data_11345 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11345 _Entry.Title ; Solution structure of the SWIRM domain of baker's yeast Transcriptional adapter 2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-10 _Entry.Accession_date 2010-08-10 _Entry.Last_release_date 2011-08-19 _Entry.Original_release_date 2011-08-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 M. Yoneyama . . . 11345 2 N. Tochio . . . 11345 3 S. Koshiba . . . 11345 4 T. Tomizawa . . . 11345 5 S. Watanabe . . . 11345 6 T. Harada . . . 11345 7 T. Umehara . . . 11345 8 A. Tanaka . . . 11345 9 T. Kigawa . . . 11345 10 S. Yokoyama . . . 11345 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 . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11345 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11345 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 382 11345 '15N chemical shifts' 87 11345 '1H chemical shifts' 627 11345 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 . . 2011-08-19 2010-08-10 original author . 11345 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2ELJ 'BMRB Entry Tracking System' 11345 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11345 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the SWIRM domain of baker's yeast Transcriptional adapter 2 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. Yoneyama . . . 11345 1 2 N. Tochio . . . 11345 1 3 S. Koshiba . . . 11345 1 4 T. Tomizawa . . . 11345 1 5 S. Watanabe . . . 11345 1 6 T. Harada . . . 11345 1 7 T. Umehara . . . 11345 1 8 A. Tanaka . . . 11345 1 9 T. Kigawa . . . 11345 1 10 S. Yokoyama . . . 11345 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11345 _Assembly.ID 1 _Assembly.Name 'Transcriptional adapter 2' _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 SWIRM 1 $entity_1 A . yes native no no . . . 11345 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2elj . . . . . . 11345 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11345 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SWIRM _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 ; GSSGSSGNMTISDIQHAPDY ALLSNDEQQLCIQLKILPKP YLVLKEVMFRELLKTGGNLS KSACRELLNIDPIKANRIYD FFQSQNWM ; _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 88 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no PDB 2ELJ . "Solution Structure Of The Swirm Domain Of Baker's Yeast Transcriptional Adapter 2" . . . . . 100.00 88 100.00 100.00 1.20e-57 . . . . 11345 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID SWIRM . 11345 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 11345 1 2 . SER . 11345 1 3 . SER . 11345 1 4 . GLY . 11345 1 5 . SER . 11345 1 6 . SER . 11345 1 7 . GLY . 11345 1 8 . ASN . 11345 1 9 . MET . 11345 1 10 . THR . 11345 1 11 . ILE . 11345 1 12 . SER . 11345 1 13 . ASP . 11345 1 14 . ILE . 11345 1 15 . GLN . 11345 1 16 . HIS . 11345 1 17 . ALA . 11345 1 18 . PRO . 11345 1 19 . ASP . 11345 1 20 . TYR . 11345 1 21 . ALA . 11345 1 22 . LEU . 11345 1 23 . LEU . 11345 1 24 . SER . 11345 1 25 . ASN . 11345 1 26 . ASP . 11345 1 27 . GLU . 11345 1 28 . GLN . 11345 1 29 . GLN . 11345 1 30 . LEU . 11345 1 31 . CYS . 