 78 GLU HG3 . 11497 1 290 . 1 1 28 28 GLU C C 13 175.994 0.450 . 1 . . . A 78 GLU C . 11497 1 291 . 1 1 28 28 GLU CA C 13 56.345 0.450 . 1 . . . A 78 GLU CA . 11497 1 292 . 1 1 28 28 GLU CB C 13 30.655 0.450 . 1 . . . A 78 GLU CB . 11497 1 293 . 1 1 28 28 GLU CG C 13 36.100 0.450 . 1 . . . A 78 GLU CG . 11497 1 294 . 1 1 29 29 ASP H H 1 8.406 0.040 . 1 . . . A 79 ASP H . 11497 1 295 . 1 1 29 29 ASP HA H 1 4.494 0.040 . 1 . . . A 79 ASP HA . 11497 1 296 . 1 1 29 29 ASP HB2 H 1 2.528 0.040 . 2 . . . A 79 ASP HB2 . 11497 1 297 . 1 1 29 29 ASP HB3 H 1 2.451 0.040 . 2 . . . A 79 ASP HB3 . 11497 1 298 . 1 1 29 29 ASP C C 13 175.486 0.450 . 1 . . . A 79 ASP C . 11497 1 299 . 1 1 29 29 ASP CA C 13 54.136 0.450 . 1 . . . A 79 ASP CA . 11497 1 300 . 1 1 29 29 ASP CB C 13 41.332 0.450 . 1 . . . A 79 ASP CB . 11497 1 301 . 1 1 29 29 ASP N N 15 122.370 0.450 . 1 . . . A 79 ASP N . 11497 1 302 . 1 1 30 30 GLU H H 1 8.250 0.040 . 1 . . . A 80 GLU H . 11497 1 303 . 1 1 30 30 GLU HA H 1 4.178 0.040 . 1 . . . A 80 GLU HA . 11497 1 304 . 1 1 30 30 GLU HB2 H 1 1.745 0.040 . 2 . . . A 80 GLU HB2 . 11497 1 305 . 1 1 30 30 GLU HB3 H 1 1.745 0.040 . 2 . . . A 80 GLU HB3 . 11497 1 306 . 1 1 30 30 GLU HG2 H 1 2.208 0.040 . 2 . . . A 80 GLU HG2 . 11497 1 307 . 1 1 30 30 GLU HG3 H 1 2.208 0.040 . 2 . . . A 80 GLU HG3 . 11497 1 308 . 1 1 30 30 GLU C C 13 175.834 0.450 . 1 . . . A 80 GLU C . 11497 1 309 . 1 1 30 30 GLU CA C 13 56.488 0.450 . 1 . . . A 80 GLU CA . 11497 1 310 . 1 1 30 30 GLU CB C 13 30.789 0.450 . 1 . . . A 80 GLU CB . 11497 1 311 . 1 1 30 30 GLU CG C 13 36.041 0.450 . 1 . . . A 80 GLU CG . 11497 1 312 . 1 1 30 30 GLU N N 15 121.023 0.450 . 1 . . . A 80 GLU N . 11497 1 313 . 1 1 31 31 TYR H H 1 8.206 0.040 . 1 . . . A 81 TYR H . 11497 1 314 . 1 1 31 31 TYR HA H 1 4.615 0.040 . 1 . . . A 81 TYR HA . 11497 1 315 . 1 1 31 31 TYR HB2 H 1 2.530 0.040 . 2 . . . A 81 TYR HB2 . 11497 1 316 . 1 1 31 31 TYR HB3 H 1 2.342 0.040 . 2 . . . A 81 TYR HB3 . 11497 1 317 . 1 1 31 31 TYR HD1 H 1 6.512 0.040 . 1 . . . A 81 TYR HD1 . 11497 1 318 . 1 1 31 31 TYR HD2 H 1 6.512 0.040 . 1 . . . A 81 TYR HD2 . 11497 1 319 . 1 1 31 31 TYR HE1 H 1 6.259 0.040 . 1 . . . A 81 TYR HE1 . 11497 1 320 . 1 1 31 31 TYR HE2 H 1 6.259 0.040 . 1 . . . A 81 TYR HE2 . 11497 1 321 . 1 1 31 31 TYR C C 13 175.157 0.450 . 1 . . . A 81 TYR C . 11497 1 322 . 1 1 31 31 TYR CA C 13 57.306 0.450 . 1 . . . A 81 TYR CA . 11497 1 323 . 1 1 31 31 TYR CB C 13 39.023 0.450 . 1 . . . A 81 TYR CB . 11497 1 324 . 1 1 31 31 TYR CD1 C 13 132.320 0.450 . 1 . . . A 81 TYR CD1 . 11497 1 325 . 1 1 31 31 TYR CD2 C 13 132.320 0.450 . 1 . . . A 81 TYR CD2 . 11497 1 326 . 1 1 31 31 TYR CE1 C 13 117.671 0.450 . 1 . . . A 81 TYR CE1 . 11497 1 327 . 1 1 31 31 TYR CE2 C 13 117.671 0.450 . 1 . . . A 81 TYR CE2 . 11497 1 328 . 1 1 31 31 TYR N N 15 122.362 0.450 . 1 . . . A 81 TYR N . 11497 1 329 . 1 1 32 32 VAL H H 1 9.298 0.040 . 1 . . . A 82 VAL H . 11497 1 330 . 1 1 32 32 VAL HA H 1 4.385 0.040 . 1 . . . A 82 VAL HA . 11497 1 331 . 1 1 32 32 VAL HB H 1 2.007 0.040 . 1 . . . A 82 VAL HB . 11497 1 332 . 1 1 32 32 VAL HG11 H 1 0.899 0.040 . 2 . . . A 82 VAL HG11 . 11497 1 333 . 1 1 32 32 VAL HG12 H 1 0.899 0.040 . 2 . . . A 82 VAL HG12 . 11497 1 334 . 1 1 32 32 VAL HG13 H 1 0.899 0.040 . 2 . . . A 82 VAL HG13 . 11497 1 335 . 1 1 32 32 VAL HG21 H 1 0.878 0.040 . 2 . . . A 82 VAL HG21 . 11497 1 336 . 1 1 32 32 VAL HG22 H 1 0.878 0.040 . 2 . . . A 82 VAL HG22 . 11497 1 337 . 1 1 32 32 VAL HG23 H 1 0.878 0.040 . 2 . . . A 82 VAL HG23 . 11497 1 338 . 1 1 32 32 VAL C C 13 175.588 0.450 . 1 . . . A 82 VAL C . 11497 1 339 . 1 1 32 32 VAL CA C 13 61.396 0.450 . 1 . . . A 82 VAL CA . 11497 1 340 . 1 1 32 32 VAL CB C 13 34.975 0.450 . 1 . . . A 82 VAL CB . 11497 1 341 . 1 1 32 32 VAL CG1 C 13 21.062 0.450 . 1 . . . A 82 VAL CG1 . 11497 1 342 . 1 1 32 32 VAL CG2 C 13 21.181 0.450 . 1 . . . A 82 VAL CG2 . 11497 1 343 . 1 1 32 32 VAL N N 15 125.023 0.450 . 1 . . . A 82 VAL N . 11497 1 344 . 1 1 33 33 VAL H H 1 8.817 0.040 . 1 . . . A 83 VAL H . 11497 1 345 . 1 1 33 33 VAL HA H 1 3.457 0.040 . 1 . . . A 83 VAL HA . 11497 1 346 . 1 1 33 33 VAL HB H 1 1.702 0.040 . 1 . . . A 83 VAL HB . 11497 1 347 . 1 1 33 33 VAL HG11 H 1 0.491 0.040 . 2 . . . A 83 VAL HG11 . 11497 1 348 . 1 1 33 33 VAL HG12 H 1 0.491 0.040 . 2 . . . A 83 VAL HG12 . 11497 1 349 . 1 1 33 33 VAL HG13 H 1 0.491 0.040 . 2 . . . A 83 VAL HG13 . 11497 1 350 . 1 1 33 33 VAL HG21 H 1 0.502 0.040 . 2 . . . A 83 VAL HG21 . 11497 1 351 . 1 1 33 33 VAL HG22 H 1 0.502 0.040 . 2 . . . A 83 VAL HG22 . 11497 1 352 . 1 1 33 33 VAL HG23 H 1 0.502 0.040 . 2 . . . A 83 VAL HG23 . 11497 1 353 . 1 1 33 33 VAL C C 13 174.803 0.450 . 1 . . . A 83 VAL C . 11497 1 354 . 1 1 33 33 VAL CA C 13 64.001 0.450 . 1 . . . A 83 VAL CA . 11497 1 355 . 1 1 33 33 VAL CB C 13 32.243 0.450 . 1 . . . A 83 VAL CB . 11497 1 356 . 1 1 33 33 VAL CG1 C 13 23.346 0.450 . 1 . . . A 83 VAL CG1 . 11497 1 357 . 1 1 33 33 VAL CG2 C 13 22.375 0.450 . 1 . . . A 83 VAL CG2 . 11497 1 358 . 1 1 33 33 VAL N N 15 129.145 0.450 . 1 . . . A 83 VAL N . 11497 1 359 . 1 1 34 34 GLU H H 1 9.586 0.040 . 1 . . . A 84 GLU H . 11497 1 360 . 1 1 34 34 GLU HA H 1 4.327 0.040 . 1 . . . A 84 GLU HA . 11497 1 361 . 1 1 34 34 GLU HB2 H 1 1.818 0.040 . 2 . . . A 84 GLU HB2 . 11497 1 362 . 1 1 34 34 GLU HB3 H 1 1.604 0.040 . 2 . . . A 84 GLU HB3 . 11497 1 363 . 1 1 34 34 GLU C C 13 175.856 0.450 . 1 . . . A 84 GLU C . 11497 1 364 . 1 1 34 34 GLU CA C 13 57.026 0.450 . 1 . . . A 84 GLU CA . 11497 1 365 . 1 1 34 34 GLU CB C 13 32.758 0.450 . 1 . . . A 84 GLU CB . 11497 1 366 . 1 1 34 34 GLU CG C 13 36.150 0.450 . 1 . . . A 84 GLU CG . 11497 1 367 . 1 1 34 34 GLU N N 15 128.459 0.450 . 1 . . . A 84 GLU N . 11497 1 368 . 1 1 35 35 LYS H H 1 7.511 0.040 . 1 . . . A 85 LYS H . 11497 1 369 . 1 1 35 35 LYS HA H 1 4.285 0.040 . 1 . . . A 85 LYS HA . 11497 1 370 . 1 1 35 35 LYS HB2 H 1 1.655 0.040 . 2 . . . A 85 LYS HB2 . 11497 1 371 . 1 1 35 35 LYS HB3 H 1 1.575 0.040 . 2 . . . A 85 LYS HB3 . 11497 1 372 . 1 1 35 35 LYS HG2 H 1 1.328 0.040 . 2 . . . A 85 LYS HG2 . 11497 1 373 . 1 1 35 35 LYS HG3 H 1 1.168 0.040 . 2 . . . A 85 LYS HG3 . 11497 1 374 . 1 1 35 35 LYS HD2 H 1 1.568 0.040 . 2 . . . A 85 LYS HD2 . 11497 1 375 . 1 1 35 35 LYS HD3 H 1 1.568 0.040 . 2 . . . A 85 LYS HD3 . 11497 1 376 . 1 1 35 35 LYS HE2 H 1 2.907 0.040 . 2 . . . A 85 LYS HE2 . 11497 1 377 . 1 1 35 35 LYS HE3 H 1 2.907 0.040 . 2 . . . A 85 LYS HE3 . 11497 1 378 . 1 1 35 35 LYS C C 13 172.650 0.450 . 1 . . . A 85 LYS C . 11497 1 379 . 1 1 35 35 LYS CA C 13 55.813 0.450 . 1 . . . A 85 LYS CA . 11497 1 380 . 1 1 35 35 LYS CB C 13 36.161 0.450 . 1 . . . A 85 LYS CB . 11497 1 381 . 1 1 35 35 LYS CG C 13 24.435 0.450 . 1 . . . A 85 LYS CG . 11497 1 382 . 1 1 35 35 LYS CD C 13 29.150 0.450 . 1 . . . A 85 LYS CD . 11497 1 383 . 1 1 35 35 LYS CE C 13 42.140 0.450 . 1 . . . A 85 LYS CE . 11497 1 384 . 1 1 35 35 LYS N N 15 113.873 0.450 . 1 . . . A 85 LYS N . 11497 1 385 . 1 1 36 36 VAL H H 1 8.250 0.040 . 1 . . . A 86 VAL H . 11497 1 386 . 1 1 36 36 VAL HA H 1 3.955 0.040 . 