11345 1 32 . ILE . 11345 1 33 . GLN . 11345 1 34 . LEU . 11345 1 35 . LYS . 11345 1 36 . ILE . 11345 1 37 . LEU . 11345 1 38 . PRO . 11345 1 39 . LYS . 11345 1 40 . PRO . 11345 1 41 . TYR . 11345 1 42 . LEU . 11345 1 43 . VAL . 11345 1 44 . LEU . 11345 1 45 . LYS . 11345 1 46 . GLU . 11345 1 47 . VAL . 11345 1 48 . MET . 11345 1 49 . PHE . 11345 1 50 . ARG . 11345 1 51 . GLU . 11345 1 52 . LEU . 11345 1 53 . LEU . 11345 1 54 . LYS . 11345 1 55 . THR . 11345 1 56 . GLY . 11345 1 57 . GLY . 11345 1 58 . ASN . 11345 1 59 . LEU . 11345 1 60 . SER . 11345 1 61 . LYS . 11345 1 62 . SER . 11345 1 63 . ALA . 11345 1 64 . CYS . 11345 1 65 . ARG . 11345 1 66 . GLU . 11345 1 67 . LEU . 11345 1 68 . LEU . 11345 1 69 . ASN . 11345 1 70 . ILE . 11345 1 71 . ASP . 11345 1 72 . PRO . 11345 1 73 . ILE . 11345 1 74 . LYS . 11345 1 75 . ALA . 11345 1 76 . ASN . 11345 1 77 . ARG . 11345 1 78 . ILE . 11345 1 79 . TYR . 11345 1 80 . ASP . 11345 1 81 . PHE . 11345 1 82 . PHE . 11345 1 83 . GLN . 11345 1 84 . SER . 11345 1 85 . GLN . 11345 1 86 . ASN . 11345 1 87 . TRP . 11345 1 88 . MET . 11345 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 11345 1 . SER 2 2 11345 1 . SER 3 3 11345 1 . GLY 4 4 11345 1 . SER 5 5 11345 1 . SER 6 6 11345 1 . GLY 7 7 11345 1 . ASN 8 8 11345 1 . MET 9 9 11345 1 . THR 10 10 11345 1 . ILE 11 11 11345 1 . SER 12 12 11345 1 . ASP 13 13 11345 1 . ILE 14 14 11345 1 . GLN 15 15 11345 1 . HIS 16 16 11345 1 . ALA 17 17 11345 1 . PRO 18 18 11345 1 . ASP 19 19 11345 1 . TYR 20 20 11345 1 . ALA 21 21 11345 1 . LEU 22 22 11345 1 . LEU 23 23 11345 1 . SER 24 24 11345 1 . ASN 25 25 11345 1 . ASP 26 26 11345 1 . GLU 27 27 11345 1 . GLN 28 28 11345 1 . GLN 29 29 11345 1 . LEU 30 30 11345 1 . CYS 31 31 11345 1 . ILE 32 32 11345 1 . GLN 33 33 11345 1 . LEU 34 34 11345 1 . LYS 35 35 11345 1 . ILE 36 36 11345 1 . LEU 37 37 11345 1 . PRO 38 38 11345 1 . LYS 39 39 11345 1 . PRO 40 40 11345 1 . TYR 41 41 11345 1 . LEU 42 42 11345 1 . VAL 43 43 11345 1 . LEU 44 44 11345 1 . LYS 45 45 11345 1 . GLU 46 46 11345 1 . VAL 47 47 11345 1 . MET 48 48 11345 1 . PHE 49 49 11345 1 . ARG 50 50 11345 1 . GLU 51 51 11345 1 . LEU 52 52 11345 1 . LEU 53 53 11345 1 . LYS 54 54 11345 1 . THR 55 55 11345 1 . GLY 56 56 11345 1 . GLY 57 57 11345 1 . ASN 58 58 11345 1 . LEU 59 59 11345 1 . SER 60 60 11345 1 . LYS 61 61 11345 1 . SER 62 62 11345 1 . ALA 63 63 11345 1 . CYS 64 64 11345 1 . ARG 65 65 11345 1 . GLU 66 66 11345 1 . LEU 67 67 11345 1 . LEU 68 68 11345 1 . ASN 69 69 11345 1 . ILE 70 70 11345 1 . ASP 71 71 11345 1 . PRO 72 72 11345 1 . ILE 73 73 11345 1 . LYS 74 74 11345 1 . ALA 75 75 11345 1 . ASN 76 76 11345 1 . ARG 77 77 11345 1 . ILE 78 78 11345 1 . TYR 79 79 11345 1 . ASP 80 80 11345 1 . PHE 81 81 11345 1 . PHE 82 82 11345 1 . GLN 83 83 11345 1 . SER 84 84 11345 1 . GLN 85 85 11345 1 . ASN 86 86 11345 1 . TRP 87 87 11345 1 . MET 88 88 11345 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 11345 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 11345 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 11345 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P060216-01 . . . . . . 