1 . . . A 86 VAL HA . 11497 1 387 . 1 1 36 36 VAL HB H 1 1.592 0.040 . 1 . . . A 86 VAL HB . 11497 1 388 . 1 1 36 36 VAL HG11 H 1 0.348 0.040 . 2 . . . A 86 VAL HG11 . 11497 1 389 . 1 1 36 36 VAL HG12 H 1 0.348 0.040 . 2 . . . A 86 VAL HG12 . 11497 1 390 . 1 1 36 36 VAL HG13 H 1 0.348 0.040 . 2 . . . A 86 VAL HG13 . 11497 1 391 . 1 1 36 36 VAL HG21 H 1 0.097 0.040 . 2 . . . A 86 VAL HG21 . 11497 1 392 . 1 1 36 36 VAL HG22 H 1 0.097 0.040 . 2 . . . A 86 VAL HG22 . 11497 1 393 . 1 1 36 36 VAL HG23 H 1 0.097 0.040 . 2 . . . A 86 VAL HG23 . 11497 1 394 . 1 1 36 36 VAL C C 13 175.350 0.450 . 1 . . . A 86 VAL C . 11497 1 395 . 1 1 36 36 VAL CA C 13 61.518 0.450 . 1 . . . A 86 VAL CA . 11497 1 396 . 1 1 36 36 VAL CB C 13 32.092 0.450 . 1 . . . A 86 VAL CB . 11497 1 397 . 1 1 36 36 VAL CG1 C 13 20.965 0.450 . 1 . . . A 86 VAL CG1 . 11497 1 398 . 1 1 36 36 VAL CG2 C 13 21.463 0.450 . 1 . . . A 86 VAL CG2 . 11497 1 399 . 1 1 36 36 VAL N N 15 122.425 0.450 . 1 . . . A 86 VAL N . 11497 1 400 . 1 1 37 37 LEU H H 1 9.000 0.040 . 1 . . . A 87 LEU H . 11497 1 401 . 1 1 37 37 LEU HA H 1 4.219 0.040 . 1 . . . A 87 LEU HA . 11497 1 402 . 1 1 37 37 LEU HB2 H 1 1.345 0.040 . 2 . . . A 87 LEU HB2 . 11497 1 403 . 1 1 37 37 LEU HB3 H 1 1.345 0.040 . 2 . . . A 87 LEU HB3 . 11497 1 404 . 1 1 37 37 LEU HG H 1 0.579 0.040 . 1 . . . A 87 LEU HG . 11497 1 405 . 1 1 37 37 LEU HD11 H 1 0.647 0.040 . 2 . . . A 87 LEU HD11 . 11497 1 406 . 1 1 37 37 LEU HD12 H 1 0.647 0.040 . 2 . . . A 87 LEU HD12 . 11497 1 407 . 1 1 37 37 LEU HD13 H 1 0.647 0.040 . 2 . . . A 87 LEU HD13 . 11497 1 408 . 1 1 37 37 LEU HD21 H 1 0.652 0.040 . 2 . . . A 87 LEU HD21 . 11497 1 409 . 1 1 37 37 LEU HD22 H 1 0.652 0.040 . 2 . . . A 87 LEU HD22 . 11497 1 410 . 1 1 37 37 LEU HD23 H 1 0.652 0.040 . 2 . . . A 87 LEU HD23 . 11497 1 411 . 1 1 37 37 LEU C C 13 177.136 0.450 . 1 . . . A 87 LEU C . 11497 1 412 . 1 1 37 37 LEU CA C 13 56.245 0.450 . 1 . . . A 87 LEU CA . 11497 1 413 . 1 1 37 37 LEU CB C 13 43.846 0.450 . 1 . . . A 87 LEU CB . 11497 1 414 . 1 1 37 37 LEU CG C 13 25.646 0.450 . 1 . . . A 87 LEU CG . 11497 1 415 . 1 1 37 37 LEU CD1 C 13 22.347 0.450 . 1 . . . A 87 LEU CD1 . 11497 1 416 . 1 1 37 37 LEU CD2 C 13 25.584 0.450 . 1 . . . A 87 LEU CD2 . 11497 1 417 . 1 1 37 37 LEU N N 15 124.185 0.450 . 1 . . . A 87 LEU N . 11497 1 418 . 1 1 38 38 LYS H H 1 6.939 0.040 . 1 . . . A 88 LYS H . 11497 1 419 . 1 1 38 38 LYS HA H 1 4.484 0.040 . 1 . . . A 88 LYS HA . 11497 1 420 . 1 1 38 38 LYS HB2 H 1 1.818 0.040 . 2 . . . A 88 LYS HB2 . 11497 1 421 . 1 1 38 38 LYS HB3 H 1 1.560 0.040 . 2 . . . A 88 LYS HB3 . 11497 1 422 . 1 1 38 38 LYS HG2 H 1 1.466 0.040 . 2 . . . A 88 LYS HG2 . 11497 1 423 . 1 1 38 38 LYS HG3 H 1 1.339 0.040 . 2 . . . A 88 LYS HG3 . 11497 1 424 . 1 1 38 38 LYS HD2 H 1 1.666 0.040 . 2 . . . A 88 LYS HD2 . 11497 1 425 . 1 1 38 38 LYS HD3 H 1 1.666 0.040 . 2 . . . A 88 LYS HD3 . 11497 1 426 . 1 1 38 38 LYS HE2 H 1 2.929 0.040 . 2 . . . A 88 LYS HE2 . 11497 1 427 . 1 1 38 38 LYS HE3 H 1 2.929 0.040 . 2 . . . A 88 LYS HE3 . 11497 1 428 . 1 1 38 38 LYS C C 13 172.784 0.450 . 1 . . . A 88 LYS C . 11497 1 429 . 1 1 38 38 LYS CA C 13 55.265 0.450 . 1 . . . A 88 LYS CA . 11497 1 430 . 1 1 38 38 LYS CB C 13 36.519 0.450 . 1 . . . A 88 LYS CB . 11497 1 431 . 1 1 38 38 LYS CG C 13 25.040 0.450 . 1 . . . A 88 LYS CG . 11497 1 432 . 1 1 38 38 LYS CD C 13 29.351 0.450 . 1 . . . A 88 LYS CD . 11497 1 433 . 1 1 38 38 LYS CE C 13 42.221 0.450 . 1 . . . A 88 LYS CE . 11497 1 434 . 1 1 38 38 LYS N N 15 114.371 0.450 . 1 . . . A 88 LYS N . 11497 1 435 . 1 1 39 39 HIS H H 1 7.113 0.040 . 1 . . . A 89 HIS H . 11497 1 436 . 1 1 39 39 HIS HA H 1 5.887 0.040 . 1 . . . A 89 HIS HA . 11497 1 437 . 1 1 39 39 HIS HB2 H 1 2.689 0.040 . 2 . . . A 89 HIS HB2 . 11497 1 438 . 1 1 39 39 HIS HB3 H 1 2.315 0.040 . 2 . . . A 89 HIS HB3 . 11497 1 439 . 1 1 39 39 HIS HD2 H 1 6.656 0.040 . 1 . . . A 89 HIS HD2 . 11497 1 440 . 1 1 39 39 HIS HE1 H 1 7.801 0.040 . 1 . . . A 89 HIS HE1 . 11497 1 441 . 1 1 39 39 HIS C C 13 173.406 0.450 . 1 . . . A 89 HIS C . 11497 1 442 . 1 1 39 39 HIS CA C 13 54.923 0.450 . 1 . . . A 89 HIS CA . 11497 1 443 . 1 1 39 39 HIS CB C 13 35.754 0.450 . 1 . . . A 89 HIS CB . 11497 1 444 . 1 1 39 39 HIS CD2 C 13 116.905 0.450 . 1 . . . A 89 HIS CD2 . 11497 1 445 . 1 1 39 39 HIS CE1 C 13 138.339 0.450 . 1 . . . A 89 HIS CE1 . 11497 1 446 . 1 1 39 39 HIS N N 15 116.906 0.450 . 1 . . . A 89 HIS N . 11497 1 447 . 1 1 40 40 ARG H H 1 9.090 0.040 . 1 . . . A 90 ARG H . 11497 1 448 . 1 1 40 40 ARG HA H 1 4.490 0.040 . 1 . . . A 90 ARG HA . 11497 1 449 . 1 1 40 40 ARG HB2 H 1 1.653 0.040 . 2 . . . A 90 ARG HB2 . 11497 1 450 . 1 1 40 40 ARG HB3 H 1 1.468 0.040 . 2 . . . A 90 ARG HB3 . 11497 1 451 . 1 1 40 40 ARG HG2 H 1 0.923 0.040 . 2 . . . A 90 ARG HG2 . 11497 1 452 . 1 1 40 40 ARG HG3 H 1 0.923 0.040 . 2 . . . A 90 ARG HG3 . 11497 1 453 . 1 1 40 40 ARG HD2 H 1 2.910 0.040 . 2 . . . A 90 ARG HD2 . 11497 1 454 . 1 1 40 40 ARG HD3 H 1 2.910 0.040 . 2 . . . A 90 ARG HD3 . 11497 1 455 . 1 1 40 40 ARG C C 13 174.048 0.450 . 1 . . . A 90 ARG C . 11497 1 456 . 1 1 40 40 ARG CA C 13 54.739 0.450 . 1 . . . A 90 ARG CA . 11497 1 457 . 1 1 40 40 ARG CB C 13 32.360 0.450 . 1 . . . A 90 ARG CB . 11497 1 458 . 1 1 40 40 ARG CG C 13 24.702 0.450 . 1 . . . A 90 ARG CG . 11497 1 459 . 1 1 40 40 ARG CD C 13 42.751 0.450 . 1 . . . A 90 ARG CD . 11497 1 460 . 1 1 40 40 ARG N N 15 116.391 0.450 . 1 . . . A 90 ARG N . 11497 1 461 . 1 1 41 41 MET H H 1 8.732 0.040 . 1 . . . A 91 MET H . 11497 1 462 . 1 1 41 41 MET HA H 1 4.573 0.040 . 1 . . . A 91 MET HA . 11497 1 463 . 1 1 41 41 MET HB2 H 1 2.624 0.040 . 2 . . . A 91 MET HB2 . 11497 1 464 . 1 1 41 41 MET HB3 H 1 1.912 0.040 . 2 . . . A 91 MET HB3 . 11497 1 465 . 1 1 41 41 MET HG2 H 1 2.524 0.040 . 2 . . . A 91 MET HG2 . 11497 1 466 . 1 1 41 41 MET HG3 H 1 2.524 0.040 . 2 . . . A 91 MET HG3 . 11497 1 467 . 1 1 41 41 MET HE1 H 1 1.874 0.040 . 1 . . . A 91 MET HE1 . 11497 1 468 . 1 1 41 41 MET HE2 H 1 1.874 0.040 . 1 . . . A 91 MET HE2 . 11497 1 469 . 1 1 41 41 MET HE3 H 1 1.874 0.040 . 1 . . . A 91 MET HE3 . 11497 1 470 . 1 1 41 41 MET C C 13 176.159 0.450 . 1 . . . A 91 MET C . 11497 1 471 . 1 1 41 41 MET CA C 13 54.855 0.450 . 1 . . . A 91 MET CA . 11497 1 472 . 1 1 41 41 MET CB C 13 31.746 0.450 . 1 . . . A 91 MET CB . 11497 1 473 . 1 1 41 41 MET CG C 13 31.745 0.450 . 1 . . . A 91 MET CG . 11497 1 474 . 1 1 41 41 MET CE C 13 16.117 0.450 . 1 . . . A 91 MET CE . 11497 1 475 . 1 1 41 41 MET N N 15 120.570 0.450 . 1 . . . A 91 MET N . 11497 1 476 . 1 1 42 42 ALA H H 1 8.570 0.040 . 1 . . . A 92 ALA H . 11497 1 477 . 1 1 42 42 ALA HA H 1 3.877 0.040 . 1 . . . A 92 ALA HA . 11497 1 478 . 1 1 42 42 ALA HB1 H 1 1.078 0.040 . 1 . . . A 92 ALA HB1 . 11497 1 479 . 1 1 42 42 ALA HB2 H 1 1.078 0.040 . 1 . . . A 92 ALA HB2 . 11497 1 480 . 1 1 42 42 ALA HB3 H 1 1.078 0.040 . 1 . . . A 92 ALA HB3 . 11497 1 481 . 1 1 42 42 ALA C C 13 178.528 0.450 . 1 . . . A 92 ALA C . 11497 1 482 . 1 1 42 42 ALA CA C 13 52.124 0.450 . 1 . . . A 92 ALA CA . 11497 1 483 . 1 1 42 42 ALA CB C 13 19.285 0.450 . 1 . . . A 92 ALA CB . 11497 1 484 . 1 1 42 42 ALA N N 15 126.996 0.450 . 1 . . . A 92 ALA N . 11497 1 485 . 1 1 43 43 ARG H H 1 8.496 0.040 . 1 . . . A 93 ARG H . 11497 1 486 . 1 1 43 43 ARG HA H 1 3.863 0.040 . 1 . . . A 93 ARG HA . 11497 1 487 . 1 1 43 43 ARG HB2 H 1 1.647 0.040 . 2 . . . A 93 ARG HB2 . 11497 1 488 . 1 1 43 43 ARG HB3 H 1 1.647 0.040 . 2 . . . A 93 ARG HB3 . 11497 1 489 . 1 1 43 43 ARG HG2 H 1 1.478 0.040 . 2 . . . A 93 ARG HG2 . 11497 1 490 . 1 1 43 43 ARG HG3 H 1 1.414 0.040 . 2 . . . A 93 ARG HG3 . 11497 1 491 . 1 1 43 43 ARG HD2 H 1 2.870 0.040 . 2 . . . A 93 ARG HD2 . 11497 1 492 . 1 1 43 43 ARG HD3 H 1 2.870 0.040 . 2 . . . A 93 ARG HD3 . 11497 1 493 . 1 1 43 43 ARG C C 13 176.706 0.450 . 1 . . . A 93 ARG C . 11497 1 494 . 1 1 43 43 ARG CA C 13 58.049 0.450 . 1 . . . A 93 ARG CA . 11497 1 495 . 1 1 43 43 ARG CB C 13 30.069 0.450 . 1 . . . A 93 ARG CB . 11497 1 496 . 1 1 43 43 ARG CG C 13 27.115 0.450 . 1 . . . A 93 ARG CG . 11497 1 497 . 1 1 43 43 ARG CD C 13 42.882 0.450 . 1 . . . A 93 ARG CD . 11497 1 498 . 1 1 43 43 ARG N N 15 122.399 0.450 . 1 . . . A 93 ARG N . 11497 1 499 . 1 1 44 44 LYS H H 1 7.901 0.040 . 1 . . . A 94 LYS H . 11497 1 500 . 1 1 44 44 LYS HA H 1 4.354 0.040 . 1 . . . A 94 LYS HA . 11497 1 501 . 1 1 44 44 LYS HB2 H 1 1.744 0.040 . 2 . . . A 94 LYS HB2 . 11497 1 502 . 1 1 44 44 LYS HB3 H 1 1.626 0.040 . 2 . . . A 94 LYS HB3 . 11497 1 503 . 1 1 44 44 LYS HG2 H 1 1.286 0.040 . 2 . . . A 94 LYS HG2 . 11497 1 504 . 1 1 44 44 LYS HG3 H 1 1.286 0.040 . 2 . . . A 94 LYS HG3 . 11497 1 505 . 1 1 44 44 LYS HD2 H 1 1.655 0.040 . 2 . . . A 94 LYS HD2 . 11497 1 506 . 1 1 44 44 LYS HD3 H 1 1.655 0.040 . 2 . . . A 94 LYS HD3 . 11497 1 507 . 1 1 44 44 LYS HE2 H 1 2.862 0.040 . 2 . . . A 94 LYS HE2 . 11497 1 508 . 1 1 44 44 LYS HE3 H 1 2.862 0.040 . 2 . . . A 94 LYS HE3 . 11497 1 509 . 1 1 44 44 LYS C C 13 176.586 0.450 . 1 . . . A 94 LYS C . 11497 1 510 . 1 1 44 44 LYS CA C 13 55.557 0.450 . 1 . . . A 94 LYS CA . 11497 1 511 . 1 1 44 44 LYS CB C 13 33.801 0.450 . 1 . . . A 94 LYS CB . 11497 1 512 . 1 1 44 44 LYS CG C 13 24.654 0.450 . 1 . . . A 94 LYS CG . 11497 1 513 . 1 1 44 44 LYS CD C 13 29.326 0.450 . 1 . . . A 94 LYS CD . 11497 1 514 . 1 1 44 44 LYS CE C 13 42.244 0.450 . 1 . . . A 94 LYS CE . 11497 1 515 . 1 1 44 44 LYS N N 15 116.786 0.450 . 1 . . . A 94 LYS N . 11497 1 516 . 1 1 45 45 GLY H H 1 8.388 0.040 . 1 . . . A 95 GLY H . 11497 1 517 . 1 1 45 45 GLY HA2 H 1 4.158 0.040 . 2 . . . A 95 GLY HA2 . 11497 1 518 . 1 1 45 45 GLY HA3 H 1 3.655 0.040 . 2 . . . A 95 GLY HA3 . 11497 1 519 . 1 1 45 45 GLY C C 13 174.753 0.450 . 1 . . . A 95 GLY C . 11497 1 520 . 1 1 45 45 GLY CA C 13 45.227 0.450 . 1 . . . A 95 GLY CA . 11497 1 521 . 1 1 45 45 GLY N N 15 109.943 0.450 . 1 . . . A 95 GLY N . 11497 1 522 . 1 1 46 46 GLY H H 1 8.212 0.040 . 1 . . . A 96 GLY H . 11497 1 523 . 1 1 46 46 GLY HA2 H 1 3.921 0.040 . 2 . . . A 96 GLY HA2 . 11497 1 524 . 1 1 46 46 GLY HA3 H 1 3.921 0.040 . 2 . . . A 96 GLY HA3 . 11497 1 525 . 1 1 46 46 GLY C C 13 173.867 0.450 . 1 . . . A 96 GLY C . 11497 1 526 . 1 1 46 46 GLY CA C 13 44.966 0.450 . 1 . . . A 96 GLY CA . 11497 1 527 . 1 1 46 46 GLY N N 15 107.688 0.450 . 1 . . . A 96 GLY N . 11497 1 528 . 1 1 47 47 GLY H H 1 8.001 0.040 . 1 . . . A 97 GLY H . 11497 1 529 . 1 1 47 47 GLY HA2 H 1 3.937 0.040 . 2 . . . A 97 GLY HA2 . 11497 1 530 . 1 1 47 47 GLY HA3 H 1 3.700 0.040 . 2 . . . A 97 GLY HA3 . 11497 1 531 . 1 1 47 47 GLY C C 13 173.119 0.450 . 1 . . . A 97 GLY C . 11497 1 532 . 1 1 47 47 GLY CA C 13 44.154 0.450 . 1 . . . A 97 GLY CA . 11497 1 533 . 1 1 47 47 GLY N N 15 106.878 0.450 . 1 . . . A 97 GLY N . 11497 1 534 . 1 1 48 48 TYR H H 1 8.901 0.040 . 1 . . . A 98 TYR H . 11497 1 535 . 1 1 48 48 TYR HA H 1 5.182 0.040 . 1 . . . A 98 TYR HA . 11497 1 536 . 1 1 48 48 TYR HB2 H 1 2.831 0.040 . 2 . . . A 98 TYR HB2 . 11497 1 537 . 1 1 48 48 TYR HB3 H 1 2.702 0.040 . 2 . . . A 98 TYR HB3 . 11497 1 538 . 1 1 48 48 TYR HD1 H 1 7.203 0.040 . 1 . . . A 98 TYR HD1 . 11497 1 539 . 1 1 48 48 TYR HD2 H 1 7.203 0.040 . 1 . . . A 98 TYR HD2 . 11497 1 540 . 1 1 48 48 TYR HE1 H 1 6.774 0.040 . 1 . . . A 98 TYR HE1 . 11497 1 541 . 1 1 48 48 TYR HE2 H 1 6.774 0.040 . 1 . . . A 98 TYR HE2 . 11497 1 542 . 1 1 48 48 TYR C C 13 176.739 0.450 . 1 . . . A 98 TYR C . 11497 1 543 . 1 1 48 48 TYR CA C 13 58.193 0.450 . 1 . . . A 98 TYR CA . 11497 1 544 . 1 1 48 48 TYR CB C 13 41.841 0.450 . 1 . . . A 98 TYR CB . 11497 1 545 . 1 1 48 48 TYR CD1 C 13 132.956 0.450 . 1 . . . A 98 TYR CD1 . 11497 1 546 . 1 1 48 48 TYR CD2 C 13 132.956 0.450 . 1 . . . A 98 TYR CD2 . 11497 1 547 . 1 1 48 48 TYR CE1 C 13 117.709 0.450 . 1 . . . A 98 TYR CE1 . 11497 1 548 . 1 1 48 48 TYR CE2 C 13 117.709 0.450 . 1 . . . A 98 TYR CE2 . 11497 1 549 . 1 1 48 48 TYR N N 15 118.122 0.450 . 1 . . . A 98 TYR N . 11497 1 550 . 1 1 49 49 GLU H H 1 8.991 0.040 . 1 . . . A 99 GLU H . 11497 1 551 . 1 1 49 49 GLU HA H 1 4.922 0.040 . 1 . . . A 99 GLU HA . 11497 1 552 . 1 1 49 49 GLU HB2 H 1 1.873 0.040 . 2 . . . A 99 GLU HB2 . 11497 1 553 . 1 1 49 49 GLU HB3 H 1 1.692 0.040 . 2 . . . A 99 GLU HB3 . 11497 1 554 . 1 1 49 49 GLU HG2 H 1 2.042 0.040 . 2 . . . A 99 GLU HG2 . 11497 1 555 . 1 1 49 49 GLU HG3 H 1 2.042 0.040 . 2 . . . A 99 GLU HG3 . 11497 1 556 . 1 1 49 49 GLU C C 13 174.391 0.450 . 1 . . . A 99 GLU C . 11497 1 557 . 1 1 49 49 GLU CA C 13 53.880 0.450 . 1 . . . A 99 GLU CA . 11497 1 558 . 1 1 49 49 GLU CB C 13 34.104 0.450 . 1 . . . A 99 GLU CB . 11497 1 559 . 1 1 49 49 GLU CG C 13 36.201 0.450 . 1 . . . A 99 GLU CG . 11497 1 560 . 1 1 49 49 GLU N N 15 119.323 0.450 . 1 . . . A 99 GLU N . 11497 1 561 . 1 1 50 50 TYR H H 1 9.200 0.040 . 1 . . . A 100 TYR H . 11497 1 562 . 1 1 50 50 TYR HA H 1 5.141 0.040 . 1 . . . A 100 TYR HA . 11497 1 563 . 1 1 50 50 TYR HB2 H 1 2.707 0.040 . 2 . . . A 100 TYR HB2 . 11497 1 564 . 1 1 50 50 TYR HB3 H 1 2.389 0.040 . 2 . . . A 100 TYR HB3 . 11497 1 565 . 1 1 50 50 TYR HD1 H 1 6.574 0.040 . 1 . . . A 100 TYR HD1 . 11497 1 566 . 1 1 50 50 TYR HD2 H 1 6.574 0.040 . 1 . . . A 100 TYR HD2 . 11497 1 567 . 1 1 50 50 TYR HE1 H 1 6.418 0.040 . 1 . . . A 100 TYR HE1 . 11497 1 568 . 1 1 50 50 TYR HE2 H 1 6.418 0.040 . 1 . . . A 100 TYR HE2 . 11497 1 569 . 1 1 50 50 TYR C C 13 173.423 0.450 . 1 . . . A 100 TYR C . 11497 1 570 . 1 1 50 50 TYR CA C 13 57.105 0.450 . 1 . . . A 100 TYR CA . 11497 1 571 . 1 1 50 50 TYR CB C 13 42.257 0.450 . 1 . . . A 100 TYR CB . 11497 1 572 . 1 1 50 50 TYR CD1 C 13 132.852 0.450 . 1 . . . A 100 TYR CD1 . 11497 1 573 . 1 1 50 50 TYR CD2 C 13 132.852 0.450 . 1 . . . A 100 TYR CD2 . 11497 1 574 . 1 1 50 50 TYR CE1 C 13 116.344 0.450 . 1 . . . A 100 TYR CE1 . 11497 1 575 . 1 1 50 50 TYR CE2 C 13 116.344 0.450 . 1 . . . A 100 TYR CE2 . 11497 1 576 . 1 1 50 50 TYR N N 15 117.618 0.450 . 1 . . . A 100 TYR N . 11497 1 577 . 1 1 51 51 LEU H H 1 7.823 0.040 . 1 . . . A 101 LEU H . 11497 1 578 . 1 1 51 51 LEU HA H 1 3.552 0.040 . 1 . . . A 101 LEU HA . 11497 1 579 . 1 1 51 51 LEU HB2 H 1 0.816 0.040 . 