11345 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11345 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.3mM sample {U-15N,13C;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; _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 SWIRM '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.3 . . mM . . . . 11345 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11345 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11345 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11345 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11345 1 6 H2O . . . . . . solvent 90 . . % . . . . 11345 1 7 D2O . . . . . . solvent 10 . . % . . . . 11345 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 11345 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 11345 1 pH 7.0 0.05 pH 11345 1 pressure 1 0.001 atm 11345 1 temperature 296 0.1 K 11345 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 11345 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11345 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11345 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11345 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11345 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11345 2 stop_ save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 11345 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B. A.' . . 11345 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11345 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11345 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9820 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11345 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11345 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11345 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11345 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11345 5 'structure solution' 11345 5 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 11345 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 11345 _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 AVANCE2 . 900 . . . 11345 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 11345 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11345 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11345 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11345 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 11345 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11345 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11345 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11345 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11345 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11345 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $TOPSPIN . . 11345 1 2 $NMRPipe . . 11345 1 3 $NMRVIEW . . 11345 1 4 $Kujira . . 11345 1 5 $CYANA . . 11345 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 7 7 GLY HA2 H 1 3.983 0.030 . 1 . . . . 7 GLY HA2 . 11345 1 2 . 1 1 7 7 GLY HA3 H 1 3.983 0.030 . 1 . . . . 7 GLY HA3 . 11345 1 3 . 1 1 7 7 GLY C C 13 173.865 0.300 . 1 . . . . 7 GLY C . 11345 1 4 . 1 1 7 7 GLY CA C 13 45.471 0.300 . 1 . . . . 7 GLY CA . 