2 . . . A 101 LEU HB2 . 11497 1 580 . 1 1 51 51 LEU HB3 H 1 -1.507 0.040 . 2 . . . A 101 LEU HB3 . 11497 1 581 . 1 1 51 51 LEU HG H 1 0.376 0.040 . 1 . . . A 101 LEU HG . 11497 1 582 . 1 1 51 51 LEU HD11 H 1 0.372 0.040 . 2 . . . A 101 LEU HD11 . 11497 1 583 . 1 1 51 51 LEU HD12 H 1 0.372 0.040 . 2 . . . A 101 LEU HD12 . 11497 1 584 . 1 1 51 51 LEU HD13 H 1 0.372 0.040 . 2 . . . A 101 LEU HD13 . 11497 1 585 . 1 1 51 51 LEU HD21 H 1 -0.572 0.040 . 2 . . . A 101 LEU HD21 . 11497 1 586 . 1 1 51 51 LEU HD22 H 1 -0.572 0.040 . 2 . . . A 101 LEU HD22 . 11497 1 587 . 1 1 51 51 LEU HD23 H 1 -0.572 0.040 . 2 . . . A 101 LEU HD23 . 11497 1 588 . 1 1 51 51 LEU C C 13 173.623 0.450 . 1 . . . A 101 LEU C . 11497 1 589 . 1 1 51 51 LEU CA C 13 52.943 0.450 . 1 . . . A 101 LEU CA . 11497 1 590 . 1 1 51 51 LEU CB C 13 40.497 0.450 . 1 . . . A 101 LEU CB . 11497 1 591 . 1 1 51 51 LEU CG C 13 25.488 0.450 . 1 . . . A 101 LEU CG . 11497 1 592 . 1 1 51 51 LEU CD1 C 13 25.255 0.450 . 1 . . . A 101 LEU CD1 . 11497 1 593 . 1 1 51 51 LEU CD2 C 13 20.380 0.450 . 1 . . . A 101 LEU CD2 . 11497 1 594 . 1 1 51 51 LEU N N 15 126.021 0.450 . 1 . . . A 101 LEU N . 11497 1 595 . 1 1 52 52 LEU H H 1 8.796 0.040 . 1 . . . A 102 LEU H . 11497 1 596 . 1 1 52 52 LEU HA H 1 4.184 0.040 . 1 . . . A 102 LEU HA . 11497 1 597 . 1 1 52 52 LEU HB2 H 1 1.322 0.040 . 2 . . . A 102 LEU HB2 . 11497 1 598 . 1 1 52 52 LEU HB3 H 1 0.243 0.040 . 2 . . . A 102 LEU HB3 . 11497 1 599 . 1 1 52 52 LEU HG H 1 1.626 0.040 . 1 . . . A 102 LEU HG . 11497 1 600 . 1 1 52 52 LEU HD11 H 1 0.651 0.040 . 2 . . . A 102 LEU HD11 . 11497 1 601 . 1 1 52 52 LEU HD12 H 1 0.651 0.040 . 2 . . . A 102 LEU HD12 . 11497 1 602 . 1 1 52 52 LEU HD13 H 1 0.651 0.040 . 2 . . . A 102 LEU HD13 . 11497 1 603 . 1 1 52 52 LEU HD21 H 1 0.447 0.040 . 2 . . . A 102 LEU HD21 . 11497 1 604 . 1 1 52 52 LEU HD22 H 1 0.447 0.040 . 2 . . . A 102 LEU HD22 . 11497 1 605 . 1 1 52 52 LEU HD23 H 1 0.447 0.040 . 2 . . . A 102 LEU HD23 . 11497 1 606 . 1 1 52 52 LEU C C 13 174.624 0.450 . 1 . . . A 102 LEU C . 11497 1 607 . 1 1 52 52 LEU CA C 13 53.884 0.450 . 1 . . . A 102 LEU CA . 11497 1 608 . 1 1 52 52 LEU CB C 13 41.745 0.450 . 1 . . . A 102 LEU CB . 11497 1 609 . 1 1 52 52 LEU CD1 C 13 25.798 0.450 . 1 . . . A 102 LEU CD1 . 11497 1 610 . 1 1 52 52 LEU CD2 C 13 23.179 0.450 . 1 . . . A 102 LEU CD2 . 11497 1 611 . 1 1 52 52 LEU N N 15 128.198 0.450 . 1 . . . A 102 LEU N . 11497 1 612 . 1 1 53 53 LYS H H 1 7.909 0.040 . 1 . . . A 103 LYS H . 11497 1 613 . 1 1 53 53 LYS HA H 1 4.566 0.040 . 1 . . . A 103 LYS HA . 11497 1 614 . 1 1 53 53 LYS HB2 H 1 1.592 0.040 . 2 . . . A 103 LYS HB2 . 11497 1 615 . 1 1 53 53 LYS HB3 H 1 1.356 0.040 . 2 . . . A 103 LYS HB3 . 11497 1 616 . 1 1 53 53 LYS HG2 H 1 0.586 0.040 . 2 . . . A 103 LYS HG2 . 11497 1 617 . 1 1 53 53 LYS HG3 H 1 0.586 0.040 . 2 . . . A 103 LYS HG3 . 11497 1 618 . 1 1 53 53 LYS HD2 H 1 1.678 0.040 . 2 . . . A 103 LYS HD2 . 11497 1 619 . 1 1 53 53 LYS HD3 H 1 1.678 0.040 . 2 . . . A 103 LYS HD3 . 11497 1 620 . 1 1 53 53 LYS HE2 H 1 2.922 0.040 . 2 . . . A 103 LYS HE2 . 11497 1 621 . 1 1 53 53 LYS HE3 H 1 2.922 0.040 . 2 . . . A 103 LYS HE3 . 11497 1 622 . 1 1 53 53 LYS C C 13 175.670 0.450 . 1 . . . A 103 LYS C . 11497 1 623 . 1 1 53 53 LYS CA C 13 53.327 0.450 . 1 . . . A 103 LYS CA . 11497 1 624 . 1 1 53 53 LYS CB C 13 34.892 0.450 . 1 . . . A 103 LYS CB . 11497 1 625 . 1 1 53 53 LYS CG C 13 25.707 0.450 . 1 . . . A 103 LYS CG . 11497 1 626 . 1 1 53 53 LYS CD C 13 29.297 0.450 . 1 . . . A 103 LYS CD . 11497 1 627 . 1 1 53 53 LYS CE C 13 43.758 0.450 . 1 . . . A 103 LYS CE . 11497 1 628 . 1 1 53 53 LYS N N 15 120.746 0.450 . 1 . . . A 103 LYS N . 11497 1 629 . 1 1 54 54 TRP H H 1 9.719 0.040 . 1 . . . A 104 TRP H . 11497 1 630 . 1 1 54 54 TRP HA H 1 5.001 0.040 . 1 . . . A 104 TRP HA . 11497 1 631 . 1 1 54 54 TRP HB2 H 1 3.356 0.040 . 2 . . . A 104 TRP HB2 . 11497 1 632 . 1 1 54 54 TRP HB3 H 1 3.095 0.040 . 2 . . . A 104 TRP HB3 . 11497 1 633 . 1 1 54 54 TRP HD1 H 1 7.354 0.040 . 1 . . . A 104 TRP HD1 . 11497 1 634 . 1 1 54 54 TRP HE1 H 1 10.025 0.040 . 1 . . . A 104 TRP HE1 . 11497 1 635 . 1 1 54 54 TRP HE3 H 1 7.231 0.040 . 1 . . . A 104 TRP HE3 . 11497 1 636 . 1 1 54 54 TRP HZ2 H 1 7.097 0.040 . 1 . . . A 104 TRP HZ2 . 11497 1 637 . 1 1 54 54 TRP HZ3 H 1 6.769 0.040 . 1 . . . A 104 TRP HZ3 . 11497 1 638 . 1 1 54 54 TRP HH2 H 1 6.892 0.040 . 1 . . . A 104 TRP HH2 . 11497 1 639 . 1 1 54 54 TRP C C 13 177.350 0.450 . 1 . . . A 104 TRP C . 11497 1 640 . 1 1 54 54 TRP CA C 13 55.762 0.450 . 1 . . . A 104 TRP CA . 11497 1 641 . 1 1 54 54 TRP CB C 13 30.733 0.450 . 1 . . . A 104 TRP CB . 11497 1 642 . 1 1 54 54 TRP CD1 C 13 128.378 0.450 . 1 . . . A 104 TRP CD1 . 11497 1 643 . 1 1 54 54 TRP CE3 C 13 119.773 0.450 . 1 . . . A 104 TRP CE3 . 11497 1 644 . 1 1 54 54 TRP CZ2 C 13 113.807 0.450 . 1 . . . A 104 TRP CZ2 . 11497 1 645 . 1 1 54 54 TRP CZ3 C 13 122.523 0.450 . 1 . . . A 104 TRP CZ3 . 11497 1 646 . 1 1 54 54 TRP CH2 C 13 123.896 0.450 . 1 . . . A 104 TRP CH2 . 11497 1 647 . 1 1 54 54 TRP N N 15 131.218 0.450 . 1 . . . A 104 TRP N . 11497 1 648 . 1 1 54 54 TRP NE1 N 15 128.743 0.450 . 1 . . . A 104 TRP NE1 . 11497 1 649 . 1 1 55 55 GLU H H 1 9.526 0.040 . 1 . . . A 105 GLU H . 11497 1 650 . 1 1 55 55 GLU HA H 1 4.248 0.040 . 1 . . . A 105 GLU HA . 11497 1 651 . 1 1 55 55 GLU HB2 H 1 2.136 0.040 . 2 . . . A 105 GLU HB2 . 11497 1 652 . 1 1 55 55 GLU HB3 H 1 1.969 0.040 . 2 . . . A 105 GLU HB3 . 11497 1 653 . 1 1 55 55 GLU HG2 H 1 2.255 0.040 . 2 . . . A 105 GLU HG2 . 11497 1 654 . 1 1 55 55 GLU HG3 H 1 2.255 0.040 . 2 . . . A 105 GLU HG3 . 11497 1 655 . 1 1 55 55 GLU C C 13 178.155 0.450 . 1 . . . A 105 GLU C . 11497 1 656 . 1 1 55 55 GLU CA C 13 58.156 0.450 . 1 . . . A 105 GLU CA . 11497 1 657 . 1 1 55 55 GLU CB C 13 30.072 0.450 . 1 . . . A 105 GLU CB . 11497 1 658 . 1 1 55 55 GLU CG C 13 36.314 0.450 . 1 . . . A 105 GLU CG . 11497 1 659 . 1 1 55 55 GLU N N 15 126.136 0.450 . 1 . . . A 105 GLU N . 11497 1 660 . 1 1 56 56 GLY H H 1 9.289 0.040 . 1 . . . A 106 GLY H . 11497 1 661 . 1 1 56 56 GLY HA2 H 1 4.007 0.040 . 2 . . . A 106 GLY HA2 . 11497 1 662 . 1 1 56 56 GLY HA3 H 1 3.554 0.040 . 2 . . . A 106 GLY HA3 . 11497 1 663 . 1 1 56 56 GLY C C 13 173.506 0.450 . 1 . . . A 106 GLY C . 11497 1 664 . 1 1 56 56 GLY CA C 13 45.066 0.450 . 1 . . . A 106 GLY CA . 11497 1 665 . 1 1 56 56 GLY N N 15 114.062 0.450 . 1 . . . A 106 GLY N . 11497 1 666 . 1 1 57 57 TYR H H 1 7.587 0.040 . 1 . . . A 107 TYR H . 11497 1 667 . 1 1 57 57 TYR HA H 1 4.605 0.040 . 1 . . . A 107 TYR HA . 11497 1 668 . 1 1 57 57 TYR HB2 H 1 3.117 0.040 . 2 . . . A 107 TYR HB2 . 11497 1 669 . 1 1 57 57 TYR HB3 H 1 2.940 0.040 . 2 . . . A 107 TYR HB3 . 11497 1 670 . 1 1 57 57 TYR HD1 H 1 7.050 0.040 . 1 . . . A 107 TYR HD1 . 11497 1 671 . 1 1 57 57 TYR HD2 H 1 7.050 0.040 . 1 . . . A 107 TYR HD2 . 11497 1 672 . 1 1 57 57 TYR HE1 H 1 6.634 0.040 . 1 . . . A 107 TYR HE1 . 11497 1 673 . 1 1 57 57 TYR HE2 H 1 6.634 0.040 . 1 . . . A 107 TYR HE2 . 11497 1 674 . 1 1 57 57 TYR C C 13 176.125 0.450 . 