11345 1 5 . 1 1 8 8 ASN H H 1 8.280 0.030 . 1 . . . . 8 ASN H . 11345 1 6 . 1 1 8 8 ASN HA H 1 4.772 0.030 . 1 . . . . 8 ASN HA . 11345 1 7 . 1 1 8 8 ASN HB2 H 1 2.809 0.030 . 2 . . . . 8 ASN HB2 . 11345 1 8 . 1 1 8 8 ASN HB3 H 1 2.728 0.030 . 2 . . . . 8 ASN HB3 . 11345 1 9 . 1 1 8 8 ASN C C 13 174.753 0.300 . 1 . . . . 8 ASN C . 11345 1 10 . 1 1 8 8 ASN CA C 13 52.979 0.300 . 1 . . . . 8 ASN CA . 11345 1 11 . 1 1 8 8 ASN CB C 13 39.129 0.300 . 1 . . . . 8 ASN CB . 11345 1 12 . 1 1 8 8 ASN N N 15 118.749 0.300 . 1 . . . . 8 ASN N . 11345 1 13 . 1 1 9 9 MET H H 1 8.273 0.030 . 1 . . . . 9 MET H . 11345 1 14 . 1 1 9 9 MET HA H 1 4.598 0.030 . 1 . . . . 9 MET HA . 11345 1 15 . 1 1 9 9 MET HB2 H 1 2.056 0.030 . 2 . . . . 9 MET HB2 . 11345 1 16 . 1 1 9 9 MET HB3 H 1 1.997 0.030 . 2 . . . . 9 MET HB3 . 11345 1 17 . 1 1 9 9 MET HE1 H 1 2.010 0.030 . 1 . . . . 9 MET HE . 11345 1 18 . 1 1 9 9 MET HE2 H 1 2.010 0.030 . 1 . . . . 9 MET HE . 11345 1 19 . 1 1 9 9 MET HE3 H 1 2.010 0.030 . 1 . . . . 9 MET HE . 11345 1 20 . 1 1 9 9 MET HG2 H 1 2.558 0.030 . 2 . . . . 9 MET HG2 . 11345 1 21 . 1 1 9 9 MET HG3 H 1 2.475 0.030 . 2 . . . . 9 MET HG3 . 11345 1 22 . 1 1 9 9 MET C C 13 175.897 0.300 . 1 . . . . 9 MET C . 11345 1 23 . 1 1 9 9 MET CA C 13 55.784 0.300 . 1 . . . . 9 MET CA . 11345 1 24 . 1 1 9 9 MET CB C 13 33.966 0.300 . 1 . . . . 9 MET CB . 11345 1 25 . 1 1 9 9 MET CE C 13 17.281 0.300 . 1 . . . . 9 MET CE . 11345 1 26 . 1 1 9 9 MET CG C 13 31.860 0.300 . 1 . . . . 9 MET CG . 11345 1 27 . 1 1 9 9 MET N N 15 121.477 0.300 . 1 . . . . 9 MET N . 11345 1 28 . 1 1 10 10 THR H H 1 8.873 0.030 . 1 . . . . 10 THR H . 11345 1 29 . 1 1 10 10 THR HA H 1 4.566 0.030 . 1 . . . . 10 THR HA . 11345 1 30 . 1 1 10 10 THR HB H 1 4.515 0.030 . 1 . . . . 10 THR HB . 11345 1 31 . 1 1 10 10 THR HG21 H 1 1.250 0.030 . 1 . . . . 10 THR HG2 . 11345 1 32 . 1 1 10 10 THR HG22 H 1 1.250 0.030 . 1 . . . . 10 THR HG2 . 11345 1 33 . 1 1 10 10 THR HG23 H 1 1.250 0.030 . 1 . . . . 10 THR HG2 . 11345 1 34 . 1 1 10 10 THR C C 13 175.388 0.300 . 1 . . . . 10 THR C . 11345 1 35 . 1 1 10 10 THR CA C 13 60.664 0.300 . 1 . . . . 10 THR CA . 11345 1 36 . 1 1 10 10 THR CB C 13 71.764 0.300 . 1 . . . . 10 THR CB . 11345 1 37 . 1 1 10 10 THR CG2 C 13 21.650 0.300 . 1 . . . . 10 THR CG2 . 11345 1 38 . 1 1 10 10 THR N N 15 115.495 0.300 . 1 . . . . 10 THR N . 11345 1 39 . 1 1 11 11 ILE H H 1 8.485 0.030 . 1 . . . . 11 ILE H . 11345 1 40 . 1 1 11 11 ILE HA H 1 3.767 0.030 . 1 . . . . 11 ILE HA . 11345 1 41 . 1 1 11 11 ILE HB H 1 1.822 0.030 . 1 . . . . 11 ILE HB . 11345 1 42 . 1 1 11 11 ILE HD11 H 1 0.897 0.030 . 1 . . . . 11 ILE HD1 . 11345 1 43 . 1 1 11 11 ILE HD12 H 1 0.897 0.030 . 1 . . . . 11 ILE HD1 . 11345 1 44 . 1 1 11 11 ILE HD13 H 1 0.897 0.030 . 1 . . . . 11 ILE HD1 . 11345 1 45 . 1 1 11 11 ILE HG12 H 1 1.588 0.030 . 2 . . . . 11 ILE HG12 . 11345 1 46 . 1 1 11 11 ILE HG13 H 1 1.123 0.030 . 2 . . . . 11 ILE HG13 . 11345 1 47 . 1 1 11 11 ILE HG21 H 1 0.872 0.030 . 1 . . . . 11 ILE HG2 . 11345 1 48 . 1 1 11 11 ILE HG22 H 1 0.872 0.030 . 1 . . . . 11 ILE HG2 . 11345 1 49 . 1 1 11 11 ILE HG23 H 1 0.872 0.030 . 1 . . . . 11 ILE HG2 . 11345 1 50 . 1 1 11 11 ILE C C 13 177.244 0.300 . 1 . . . . 11 ILE C . 11345 1 51 . 1 1 11 11 ILE CA C 13 64.703 0.300 . 1 . . . . 11 ILE CA . 11345 1 52 . 1 1 11 11 ILE CB C 13 37.865 0.300 . 1 . . . . 11 ILE CB . 11345 1 53 . 1 1 11 11 ILE CD1 C 13 13.515 0.300 . 1 . . . . 11 ILE CD1 . 11345 1 54 . 1 1 11 11 ILE CG1 C 13 28.956 0.300 . 1 . . . . 11 ILE CG1 . 11345 1 55 . 1 1 11 11 ILE CG2 C 13 17.051 0.300 . 1 . . . . 11 ILE CG2 . 11345 1 56 . 1 1 11 11 ILE N N 15 120.246 0.300 . 1 . . . . 11 ILE N . 11345 1 57 . 1 1 12 12 SER H H 1 7.972 0.030 . 1 . . . . 12 SER H . 11345 1 58 . 1 1 12 12 SER HA H 1 4.173 0.030 . 1 . . . . 12 SER HA . 11345 1 59 . 1 1 12 12 SER HB2 H 1 3.806 0.030 . 2 . . . . 12 SER HB2 . 11345 1 60 . 1 1 12 12 SER HB3 H 1 3.760 0.030 . 2 . . . . 12 SER HB3 . 11345 1 61 . 1 1 12 12 SER C C 13 176.251 0.300 . 1 . . . . 12 SER C . 11345 1 62 . 1 1 12 12 SER CA C 13 60.823 0.300 . 1 . . . . 12 SER CA . 11345 1 63 . 1 1 12 12 SER CB C 13 62.901 0.300 . 1 . . . . 12 SER CB . 11345 1 64 . 1 1 12 12 SER N N 15 115.236 0.300 . 1 . . . . 12 SER N . 11345 1 65 . 1 1 13 13 ASP H H 1 7.770 0.030 . 1 . . . . 13 ASP H . 11345 1 66 . 1 1 13 13 ASP HA H 1 4.358 0.030 . 1 . . . . 13 ASP HA . 11345 1 67 . 1 1 13 13 ASP HB2 H 1 2.940 0.030 . 2 . . . . 13 ASP HB2 . 11345 1 68 . 1 1 13 13 ASP HB3 H 1 2.647 0.030 . 2 . . . . 13 ASP HB3 . 11345 1 69 . 1 1 13 13 ASP C C 13 177.894 0.300 . 1 . . . . 13 ASP C . 11345 1 70 . 1 1 13 13 ASP CA C 13 56.875 0.300 . 1 . . . . 13 ASP CA . 11345 1 71 . 1 1 13 13 ASP CB C 13 41.188 0.300 . 1 . . . . 13 ASP CB . 11345 1 72 . 1 1 13 13 ASP N N 15 120.961 0.300 . 1 . . . . 13 ASP N . 11345 1 73 . 1 1 14 14 ILE H H 1 7.467 0.030 . 1 . . . . 14 ILE H . 11345 1 74 . 1 1 14 14 ILE HA H 1 3.662 0.030 . 1 . . . . 14 ILE HA . 11345 1 75 . 1 1 14 14 ILE HB H 1 1.889 0.030 . 1 . . . . 14 ILE HB . 11345 1 76 . 1 1 14 14 ILE HD11 H 1 0.748 0.030 . 1 . . . . 14 ILE HD1 . 11345 1 77 . 1 1 14 14 ILE HD12 H 1 0.748 0.030 . 1 . . . . 14 ILE HD1 . 11345 1 78 . 1 1 14 14 ILE HD13 H 1 0.748 0.030 . 1 . . . . 14 ILE HD1 . 11345 1 79 . 1 1 14 14 ILE HG12 H 1 1.587 0.030 . 2 . . . . 14 ILE HG12 . 11345 1 80 . 1 1 14 14 ILE HG13 H 1 1.139 0.030 . 2 . . . . 14 ILE HG13 . 11345 1 81 . 1 1 14 14 ILE HG21 H 1 0.918 0.030 . 1 . . . . 14 ILE HG2 . 11345 1 82 . 1 1 14 14 ILE HG22 H 1 0.918 0.030 . 1 . . . . 14 ILE HG2 . 11345 1 83 . 1 1 14 14 ILE HG23 H 1 0.918 0.030 . 1 . . . . 14 ILE HG2 . 11345 1 84 . 1 1 14 14 ILE C C 13 176.464 0.300 . 1 . . . . 14 ILE C . 11345 1 85 . 1 1 14 14 ILE CA C 13 64.633 0.300 . 1 . . . . 14 ILE CA . 11345 1 86 . 1 1 14 14 ILE CB C 13 38.453 0.300 . 1 . . . . 14 ILE CB . 11345 1 87 . 1 1 14 14 ILE CD1 C 13 14.190 0.300 . 1 . . . . 14 ILE CD1 . 11345 1 88 . 1 1 14 14 ILE CG1 C 13 29.210 0.300 . 1 . . . . 14 ILE CG1 . 11345 1 89 . 1 1 14 14 ILE CG2 C 13 17.421 0.300 . 1 . . . . 14 ILE CG2 . 11345 1 90 . 1 1 14 14 ILE N N 15 118.873 0.300 . 1 . . . . 14 ILE N . 11345 1 91 . 1 1 15 15 GLN H H 1 7.781 0.030 . 1 . . . . 15 GLN H . 11345 1 92 . 1 1 15 15 GLN HA H 1 2.216 0.030 . 1 . . . . 15 GLN HA . 11345 1 93 . 1 1 15 15 GLN HB2 H 1 1.630 0.030 . 