1 . . . A 107 TYR C . 11497 1 675 . 1 1 57 57 TYR CA C 13 58.317 0.450 . 1 . . . A 107 TYR CA . 11497 1 676 . 1 1 57 57 TYR CB C 13 38.229 0.450 . 1 . . . A 107 TYR CB . 11497 1 677 . 1 1 57 57 TYR CD1 C 13 133.005 0.450 . 1 . . . A 107 TYR CD1 . 11497 1 678 . 1 1 57 57 TYR CD2 C 13 133.005 0.450 . 1 . . . A 107 TYR CD2 . 11497 1 679 . 1 1 57 57 TYR CE1 C 13 117.676 0.450 . 1 . . . A 107 TYR CE1 . 11497 1 680 . 1 1 57 57 TYR CE2 C 13 117.676 0.450 . 1 . . . A 107 TYR CE2 . 11497 1 681 . 1 1 57 57 TYR N N 15 120.567 0.450 . 1 . . . A 107 TYR N . 11497 1 682 . 1 1 58 58 ASP H H 1 8.568 0.040 . 1 . . . A 108 ASP H . 11497 1 683 . 1 1 58 58 ASP HA H 1 4.686 0.040 . 1 . . . A 108 ASP HA . 11497 1 684 . 1 1 58 58 ASP HB2 H 1 2.829 0.040 . 2 . . . A 108 ASP HB2 . 11497 1 685 . 1 1 58 58 ASP HB3 H 1 2.460 0.040 . 2 . . . A 108 ASP HB3 . 11497 1 686 . 1 1 58 58 ASP C C 13 176.332 0.450 . 1 . . . A 108 ASP C . 11497 1 687 . 1 1 58 58 ASP CA C 13 54.400 0.450 . 1 . . . A 108 ASP CA . 11497 1 688 . 1 1 58 58 ASP CB C 13 41.724 0.450 . 1 . . . A 108 ASP CB . 11497 1 689 . 1 1 58 58 ASP N N 15 122.823 0.450 . 1 . . . A 108 ASP N . 11497 1 690 . 1 1 59 59 ASP H H 1 9.102 0.040 . 1 . . . A 109 ASP H . 11497 1 691 . 1 1 59 59 ASP HA H 1 4.880 0.040 . 1 . . . A 109 ASP HA . 11497 1 692 . 1 1 59 59 ASP HB2 H 1 2.984 0.040 . 2 . . . A 109 ASP HB2 . 11497 1 693 . 1 1 59 59 ASP HB3 H 1 2.589 0.040 . 2 . . . A 109 ASP HB3 . 11497 1 694 . 1 1 59 59 ASP C C 13 176.402 0.450 . 1 . . . A 109 ASP C . 11497 1 695 . 1 1 59 59 ASP CA C 13 52.565 0.450 . 1 . . . A 109 ASP CA . 11497 1 696 . 1 1 59 59 ASP CB C 13 42.651 0.450 . 1 . . . A 109 ASP CB . 11497 1 697 . 1 1 59 59 ASP N N 15 125.790 0.450 . 1 . . . A 109 ASP N . 11497 1 698 . 1 1 60 60 PRO HA H 1 4.292 0.040 . 1 . . . A 110 PRO HA . 11497 1 699 . 1 1 60 60 PRO HB2 H 1 1.940 0.040 . 2 . . . A 110 PRO HB2 . 11497 1 700 . 1 1 60 60 PRO HB3 H 1 2.294 0.040 . 2 . . . A 110 PRO HB3 . 11497 1 701 . 1 1 60 60 PRO HG2 H 1 2.012 0.040 . 2 . . . A 110 PRO HG2 . 11497 1 702 . 1 1 60 60 PRO HG3 H 1 2.052 0.040 . 2 . . . A 110 PRO HG3 . 11497 1 703 . 1 1 60 60 PRO HD2 H 1 3.960 0.040 . 2 . . . A 110 PRO HD2 . 11497 1 704 . 1 1 60 60 PRO HD3 H 1 3.813 0.040 . 2 . . . A 110 PRO HD3 . 11497 1 705 . 1 1 60 60 PRO C C 13 178.785 0.450 . 1 . . . A 110 PRO C . 11497 1 706 . 1 1 60 60 PRO CA C 13 64.631 0.450 . 1 . . . A 110 PRO CA . 11497 1 707 . 1 1 60 60 PRO CB C 13 32.288 0.450 . 1 . . . A 110 PRO CB . 11497 1 708 . 1 1 60 60 PRO CG C 13 27.600 0.450 . 1 . . . A 110 PRO CG . 11497 1 709 . 1 1 60 60 PRO CD C 13 50.999 0.450 . 1 . . . A 110 PRO CD . 11497 1 710 . 1 1 61 61 SER H H 1 8.816 0.040 . 1 . . . A 111 SER H . 11497 1 711 . 1 1 61 61 SER HA H 1 4.313 0.040 . 1 . . . A 111 SER HA . 11497 1 712 . 1 1 61 61 SER HB2 H 1 3.871 0.040 . 2 . . . A 111 SER HB2 . 11497 1 713 . 1 1 61 61 SER HB3 H 1 3.871 0.040 . 2 . . . A 111 SER HB3 . 11497 1 714 . 1 1 61 61 SER C C 13 175.009 0.450 . 1 . . . A 111 SER C . 11497 1 715 . 1 1 61 61 SER CA C 13 60.411 0.450 . 1 . . . A 111 SER CA . 11497 1 716 . 1 1 61 61 SER CB C 13 63.346 0.450 . 1 . . . A 111 SER CB . 11497 1 717 . 1 1 61 61 SER N N 15 113.675 0.450 . 1 . . . A 111 SER N . 11497 1 718 . 1 1 62 62 ASP H H 1 8.277 0.040 . 1 . . . A 112 ASP H . 11497 1 719 . 1 1 62 62 ASP HA H 1 4.700 0.040 . 1 . . . A 112 ASP HA . 11497 1 720 . 1 1 62 62 ASP HB2 H 1 2.873 0.040 . 2 . . . A 112 ASP HB2 . 11497 1 721 . 1 1 62 62 ASP HB3 H 1 2.739 0.040 . 2 . . . A 112 ASP HB3 . 11497 1 722 . 1 1 62 62 ASP C C 13 176.739 0.450 . 1 . . . A 112 ASP C . 11497 1 723 . 1 1 62 62 ASP CA C 13 55.782 0.450 . 1 . . . A 112 ASP CA . 11497 1 724 . 1 1 62 62 ASP CB C 13 42.723 0.450 . 1 . . . A 112 ASP CB . 11497 1 725 . 1 1 62 62 ASP N N 15 120.081 0.450 . 1 . . . A 112 ASP N . 11497 1 726 . 1 1 63 63 ASN H H 1 7.201 0.040 . 1 . . . A 113 ASN H . 11497 1 727 . 1 1 63 63 ASN HA H 1 4.994 0.040 . 1 . . . A 113 ASN HA . 11497 1 728 . 1 1 63 63 ASN HB2 H 1 2.594 0.040 . 2 . . . A 113 ASN HB2 . 11497 1 729 . 1 1 63 63 ASN HB3 H 1 2.322 0.040 . 2 . . . A 113 ASN HB3 . 11497 1 730 . 1 1 63 63 ASN C C 13 175.871 0.450 . 1 . . . A 113 ASN C . 11497 1 731 . 1 1 63 63 ASN CA C 13 53.504 0.450 . 1 . . . A 113 ASN CA . 11497 1 732 . 1 1 63 63 ASN CB C 13 37.607 0.450 . 1 . . . A 113 ASN CB . 11497 1 733 . 1 1 63 63 ASN N N 15 118.168 0.450 . 1 . . . A 113 ASN N . 11497 1 734 . 1 1 64 64 THR H H 1 8.270 0.040 . 1 . . . A 114 THR H . 11497 1 735 . 1 1 64 64 THR HA H 1 4.762 0.040 . 1 . . . A 114 THR HA . 11497 1 736 . 1 1 64 64 THR HB H 1 4.066 0.040 . 1 . . . A 114 THR HB . 11497 1 737 . 1 1 64 64 THR HG21 H 1 1.259 0.040 . 1 . . . A 114 THR HG21 . 11497 1 738 . 1 1 64 64 THR HG22 H 1 1.259 0.040 . 1 . . . A 114 THR HG22 . 11497 1 739 . 1 1 64 64 THR HG23 H 1 1.259 0.040 . 1 . . . A 114 THR HG23 . 11497 1 740 . 1 1 64 64 THR C C 13 173.709 0.450 . 1 . . . A 114 THR C . 11497 1 741 . 1 1 64 64 THR CA C 13 60.607 0.450 . 1 . . . A 114 THR CA . 11497 1 742 . 1 1 64 64 THR CB C 13 72.265 0.450 . 1 . . . A 114 THR CB . 11497 1 743 . 1 1 64 64 THR CG2 C 13 21.760 0.450 . 1 . . . A 114 THR CG2 . 11497 1 744 . 1 1 64 64 THR N N 15 114.778 0.450 . 1 . . . A 114 THR N . 11497 1 745 . 1 1 65 65 TRP H H 1 8.786 0.040 . 1 . . . A 115 TRP H . 11497 1 746 . 1 1 65 65 TRP HA H 1 5.143 0.040 . 1 . . . A 115 TRP HA . 11497 1 747 . 1 1 65 65 TRP HB2 H 1 2.978 0.040 . 2 . . . A 115 TRP HB2 . 11497 1 748 . 1 1 65 65 TRP HB3 H 1 2.772 0.040 . 2 . . . A 115 TRP HB3 . 11497 1 749 . 1 1 65 65 TRP HD1 H 1 7.114 0.040 . 1 . . . A 115 TRP HD1 . 11497 1 750 . 1 1 65 65 TRP HE1 H 1 10.028 0.040 . 1 . . . A 115 TRP HE1 . 11497 1 751 . 1 1 65 65 TRP HE3 H 1 7.136 0.040 . 1 . . . A 115 TRP HE3 . 11497 1 752 . 1 1 65 65 TRP HZ2 H 1 6.212 0.040 . 1 . . . A 115 TRP HZ2 . 11497 1 753 . 1 1 65 65 TRP HZ3 H 1 6.627 0.040 . 1 . . . A 115 TRP HZ3 . 11497 1 754 . 1 1 65 65 TRP HH2 H 1 5.336 0.040 . 1 . . . A 115 TRP HH2 . 11497 1 755 . 1 1 65 65 TRP C C 13 177.567 0.450 . 1 . . . A 115 TRP C . 11497 1 756 . 1 1 65 65 TRP CA C 13 57.044 0.450 . 1 . . . A 115 TRP CA . 11497 1 757 . 1 1 65 65 TRP CB C 13 30.224 0.450 . 1 . . . A 115 TRP CB . 11497 1 758 . 1 1 65 65 TRP CD1 C 13 127.687 0.450 . 1 . . . A 115 TRP CD1 . 11497 1 759 . 1 1 65 65 TRP CE3 C 13 120.021 0.450 . 1 . . . A 115 TRP CE3 . 11497 1 760 . 1 1 65 65 TRP CZ2 C 13 113.605 0.450 . 1 . . . A 115 TRP CZ2 . 11497 1 761 . 1 1 65 65 TRP CZ3 C 13 121.656 0.450 . 1 . . . A 115 TRP CZ3 . 11497 1 762 . 1 1 65 65 TRP CH2 C 13 123.701 0.450 . 1 . . . A 115 TRP CH2 . 11497 1 763 . 1 1 65 65 TRP N N 15 126.840 0.450 . 1 . . . A 115 TRP N . 11497 1 764 . 1 1 65 65 TRP NE1 N 15 129.750 0.450 . 1 . . . A 115 TRP NE1 . 11497 1 765 . 1 1 66 66 SER H H 1 9.565 0.040 . 1 . . . A 116 SER H . 11497 1 766 . 1 1 66 66 SER HA H 1 5.057 0.040 . 1 . . . A 116 SER HA . 11497 1 767 . 1 1 66 66 SER HB2 H 1 3.749 0.040 . 2 . . . A 116 SER HB2 . 11497 1 768 . 1 1 66 66 SER HB3 H 1 3.508 0.040 . 2 . . . A 116 SER HB3 . 11497 1 769 . 1 1 66 66 SER C C 13 174.223 0.450 . 1 . . . A 116 SER C . 11497 1 770 . 