2 . . . . 15 GLN HB2 . 11345 1 94 . 1 1 15 15 GLN HB3 H 1 1.332 0.030 . 2 . . . . 15 GLN HB3 . 11345 1 95 . 1 1 15 15 GLN HE21 H 1 6.796 0.030 . 1 . . . . 15 GLN HE21 . 11345 1 96 . 1 1 15 15 GLN HE22 H 1 6.796 0.030 . 1 . . . . 15 GLN HE22 . 11345 1 97 . 1 1 15 15 GLN HG2 H 1 2.116 0.030 . 2 . . . . 15 GLN HG2 . 11345 1 98 . 1 1 15 15 GLN HG3 H 1 1.829 0.030 . 2 . . . . 15 GLN HG3 . 11345 1 99 . 1 1 15 15 GLN C C 13 177.135 0.300 . 1 . . . . 15 GLN C . 11345 1 100 . 1 1 15 15 GLN CA C 13 56.906 0.300 . 1 . . . . 15 GLN CA . 11345 1 101 . 1 1 15 15 GLN CB C 13 28.141 0.300 . 1 . . . . 15 GLN CB . 11345 1 102 . 1 1 15 15 GLN CG C 13 34.130 0.300 . 1 . . . . 15 GLN CG . 11345 1 103 . 1 1 15 15 GLN N N 15 114.547 0.300 . 1 . . . . 15 GLN N . 11345 1 104 . 1 1 15 15 GLN NE2 N 15 110.582 0.300 . 1 . . . . 15 GLN NE2 . 11345 1 105 . 1 1 16 16 HIS H H 1 7.533 0.030 . 1 . . . . 16 HIS H . 11345 1 106 . 1 1 16 16 HIS HA H 1 4.596 0.030 . 1 . . . . 16 HIS HA . 11345 1 107 . 1 1 16 16 HIS HB2 H 1 3.418 0.030 . 2 . . . . 16 HIS HB2 . 11345 1 108 . 1 1 16 16 HIS HB3 H 1 2.954 0.030 . 2 . . . . 16 HIS HB3 . 11345 1 109 . 1 1 16 16 HIS HD2 H 1 7.105 0.030 . 1 . . . . 16 HIS HD2 . 11345 1 110 . 1 1 16 16 HIS HE1 H 1 8.085 0.030 . 1 . . . . 16 HIS HE1 . 11345 1 111 . 1 1 16 16 HIS C C 13 174.200 0.300 . 1 . . . . 16 HIS C . 11345 1 112 . 1 1 16 16 HIS CA C 13 55.588 0.300 . 1 . . . . 16 HIS CA . 11345 1 113 . 1 1 16 16 HIS CB C 13 29.434 0.300 . 1 . . . . 16 HIS CB . 11345 1 114 . 1 1 16 16 HIS CD2 C 13 120.352 0.300 . 1 . . . . 16 HIS CD2 . 11345 1 115 . 1 1 16 16 HIS CE1 C 13 137.015 0.300 . 1 . . . . 16 HIS CE1 . 11345 1 116 . 1 1 16 16 HIS N N 15 114.181 0.300 . 1 . . . . 16 HIS N . 11345 1 117 . 1 1 17 17 ALA H H 1 7.462 0.030 . 1 . . . . 17 ALA H . 11345 1 118 . 1 1 17 17 ALA HA H 1 4.667 0.030 . 1 . . . . 17 ALA HA . 11345 1 119 . 1 1 17 17 ALA HB1 H 1 1.728 0.030 . 1 . . . . 17 ALA HB . 11345 1 120 . 1 1 17 17 ALA HB2 H 1 1.728 0.030 . 1 . . . . 17 ALA HB . 11345 1 121 . 1 1 17 17 ALA HB3 H 1 1.728 0.030 . 1 . . . . 17 ALA HB . 11345 1 122 . 1 1 17 17 ALA CA C 13 50.919 0.300 . 1 . . . . 17 ALA CA . 11345 1 123 . 1 1 17 17 ALA CB C 13 18.675 0.300 . 1 . . . . 17 ALA CB . 11345 1 124 . 1 1 17 17 ALA N N 15 125.854 0.300 . 1 . . . . 17 ALA N . 11345 1 125 . 1 1 18 18 PRO HA H 1 4.409 0.030 . 1 . . . . 18 PRO HA . 11345 1 126 . 1 1 18 18 PRO HB2 H 1 2.423 0.030 . 2 . . . . 18 PRO HB2 . 11345 1 127 . 1 1 18 18 PRO HB3 H 1 1.795 0.030 . 2 . . . . 18 PRO HB3 . 11345 1 128 . 1 1 18 18 PRO HD2 H 1 4.010 0.030 . 2 . . . . 18 PRO HD2 . 11345 1 129 . 1 1 18 18 PRO HD3 H 1 3.735 0.030 . 2 . . . . 18 PRO HD3 . 11345 1 130 . 1 1 18 18 PRO HG2 H 1 2.169 0.030 . 2 . . . . 18 PRO HG2 . 11345 1 131 . 1 1 18 18 PRO HG3 H 1 2.135 0.030 . 2 . . . . 18 PRO HG3 . 11345 1 132 . 1 1 18 18 PRO C C 13 176.824 0.300 . 1 . . . . 18 PRO C . 11345 1 133 . 1 1 18 18 PRO CA C 13 64.440 0.300 . 1 . . . . 18 PRO CA . 11345 1 134 . 1 1 18 18 PRO CB C 13 32.199 0.300 . 1 . . . . 18 PRO CB . 11345 1 135 . 1 1 18 18 PRO CD C 13 50.654 0.300 . 1 . . . . 18 PRO CD . 11345 1 136 . 1 1 18 18 PRO CG C 13 27.917 0.300 . 1 . . . . 