1 1 66 66 SER CA C 13 57.185 0.450 . 1 . . . A 116 SER CA . 11497 1 771 . 1 1 66 66 SER CB C 13 66.961 0.450 . 1 . . . A 116 SER CB . 11497 1 772 . 1 1 66 66 SER N N 15 119.341 0.450 . 1 . . . A 116 SER N . 11497 1 773 . 1 1 67 67 SER H H 1 9.592 0.040 . 1 . . . A 117 SER H . 11497 1 774 . 1 1 67 67 SER HA H 1 4.319 0.040 . 1 . . . A 117 SER HA . 11497 1 775 . 1 1 67 67 SER HB2 H 1 3.858 0.040 . 2 . . . A 117 SER HB2 . 11497 1 776 . 1 1 67 67 SER HB3 H 1 3.858 0.040 . 2 . . . A 117 SER HB3 . 11497 1 777 . 1 1 67 67 SER C C 13 175.611 0.450 . 1 . . . A 117 SER C . 11497 1 778 . 1 1 67 67 SER CA C 13 59.352 0.450 . 1 . . . A 117 SER CA . 11497 1 779 . 1 1 67 67 SER CB C 13 64.507 0.450 . 1 . . . A 117 SER CB . 11497 1 780 . 1 1 67 67 SER N N 15 122.915 0.450 . 1 . . . A 117 SER N . 11497 1 781 . 1 1 68 68 GLU H H 1 8.373 0.040 . 1 . . . A 118 GLU H . 11497 1 782 . 1 1 68 68 GLU HA H 1 3.995 0.040 . 1 . . . A 118 GLU HA . 11497 1 783 . 1 1 68 68 GLU HB2 H 1 2.767 0.040 . 2 . . . A 118 GLU HB2 . 11497 1 784 . 1 1 68 68 GLU HB3 H 1 2.392 0.040 . 2 . . . A 118 GLU HB3 . 11497 1 785 . 1 1 68 68 GLU HG2 H 1 2.690 0.040 . 2 . . . A 118 GLU HG2 . 11497 1 786 . 1 1 68 68 GLU HG3 H 1 2.690 0.040 . 2 . . . A 118 GLU HG3 . 11497 1 787 . 1 1 68 68 GLU C C 13 179.223 0.450 . 1 . . . A 118 GLU C . 11497 1 788 . 1 1 68 68 GLU CA C 13 61.798 0.450 . 1 . . . A 118 GLU CA . 11497 1 789 . 1 1 68 68 GLU CB C 13 29.405 0.450 . 1 . . . A 118 GLU CB . 11497 1 790 . 1 1 68 68 GLU CG C 13 35.920 0.450 . 1 . . . A 118 GLU CG . 11497 1 791 . 1 1 68 68 GLU N N 15 123.324 0.450 . 1 . . . A 118 GLU N . 11497 1 792 . 1 1 69 69 ALA H H 1 8.854 0.040 . 1 . . . A 119 ALA H . 11497 1 793 . 1 1 69 69 ALA HA H 1 4.145 0.040 . 1 . . . A 119 ALA HA . 11497 1 794 . 1 1 69 69 ALA HB1 H 1 1.444 0.040 . 1 . . . A 119 ALA HB1 . 11497 1 795 . 1 1 69 69 ALA HB2 H 1 1.444 0.040 . 1 . . . A 119 ALA HB2 . 11497 1 796 . 1 1 69 69 ALA HB3 H 1 1.444 0.040 . 1 . . . A 119 ALA HB3 . 11497 1 797 . 1 1 69 69 ALA C C 13 179.543 0.450 . 1 . . . A 119 ALA C . 11497 1 798 . 1 1 69 69 ALA CA C 13 55.067 0.450 . 1 . . . A 119 ALA CA . 11497 1 799 . 1 1 69 69 ALA CB C 13 18.236 0.450 . 1 . . . A 119 ALA CB . 11497 1 800 . 1 1 69 69 ALA N N 15 120.560 0.450 . 1 . . . A 119 ALA N . 11497 1 801 . 1 1 70 70 ASP H H 1 7.790 0.040 . 1 . . . A 120 ASP H . 11497 1 802 . 1 1 70 70 ASP HA H 1 4.824 0.040 . 1 . . . A 120 ASP HA . 11497 1 803 . 1 1 70 70 ASP HB2 H 1 3.009 0.040 . 2 . . . A 120 ASP HB2 . 11497 1 804 . 1 1 70 70 ASP HB3 H 1 2.961 0.040 . 2 . . . A 120 ASP HB3 . 11497 1 805 . 1 1 70 70 ASP C C 13 177.319 0.450 . 1 . . . A 120 ASP C . 11497 1 806 . 1 1 70 70 ASP CA C 13 55.623 0.450 . 1 . . . A 120 ASP CA . 11497 1 807 . 1 1 70 70 ASP CB C 13 40.551 0.450 . 1 . . . A 120 ASP CB . 11497 1 808 . 1 1 70 70 ASP N N 15 117.212 0.450 . 1 . . . A 120 ASP N . 11497 1 809 . 1 1 71 71 CYS H H 1 7.683 0.040 . 1 . . . A 121 CYS H . 11497 1 810 . 1 1 71 71 CYS HA H 1 4.636 0.040 . 1 . . . A 121 CYS HA . 11497 1 811 . 1 1 71 71 CYS HB2 H 1 3.130 0.040 . 2 . . . A 121 CYS HB2 . 11497 1 812 . 1 1 71 71 CYS HB3 H 1 2.910 0.040 . 2 . . . A 121 CYS HB3 . 11497 1 813 . 1 1 71 71 CYS C C 13 175.403 0.450 . 1 . . . A 121 CYS C . 11497 1 814 . 1 1 71 71 CYS CA C 13 59.781 0.450 . 1 . . . A 121 CYS CA . 11497 1 815 . 1 1 71 71 CYS CB C 13 27.575 0.450 . 1 . . . A 121 CYS CB . 11497 1 816 . 1 1 71 71 CYS N N 15 117.834 0.450 . 1 . . . A 121 CYS N . 11497 1 817 . 1 1 72 72 SER H H 1 7.856 0.040 . 1 . . . A 122 SER H . 11497 1 818 . 1 1 72 72 SER HA H 1 4.171 0.040 . 1 . . . A 122 SER HA . 11497 1 819 . 1 1 72 72 SER HB2 H 1 4.014 0.040 . 2 . . . A 122 SER HB2 . 11497 1 820 . 1 1 72 72 SER HB3 H 1 4.014 0.040 . 2 . . . A 122 SER HB3 . 11497 1 821 . 1 1 72 72 SER C C 13 176.671 0.450 . 1 . . . A 122 SER C . 11497 1 822 . 1 1 72 72 SER CA C 13 61.639 0.450 . 1 . . . A 122 SER CA . 11497 1 823 . 1 1 72 72 SER CB C 13 62.528 0.450 . 1 . . . A 122 SER CB . 11497 1 824 . 1 1 72 72 SER N N 15 116.786 0.450 . 1 . . . A 122 SER N . 11497 1 825 . 1 1 73 73 GLY H H 1 9.012 0.040 . 1 . . . A 123 GLY H . 11497 1 826 . 1 1 73 73 GLY HA2 H 1 4.261 0.040 . 2 . . . A 123 GLY HA2 . 11497 1 827 . 1 1 73 73 GLY HA3 H 1 3.860 0.040 . 2 . . . A 123 GLY HA3 . 11497 1 828 . 1 1 73 73 GLY C C 13 174.558 0.450 . 1 . . . A 123 GLY C . 11497 1 829 . 1 1 73 73 GLY CA C 13 45.565 0.450 . 1 . . . A 123 GLY CA . 11497 1 830 . 1 1 73 73 GLY N N 15 109.076 0.450 . 1 . . . A 123 GLY N . 11497 1 831 . 1 1 74 74 CYS H H 1 7.981 0.040 . 1 . . . A 124 CYS H . 11497 1 832 . 1 1 74 74 CYS HA H 1 5.235 0.040 . 1 . . . A 124 CYS HA . 11497 1 833 . 1 1 74 74 CYS HB2 H 1 2.978 0.040 . 2 . . . A 124 CYS HB2 . 11497 1 834 . 1 1 74 74 CYS HB3 H 1 2.575 0.040 . 2 . . . A 124 CYS HB3 . 11497 1 835 . 1 1 74 74 CYS C C 13 175.443 0.450 . 1 . . . A 124 CYS C . 11497 1 836 . 1 1 74 74 CYS CA C 13 55.444 0.450 . 1 . . . A 124 CYS CA . 11497 1 837 . 1 1 74 74 CYS CB C 13 27.405 0.450 . 1 . . . A 124 CYS CB . 11497 1 838 . 1 1 74 74 CYS N N 15 115.312 0.450 . 1 . . . A 124 CYS N . 11497 1 839 . 1 1 75 75 LYS H H 1 7.698 0.040 . 1 . . . A 125 LYS H . 11497 1 840 . 1 1 75 75 LYS HA H 1 3.832 0.040 . 1 . . . A 125 LYS HA . 11497 1 841 . 1 1 75 75 LYS HB2 H 1 1.935 0.040 . 2 . . . A 125 LYS HB2 . 11497 1 842 . 1 1 75 75 LYS HB3 H 1 1.935 0.040 . 2 . . . A 125 LYS HB3 . 11497 1 843 . 1 1 75 75 LYS HG2 H 1 1.494 0.040 . 2 . . . A 125 LYS HG2 . 11497 1 844 . 1 1 75 75 LYS HG3 H 1 1.494 0.040 . 2 . . . A 125 LYS HG3 . 11497 1 845 . 1 1 75 75 LYS HD2 H 1 1.713 0.040 . 2 . . . A 125 LYS HD2 . 11497 1 846 . 1 1 75 75 LYS HD3 H 1 1.713 0.040 . 2 . . . A 125 LYS HD3 . 11497 1 847 . 1 1 75 75 LYS HE2 H 1 3.006 0.040 . 2 . . . A 125 LYS HE2 . 11497 1 848 . 1 1 75 75 LYS HE3 H 1 3.006 0.040 . 2 . . . A 125 LYS HE3 . 11497 1 849 . 1 1 75 75 LYS C C 13 178.551 0.450 . 1 . . . A 125 LYS C . 11497 1 850 . 1 1 75 75 LYS CA C 13 60.276 0.450 . 1 . . . A 125 LYS CA . 11497 1 851 . 1 1 75 75 LYS CB C 13 32.339 0.450 . 1 . . . A 125 LYS CB . 11497 1 852 . 1 1 75 75 LYS CG C 13 24.737 0.450 . 1 . . . A 125 LYS CG . 11497 1 853 . 1 1 75 75 LYS CD C 13 29.119 0.450 . 1 . . . A 125 LYS CD . 11497 1 854 . 1 1 75 75 LYS CE C 13 41.744 0.450 . 1 . . . A 125 LYS CE . 11497 1 855 . 1 1 75 75 LYS N N 15 122.390 0.450 . 1 . . . A 125 LYS N . 11497 1 856 . 1 1 76 76 GLN H H 1 9.154 0.040 . 1 . . . A 126 GLN H . 11497 1 857 . 1 1 76 76 GLN HA H 1 4.191 0.040 . 1 . . . A 126 GLN HA . 11497 1 858 . 1 1 76 76 GLN HB2 H 1 2.063 0.040 . 2 . . . A 126 GLN HB2 . 11497 1 859 . 1 1 76 76 GLN HB3 H 1 2.063 0.040 . 2 . . . A 126 GLN HB3 . 11497 1 860 . 1 1 76 76 GLN HG2 H 1 2.494 0.040 . 2 . . . A 126 GLN HG2 . 11497 1 861 . 1 1 76 76 GLN HG3 H 1 2.368 0.040 . 2 . . . A 126 GLN HG3 . 11497 1 862 . 1 1 76 76 GLN HE21 H 1 6.996 0.040 . 2 . . . A 126 GLN HE21 . 11497 1 863 . 1 1 76 76 GLN HE22 H 1 7.593 0.040 . 2 . . . A 126 GLN HE22 . 11497 1 864 . 1 1 76 76 GLN C C 13 178.969 0.450 . 1 . . . A 126 GLN C . 11497 1 865 . 1 1 76 76 GLN CA C 13 58.988 0.450 . 1 . . . A 126 GLN CA . 11497 1 866 . 