18 PRO CG . 11345 1 137 . 1 1 19 19 ASP H H 1 8.526 0.030 . 1 . . . . 19 ASP H . 11345 1 138 . 1 1 19 19 ASP HA H 1 4.295 0.030 . 1 . . . . 19 ASP HA . 11345 1 139 . 1 1 19 19 ASP HB2 H 1 2.842 0.030 . 1 . . . . 19 ASP HB2 . 11345 1 140 . 1 1 19 19 ASP HB3 H 1 2.842 0.030 . 1 . . . . 19 ASP HB3 . 11345 1 141 . 1 1 19 19 ASP C C 13 176.551 0.300 . 1 . . . . 19 ASP C . 11345 1 142 . 1 1 19 19 ASP CA C 13 57.008 0.300 . 1 . . . . 19 ASP CA . 11345 1 143 . 1 1 19 19 ASP CB C 13 38.923 0.300 . 1 . . . . 19 ASP CB . 11345 1 144 . 1 1 19 19 ASP N N 15 114.697 0.300 . 1 . . . . 19 ASP N . 11345 1 145 . 1 1 20 20 TYR H H 1 7.880 0.030 . 1 . . . . 20 TYR H . 11345 1 146 . 1 1 20 20 TYR HA H 1 3.913 0.030 . 1 . . . . 20 TYR HA . 11345 1 147 . 1 1 20 20 TYR HB2 H 1 3.473 0.030 . 2 . . . . 20 TYR HB2 . 11345 1 148 . 1 1 20 20 TYR HB3 H 1 2.951 0.030 . 2 . . . . 20 TYR HB3 . 11345 1 149 . 1 1 20 20 TYR HD1 H 1 6.945 0.030 . 1 . . . . 20 TYR HD1 . 11345 1 150 . 1 1 20 20 TYR HD2 H 1 6.945 0.030 . 1 . . . . 20 TYR HD2 . 11345 1 151 . 1 1 20 20 TYR HE1 H 1 6.599 0.030 . 1 . . . . 20 TYR HE1 . 11345 1 152 . 1 1 20 20 TYR HE2 H 1 6.599 0.030 . 1 . . . . 20 TYR HE2 . 11345 1 153 . 1 1 20 20 TYR C C 13 177.598 0.300 . 1 . . . . 20 TYR C . 11345 1 154 . 1 1 20 20 TYR CA C 13 62.824 0.300 . 1 . . . . 20 TYR CA . 11345 1 155 . 1 1 20 20 TYR CB C 13 38.976 0.300 . 1 . . . . 20 TYR CB . 11345 1 156 . 1 1 20 20 TYR CD1 C 13 134.178 0.300 . 1 . . . . 20 TYR CD1 . 11345 1 157 . 1 1 20 20 TYR CD2 C 13 134.178 0.300 . 1 . . . . 20 TYR CD2 . 11345 1 158 . 1 1 20 20 TYR CE1 C 13 117.694 0.300 . 1 . . . . 20 TYR CE1 . 11345 1 159 . 1 1 20 20 TYR CE2 C 13 117.694 0.300 . 1 . . . . 20 TYR CE2 . 11345 1 160 . 1 1 20 20 TYR N N 15 121.150 0.300 . 1 . . . . 20 TYR N . 11345 1 161 . 1 1 21 21 ALA H H 1 8.463 0.030 . 1 . . . . 21 ALA H . 11345 1 162 . 1 1 21 21 ALA HA H 1 4.057 0.030 . 1 . . . . 21 ALA HA . 11345 1 163 . 1 1 21 21 ALA HB1 H 1 1.501 0.030 . 1 . . . . 21 ALA HB . 11345 1 164 . 1 1 21 21 ALA HB2 H 1 1.501 0.030 . 1 . . . . 21 ALA HB . 11345 1 165 . 1 1 21 21 ALA HB3 H 1 1.501 0.030 . 1 . . . . 21 ALA HB . 11345 1 166 . 1 1 21 21 ALA C C 13 178.180 0.300 . 1 . . . . 21 ALA C . 11345 1 167 . 1 1 21 21 ALA CA C 13 53.402 0.300 . 1 . . . . 21 ALA CA . 11345 1 168 . 1 1 21 21 ALA CB C 13 18.655 0.300 . 1 . . . . 21 ALA CB . 11345 1 169 . 1 1 22 22 LEU H H 1 7.533 0.030 . 1 . . . . 22 LEU H . 11345 1 170 . 1 1 22 22 LEU HA H 1 4.248 0.030 . 1 . . . . 22 LEU HA . 11345 1 171 . 1 1 22 22 LEU HB2 H 1 1.890 0.030 . 2 . . . . 22 LEU HB2 . 11345 1 172 . 1 1 22 22 LEU HB3 H 1 1.656 0.030 . 2 . . . . 22 LEU HB3 . 11345 1 173 . 1 1 22 22 LEU HD11 H 1 0.884 0.030 . 1 . . . . 22 LEU HD1 . 11345 1 174 . 1 1 22 22 LEU HD12 H 1 0.884 0.030 . 1 . . . . 22 LEU HD1 . 11345 1 175 . 1 1 22 22 LEU HD13 H 1 0.884 0.030 . 1 . . . . 22 LEU HD1 . 11345 1 176 . 1 1 22 22 LEU HD21 H 1 0.821 0.030 . 1 . . . . 22 LEU HD2 . 11345 1 177 . 1 1 22 22 LEU HD22 H 1 0.821 0.030 . 1 . . . . 22 LEU HD2 . 11345 1 178 . 1 1 22 22 LEU HD23 H 1 0.821 0.030 . 1 . . . . 22 LEU HD2 . 11345 1 179 . 1 1 22 22 LEU HG H 1 1.607 0.030 . 1 . . . . 22 LEU HG . 