1 1 76 76 GLN CB C 13 27.256 0.450 . 1 . . . A 126 GLN CB . 11497 1 867 . 1 1 76 76 GLN CG C 13 33.840 0.450 . 1 . . . A 126 GLN CG . 11497 1 868 . 1 1 76 76 GLN CD C 13 180.406 0.450 . 1 . . . A 126 GLN CD . 11497 1 869 . 1 1 76 76 GLN N N 15 118.806 0.450 . 1 . . . A 126 GLN N . 11497 1 870 . 1 1 76 76 GLN NE2 N 15 112.043 0.450 . 1 . . . A 126 GLN NE2 . 11497 1 871 . 1 1 77 77 LEU H H 1 7.535 0.040 . 1 . . . A 127 LEU H . 11497 1 872 . 1 1 77 77 LEU HA H 1 4.182 0.040 . 1 . . . A 127 LEU HA . 11497 1 873 . 1 1 77 77 LEU HB2 H 1 1.749 0.040 . 2 . . . A 127 LEU HB2 . 11497 1 874 . 1 1 77 77 LEU HB3 H 1 1.343 0.040 . 2 . . . A 127 LEU HB3 . 11497 1 875 . 1 1 77 77 LEU HG H 1 1.624 0.040 . 1 . . . A 127 LEU HG . 11497 1 876 . 1 1 77 77 LEU HD11 H 1 0.658 0.040 . 2 . . . A 127 LEU HD11 . 11497 1 877 . 1 1 77 77 LEU HD12 H 1 0.658 0.040 . 2 . . . A 127 LEU HD12 . 11497 1 878 . 1 1 77 77 LEU HD13 H 1 0.658 0.040 . 2 . . . A 127 LEU HD13 . 11497 1 879 . 1 1 77 77 LEU HD21 H 1 0.781 0.040 . 2 . . . A 127 LEU HD21 . 11497 1 880 . 1 1 77 77 LEU HD22 H 1 0.781 0.040 . 2 . . . A 127 LEU HD22 . 11497 1 881 . 1 1 77 77 LEU HD23 H 1 0.781 0.040 . 2 . . . A 127 LEU HD23 . 11497 1 882 . 1 1 77 77 LEU C C 13 180.283 0.450 . 1 . . . A 127 LEU C . 11497 1 883 . 1 1 77 77 LEU CA C 13 56.889 0.450 . 1 . . . A 127 LEU CA . 11497 1 884 . 1 1 77 77 LEU CB C 13 41.704 0.450 . 1 . . . A 127 LEU CB . 11497 1 885 . 1 1 77 77 LEU CG C 13 26.612 0.450 . 1 . . . A 127 LEU CG . 11497 1 886 . 1 1 77 77 LEU CD1 C 13 26.343 0.450 . 1 . . . A 127 LEU CD1 . 11497 1 887 . 1 1 77 77 LEU CD2 C 13 22.597 0.450 . 1 . . . A 127 LEU CD2 . 11497 1 888 . 1 1 77 77 LEU N N 15 120.257 0.450 . 1 . . . A 127 LEU N . 11497 1 889 . 1 1 78 78 ILE H H 1 7.510 0.040 . 1 . . . A 128 ILE H . 11497 1 890 . 1 1 78 78 ILE HA H 1 3.243 0.040 . 1 . . . A 128 ILE HA . 11497 1 891 . 1 1 78 78 ILE HB H 1 1.932 0.040 . 1 . . . A 128 ILE HB . 11497 1 892 . 1 1 78 78 ILE HG12 H 1 1.064 0.040 . 2 . . . A 128 ILE HG12 . 11497 1 893 . 1 1 78 78 ILE HG13 H 1 0.250 0.040 . 2 . . . A 128 ILE HG13 . 11497 1 894 . 1 1 78 78 ILE HG21 H 1 0.703 0.040 . 1 . . . A 128 ILE HG21 . 11497 1 895 . 1 1 78 78 ILE HG22 H 1 0.703 0.040 . 1 . . . A 128 ILE HG22 . 11497 1 896 . 1 1 78 78 ILE HG23 H 1 0.703 0.040 . 1 . . . A 128 ILE HG23 . 11497 1 897 . 1 1 78 78 ILE HD11 H 1 0.306 0.040 . 1 . . . A 128 ILE HD11 . 11497 1 898 . 1 1 78 78 ILE HD12 H 1 0.306 0.040 . 1 . . . A 128 ILE HD12 . 11497 1 899 . 1 1 78 78 ILE HD13 H 1 0.306 0.040 . 1 . . . A 128 ILE HD13 . 11497 1 900 . 1 1 78 78 ILE C C 13 177.139 0.450 . 1 . . . A 128 ILE C . 11497 1 901 . 1 1 78 78 ILE CA C 13 64.410 0.450 . 1 . . . A 128 ILE CA . 11497 1 902 . 1 1 78 78 ILE CB C 13 37.409 0.450 . 1 . . . A 128 ILE CB . 11497 1 903 . 1 1 78 78 ILE CG1 C 13 28.781 0.450 . 1 . . . A 128 ILE CG1 . 11497 1 904 . 1 1 78 78 ILE CG2 C 13 18.129 0.450 . 1 . . . A 128 ILE CG2 . 11497 1 905 . 1 1 78 78 ILE CD1 C 13 12.777 0.450 . 1 . . . A 128 ILE CD1 . 11497 1 906 . 1 1 78 78 ILE N N 15 123.086 0.450 . 1 . . . A 128 ILE N . 11497 1 907 . 1 1 79 79 GLU H H 1 8.028 0.040 . 1 . . . A 129 GLU H . 11497 1 908 . 1 1 79 79 GLU HA H 1 4.220 0.040 . 1 . . . A 129 GLU HA . 11497 1 909 . 1 1 79 79 GLU HB2 H 1 2.091 0.040 . 2 . . . A 129 GLU HB2 . 11497 1 910 . 1 1 79 79 GLU HB3 H 1 2.091 0.040 . 2 . . . A 129 GLU HB3 . 11497 1 911 . 1 1 79 79 GLU HG2 H 1 2.413 0.040 . 2 . . . A 129 GLU HG2 . 11497 1 912 . 1 1 79 79 GLU HG3 H 1 2.335 0.040 . 2 . . . A 129 GLU HG3 . 11497 1 913 . 1 1 79 79 GLU C C 13 179.198 0.450 . 1 . . . A 129 GLU C . 11497 1 914 . 1 1 79 79 GLU CA C 13 59.387 0.450 . 1 . . . A 129 GLU CA . 11497 1 915 . 1 1 79 79 GLU CB C 13 28.887 0.450 . 1 . . . A 129 GLU CB . 11497 1 916 . 1 1 79 79 GLU CG C 13 36.165 0.450 . 1 . . . A 129 GLU CG . 11497 1 917 . 1 1 79 79 GLU N N 15 119.106 0.450 . 1 . . . A 129 GLU N . 11497 1 918 . 1 1 80 80 ALA H H 1 7.885 0.040 . 1 . . . A 130 ALA H . 11497 1 919 . 1 1 80 80 ALA HA H 1 4.165 0.040 . 1 . . . A 130 ALA HA . 11497 1 920 . 1 1 80 80 ALA HB1 H 1 1.494 0.040 . 1 . . . A 130 ALA HB1 . 11497 1 921 . 1 1 80 80 ALA HB2 H 1 1.494 0.040 . 1 . . . A 130 ALA HB2 . 11497 1 922 . 1 1 80 80 ALA HB3 H 1 1.494 0.040 . 1 . . . A 130 ALA HB3 . 11497 1 923 . 1 1 80 80 ALA C C 13 179.792 0.450 . 1 . . . A 130 ALA C . 11497 1 924 . 1 1 80 80 ALA CA C 13 55.202 0.450 . 1 . . . A 130 ALA CA . 11497 1 925 . 1 1 80 80 ALA CB C 13 17.933 0.450 . 1 . . . A 130 ALA CB . 11497 1 926 . 1 1 80 80 ALA N N 15 120.816 0.450 . 1 . . . A 130 ALA N . 11497 1 927 . 1 1 81 81 TYR H H 1 7.686 0.040 . 1 . . . A 131 TYR H . 11497 1 928 . 1 1 81 81 TYR HA H 1 4.175 0.040 . 1 . . . A 131 TYR HA . 11497 1 929 . 1 1 81 81 TYR HB2 H 1 3.021 0.040 . 2 . . . A 131 TYR HB2 . 11497 1 930 . 1 1 81 81 TYR HB3 H 1 2.805 0.040 . 2 . . . A 131 TYR HB3 . 11497 1 931 . 1 1 81 81 TYR C C 13 179.470 0.450 . 1 . . . A 131 TYR C . 11497 1 932 . 1 1 81 81 TYR CA C 13 61.653 0.450 . 1 . . . A 131 TYR CA . 11497 1 933 . 1 1 81 81 TYR CB C 13 37.030 0.450 . 1 . . . A 131 TYR CB . 11497 1 934 . 1 1 81 81 TYR N N 15 119.873 0.450 . 1 . . . A 131 TYR N . 11497 1 935 . 1 1 82 82 TRP H H 1 8.477 0.040 . 1 . . . A 132 TRP H . 11497 1 936 . 1 1 82 82 TRP HA H 1 4.382 0.040 . 1 . . . A 132 TRP HA . 11497 1 937 . 1 1 82 82 TRP HB2 H 1 3.133 0.040 . 2 . . . A 132 TRP HB2 . 11497 1 938 . 1 1 82 82 TRP HB3 H 1 3.040 0.040 . 2 . . . A 132 TRP HB3 . 11497 1 939 . 1 1 82 82 TRP HD1 H 1 7.068 0.040 . 1 . . . A 132 TRP HD1 . 11497 1 940 . 1 1 82 82 TRP HE1 H 1 9.983 0.040 . 1 . . . A 132 TRP HE1 . 11497 1 941 . 1 1 82 82 TRP HE3 H 1 7.040 0.040 . 1 . . . A 132 TRP HE3 . 11497 1 942 . 1 1 82 82 TRP HZ2 H 1 7.261 0.040 . 1 . . . A 132 TRP HZ2 . 11497 1 943 . 1 1 82 82 TRP HZ3 H 1 6.910 0.040 . 1 . . . A 132 TRP HZ3 . 11497 1 944 . 1 1 82 82 TRP HH2 H 1 6.482 0.040 . 1 . . . A 132 TRP HH2 . 11497 1 945 . 1 1 82 82 TRP C C 13 180.320 0.450 . 1 . . . A 132 TRP C . 11497 1 946 . 1 1 82 82 TRP CA C 13 60.239 0.450 . 1 . . . A 132 TRP CA . 11497 1 947 . 1 1 82 82 TRP CB C 13 29.304 0.450 . 1 . . . A 132 TRP CB . 11497 1 948 . 1 1 82 82 TRP CD1 C 13 127.656 0.450 . 1 . . . A 132 TRP CD1 . 11497 1 949 . 1 1 82 82 TRP CE3 C 13 118.603 0.450 . 1 . . . A 132 TRP CE3 . 11497 1 950 . 1 1 82 82 TRP CZ2 C 13 114.384 0.450 . 1 . . . A 132 TRP CZ2 . 11497 1 951 . 1 1 82 82 TRP CZ3 C 13 119.968 0.450 . 1 . . . A 132 TRP CZ3 . 11497 1 952 . 1 1 82 82 TRP CH2 C 13 122.349 0.450 . 1 . . . A 132 TRP CH2 . 11497 1 953 . 1 1 82 82 TRP N N 15 121.998 0.450 . 1 . . . A 132 TRP N . 11497 1 954 . 1 1 82 82 TRP NE1 N 15 126.519 0.450 . 1 . . . A 132 TRP NE1 . 11497 1 955 . 1 1 83 83 ASN H H 1 8.611 0.040 . 1 . . . A 133 ASN H . 11497 1 956 . 1 1 83 83 ASN HA H 1 4.467 0.040 . 1 . . . A 133 ASN HA . 11497 1 957 . 1 1 83 83 ASN HB2 H 1 2.947 0.040 . 2 . . . A 133 ASN HB2 . 11497 1 958 . 1 1 83 83 ASN HB3 H 1 2.874 0.040 . 2 . . . A 133 ASN HB3 . 11497 1 959 . 1 1 83 83 ASN HD21 H 1 7.038 0.040 . 2 . . . A 133 ASN HD21 . 11497 1 960 . 1 1 83 83 ASN HD22 H 1 7.666 0.040 . 2 . . . A 133 ASN HD22 . 11497 1 961 . 1 1 83 83 ASN C C 13 178.151 0.450 . 1 . . . A 133 ASN C . 11497 1 962 . 1 1 83 83 ASN CA C 13 55.915 0.450 . 1 . . . A 133 ASN CA . 11497 1 963 . 1 1 83 83 ASN CB C 13 37.863 0.450 . 1 . . . A 133 ASN CB . 11497 1 964 . 1 1 83 83 ASN CG C 13 175.861 0.450 . 1 . . . A 133 ASN CG . 11497 1 965 . 1 1 83 83 ASN N N 15 119.504 0.450 . 1 . . . A 133 ASN N . 11497 1 966 . 1 1 83 83 ASN ND2 N 15 112.432 0.450 . 1 . . . A 133 ASN ND2 . 11497 1 967 . 1 1 84 84 GLU H H 1 7.800 0.040 . 1 . . . A 134 GLU H . 11497 1 968 . 1 1 84 84 GLU HA H 1 4.174 0.040 . 1 . . . A 134 GLU HA . 11497 1 969 . 1 1 84 84 GLU HB2 H 1 1.870 0.040 . 2 . . . A 134 GLU HB2 . 11497 1 970 . 1 1 84 84 GLU HB3 H 1 1.870 0.040 . 2 . . . A 134 GLU HB3 . 11497 1 971 . 1 1 84 84 GLU HG2 H 1 2.278 0.040 . 2 . . . A 134 GLU HG2 . 11497 1 972 . 1 1 84 84 GLU HG3 H 1 2.072 0.040 . 2 . . . A 134 GLU HG3 . 11497 1 973 . 1 1 84 84 GLU C C 13 176.579 0.450 . 1 . . . A 134 GLU C . 11497 1 974 . 1 1 84 84 GLU CA C 13 57.457 0.450 . 1 . . . A 134 GLU CA . 11497 1 975 . 1 1 84 84 GLU CB C 13 29.707 0.450 . 1 . . . A 134 GLU CB . 11497 1 976 . 1 1 84 84 GLU CG C 13 36.216 0.450 . 1 . . . A 134 GLU CG . 11497 1 977 . 1 1 84 84 GLU N N 15 118.650 0.450 . 1 . . . A 134 GLU N . 11497 1 978 . 1 1 85 85 HIS H H 1 7.537 0.040 . 1 . . . A 135 HIS H . 11497 1 979 . 1 1 85 85 HIS HA H 1 4.655 0.040 . 1 . . . A 135 HIS HA . 11497 1 980 . 1 1 85 85 HIS HB2 H 1 3.586 0.040 . 2 . . . A 135 HIS HB2 . 11497 1 981 . 1 1 85 85 HIS HB3 H 1 2.271 0.040 . 2 . . . A 135 HIS HB3 . 11497 1 982 . 1 1 85 85 HIS HD2 H 1 6.908 0.040 . 1 . . . A 135 HIS HD2 . 11497 1 983 . 1 1 85 85 HIS HE1 H 1 8.403 0.040 . 1 . . . A 135 HIS HE1 . 11497 1 984 . 1 1 85 85 HIS C C 13 174.614 0.450 . 1 . . . A 135 HIS C . 11497 1 985 . 1 1 85 85 HIS CA C 13 56.126 0.450 . 1 . . . A 135 HIS CA . 11497 1 986 . 1 1 85 85 HIS CB C 13 28.170 0.450 . 1 . . . A 135 HIS CB . 11497 1 987 . 1 1 85 85 HIS CD2 C 13 120.234 0.450 . 1 . . . A 135 HIS CD2 . 11497 1 988 . 1 1 85 85 HIS CE1 C 13 136.300 0.450 . 1 . . . A 135 HIS CE1 . 11497 1 989 . 1 1 85 85 HIS N N 15 115.952 0.450 . 1 . . . A 135 HIS N . 11497 1 990 . 1 1 86 86 GLY H H 1 7.890 0.040 . 1 . . . A 136 GLY H . 11497 1 991 . 1 1 86 86 GLY HA2 H 1 4.328 0.040 . 2 . . . A 136 GLY HA2 . 11497 1 992 . 1 1 86 86 GLY HA3 H 1 3.732 0.040 . 2 . . . A 136 GLY HA3 . 11497 1 993 . 1 1 86 86 GLY C C 13 174.750 0.450 . 1 . . . A 136 GLY C . 11497 1 994 . 1 1 86 86 GLY CA C 13 45.879 0.450 . 1 . . . A 136 GLY CA . 11497 1 995 . 1 1 86 86 GLY N N 15 107.528 0.450 . 1 . . . A 136 GLY N . 11497 1 996 . 1 1 87 87 GLY H H 1 8.488 0.040 . 1 . . . A 137 GLY H . 11497 1 997 . 1 1 87 87 GLY HA2 H 1 4.344 0.040 . 2 . . . A 137 GLY HA2 . 11497 1 998 . 1 1 87 87 GLY HA3 H 1 3.555 0.040 . 2 . . . A 137 GLY HA3 . 11497 1 999 . 1 1 87 87 GLY C C 13 172.289 0.450 . 1 . . . A 137 GLY C . 11497 1 1000 . 1 1 87 87 GLY CA C 13 43.323 0.450 . 1 . . . A 137 GLY CA . 11497 1 1001 . 1 1 87 87 GLY N N 15 109.432 0.450 . 1 . . . A 137 GLY N . 11497 1 1002 . 1 1 88 88 ARG H H 1 8.316 0.040 . 1 . . . A 138 ARG H . 11497 1 1003 . 1 1 88 88 ARG HA H 1 4.677 0.040 . 1 . . . A 138 ARG HA . 11497 1 1004 . 1 1 88 88 ARG HG2 H 1 1.759 0.040 . 2 . . . A 138 ARG HG2 . 11497 1 1005 . 1 1 88 88 ARG HG3 H 1 1.473 0.040 . 2 . . . A 138 ARG HG3 . 11497 1 1006 . 1 1 88 88 ARG HD2 H 1 3.279 0.040 . 2 . . . A 138 ARG HD2 . 11497 1 1007 . 1 1 88 88 ARG HD3 H 1 2.991 0.040 . 2 . . . A 138 ARG HD3 . 11497 1 1008 . 1 1 88 88 ARG C C 13 175.083 0.450 . 1 . . . A 138 ARG C . 11497 1 1009 . 1 1 88 88 ARG CA C 13 54.476 0.450 . 1 . . . A 138 ARG CA . 11497 1 1010 . 1 1 88 88 ARG CB C 13 30.009 0.450 . 1 . . . A 138 ARG CB . 11497 1 1011 . 1 1 88 88 ARG CD C 13 42.813 0.450 . 1 . . . A 138 ARG CD . 11497 1 1012 . 1 1 88 88 ARG N N 15 123.281 0.450 . 1 . . . A 138 ARG N . 11497 1 1013 . 1 1 89 89 PRO HA H 1 4.238 0.040 . 1 . . . A 139 PRO HA . 11497 1 1014 . 1 1 89 89 PRO HB2 H 1 1.707 0.040 . 2 . . . A 139 PRO HB2 . 11497 1 1015 . 1 1 89 89 PRO HB3 H 1 2.148 0.040 . 2 . . . A 139 PRO HB3 . 11497 1 1016 . 1 1 89 89 PRO HG2 H 1 1.884 0.040 . 2 . . . A 139 PRO HG2 . 11497 1 1017 . 1 1 89 89 PRO HG3 H 1 1.884 0.040 . 2 . . . A 139 PRO HG3 . 11497 1 1018 . 1 1 89 89 PRO HD2 H 1 3.550 0.040 . 2 . . . A 139 PRO HD2 . 11497 1 1019 . 1 1 89 89 PRO HD3 H 1 3.455 0.040 . 2 . . . A 139 PRO HD3 . 11497 1 1020 . 1 1 89 89 PRO C C 13 176.648 0.450 . 1 . . . A 139 PRO C . 11497 1 1021 . 1 1 89 89 PRO CA C 13 62.746 0.450 . 1 . . . A 139 PRO CA . 11497 1 1022 . 1 1 89 89 PRO CB C 13 31.942 0.450 . 1 . . . A 139 PRO CB . 11497 1 1023 . 1 1 89 89 PRO CG C 13 24.613 0.450 . 1 . . . A 139 PRO CG . 11497 1 1024 . 1 1 89 89 PRO CD C 13 50.056 0.450 . 1 . . . A 139 PRO CD . 11497 1 1025 . 1 1 90 90 GLU H H 1 8.374 0.040 . 1 . . . A 140 GLU H . 11497 1 1026 . 1 1 90 90 GLU HA H 1 4.458 0.040 . 1 . . . A 140 GLU HA . 11497 1 1027 . 1 1 90 90 GLU HB2 H 1 1.985 0.040 . 2 . . . A 140 GLU HB2 . 11497 1 1028 . 1 1 90 90 GLU HB3 H 1 1.803 0.040 . 2 . . . A 140 GLU HB3 . 11497 1 1029 . 1 1 90 90 GLU HG2 H 1 2.228 0.040 . 2 . . . A 140 GLU HG2 . 11497 1 1030 . 1 1 90 90 GLU HG3 H 1 2.228 0.040 . 2 . . . A 140 GLU HG3 . 11497 1 1031 . 1 1 90 90 GLU C C 13 174.712 0.450 . 1 . . . A 140 GLU C . 11497 1 1032 . 1 1 90 90 GLU CA C 13 54.218 0.450 . 1 . . . A 140 GLU CA . 11497 1 1033 . 1 1 90 90 GLU CB C 13 29.484 0.450 . 1 . . . A 140 GLU CB . 11497 1 1034 . 1 1 90 90 GLU CG C 13 36.169 0.450 . 1 . . . A 140 GLU CG . 11497 1 1035 . 1 1 90 90 GLU N N 15 123.026 0.450 . 1 . . . A 140 GLU N . 11497 1 1036 . 1 1 91 91 PRO HA H 1 4.378 0.040 . 1 . . . A 141 PRO HA . 11497 1 1037 . 1 1 91 91 PRO HB2 H 1 1.914 0.040 . 2 . . . A 141 PRO HB2 . 11497 1 1038 . 1 1 91 91 PRO HB3 H 1 2.188 0.040 . 2 . . . A 141 PRO HB3 . 11497 1 1039 . 1 1 91 91 PRO HG2 H 1 1.992 0.040 . 2 . . . A 141 PRO HG2 . 11497 1 1040 . 1 1 91 91 PRO HG3 H 1 1.906 0.040 . 2 . . . A 141 PRO HG3 . 11497 1 1041 . 1 1 91 91 PRO HD2 H 1 3.736 0.040 . 2 . . . A 141 PRO HD2 . 11497 1 1042 . 1 1 91 91 PRO HD3 H 1 3.640 0.040 . 2 . . . A 141 PRO HD3 . 11497 1 1043 . 1 1 91 91 PRO C C 13 176.118 0.450 . 1 . . . A 141 PRO C . 11497 1 1044 . 1 1 91 91 PRO CA C 13 63.361 0.450 . 1 . . . A 141 PRO CA . 11497 1 1045 . 1 1 91 91 PRO CB C 13 31.911 0.450 . 1 . . . A 141 PRO CB . 11497 1 1046 . 1 1 91 91 PRO CG C 13 27.255 0.450 . 1 . . . A 141 PRO CG . 11497 1 1047 . 1 1 91 91 PRO CD C 13 50.560 0.450 . 1 . . . A 141 PRO CD . 11497 1 1048 . 1 1 92 92 SER H H 1 7.950 0.040 . 1 . . . A 142 SER H . 11497 1 1049 . 1 1 92 92 SER HA H 1 4.199 0.040 . 1 . . . A 142 SER HA . 11497 1 1050 . 1 1 92 92 SER HB2 H 1 3.791 0.040 . 2 . . . A 142 SER HB2 . 11497 1 1051 . 1 1 92 92 SER HB3 H 1 3.791 0.040 . 2 . . . A 142 SER HB3 . 11497 1 1052 . 1 1 92 92 SER C C 13 178.729 0.450 . 1 . . . A 142 SER C . 11497 1 1053 . 1 1 92 92 SER CA C 13 59.779 0.450 . 1 . . . A 142 SER CA . 11497 1 1054 . 1 1 92 92 SER CB C 13 64.783 0.450 . 1 . . . A 142 SER CB . 11497 1 1055 . 1 1 92 92 SER N N 15 122.051 0.450 . 1 . . . A 142 SER N . 11497 1 stop_ save_