11345 1 180 . 1 1 22 22 LEU C C 13 177.335 0.300 . 1 . . . . 22 LEU C . 11345 1 181 . 1 1 22 22 LEU CA C 13 55.182 0.300 . 1 . . . . 22 LEU CA . 11345 1 182 . 1 1 22 22 LEU CB C 13 41.600 0.300 . 1 . . . . 22 LEU CB . 11345 1 183 . 1 1 22 22 LEU CD1 C 13 25.246 0.300 . 2 . . . . 22 LEU CD1 . 11345 1 184 . 1 1 22 22 LEU CD2 C 13 22.662 0.300 . 2 . . . . 22 LEU CD2 . 11345 1 185 . 1 1 22 22 LEU CG C 13 27.368 0.300 . 1 . . . . 22 LEU CG . 11345 1 186 . 1 1 22 22 LEU N N 15 116.370 0.300 . 1 . . . . 22 LEU N . 11345 1 187 . 1 1 23 23 LEU H H 1 7.209 0.030 . 1 . . . . 23 LEU H . 11345 1 188 . 1 1 23 23 LEU HA H 1 4.438 0.030 . 1 . . . . 23 LEU HA . 11345 1 189 . 1 1 23 23 LEU HB2 H 1 1.853 0.030 . 2 . . . . 23 LEU HB2 . 11345 1 190 . 1 1 23 23 LEU HB3 H 1 1.576 0.030 . 2 . . . . 23 LEU HB3 . 11345 1 191 . 1 1 23 23 LEU HD11 H 1 0.844 0.030 . 1 . . . . 23 LEU HD1 . 11345 1 192 . 1 1 23 23 LEU HD12 H 1 0.844 0.030 . 1 . . . . 23 LEU HD1 . 11345 1 193 . 1 1 23 23 LEU HD13 H 1 0.844 0.030 . 1 . . . . 23 LEU HD1 . 11345 1 194 . 1 1 23 23 LEU HD21 H 1 0.913 0.030 . 1 . . . . 23 LEU HD2 . 11345 1 195 . 1 1 23 23 LEU HD22 H 1 0.913 0.030 . 1 . . . . 23 LEU HD2 . 11345 1 196 . 1 1 23 23 LEU HD23 H 1 0.913 0.030 . 1 . . . . 23 LEU HD2 . 11345 1 197 . 1 1 23 23 LEU HG H 1 1.975 0.030 . 1 . . . . 23 LEU HG . 11345 1 198 . 1 1 23 23 LEU C C 13 177.059 0.300 . 1 . . . . 23 LEU C . 11345 1 199 . 1 1 23 23 LEU CA C 13 53.861 0.300 . 1 . . . . 23 LEU CA . 11345 1 200 . 1 1 23 23 LEU CB C 13 43.001 0.300 . 1 . . . . 23 LEU CB . 11345 1 201 . 1 1 23 23 LEU CD1 C 13 26.775 0.300 . 2 . . . . 23 LEU CD1 . 11345 1 202 . 1 1 23 23 LEU CD2 C 13 23.308 0.300 . 2 . . . . 23 LEU CD2 . 11345 1 203 . 1 1 23 23 LEU CG C 13 27.182 0.300 . 1 . . . . 23 LEU CG . 11345 1 204 . 1 1 23 23 LEU N N 15 119.962 0.300 . 1 . . . . 23 LEU N . 11345 1 205 . 1 1 24 24 SER H H 1 9.419 0.030 . 1 . . . . 24 SER H . 11345 1 206 . 1 1 24 24 SER HA H 1 4.524 0.030 . 1 . . . . 24 SER HA . 11345 1 207 . 1 1 24 24 SER HB2 H 1 4.476 0.030 . 2 . . . . 24 SER HB2 . 11345 1 208 . 1 1 24 24 SER HB3 H 1 4.159 0.030 . 2 . . . . 24 SER HB3 . 11345 1 209 . 1 1 24 24 SER C C 13 175.150 0.300 . 1 . . . . 24 SER C . 11345 1 210 . 1 1 24 24 SER CA C 13 57.438 0.300 . 1 . . . . 24 SER CA . 11345 1 211 . 1 1 24 24 SER CB C 13 65.313 0.300 . 1 . . . . 24 SER CB . 11345 1 212 . 1 1 24 24 SER N N 15 117.850 0.300 . 1 . . . . 24 SER N . 11345 1 213 . 1 1 25 25 ASN H H 1 9.167 0.030 . 1 . . . . 25 ASN H . 11345 1 214 . 1 1 25 25 ASN HA H 1 4.315 0.030 . 1 . . . . 25 ASN HA . 11345 1 215 . 1 1 25 25 ASN HB2 H 1 2.839 0.030 . 1 . . . . 25 ASN HB2 . 11345 1 216 . 1 1 25 25 ASN HB3 H 1 2.839 0.030 . 1 . . . . 25 ASN HB3 . 11345 1 217 . 1 1 25 25 ASN HD21 H 1 7.650 0.030 . 2 . . . . 25 ASN HD21 . 11345 1 218 . 1 1 25 25 ASN HD22 H 1 6.972 0.030 . 2 . . . . 25 ASN HD22 . 11345 1 219 . 1 1 25 25 ASN C C 13 177.770 0.300 . 1 . . . . 25 ASN C . 11345 1 220 . 1 1 25 25 ASN CA C 13 57.249 0.300 . 1 . . . . 25 ASN CA . 11345 1 221 . 1 1 25 25 ASN CB C 13 38.387 0.300 . 1 . . . . 25 ASN CB . 11345 1 222 . 1 1 25 25 ASN N N 15 120.736 0.300 . 1 . . . . 25 ASN N . 11345 1 223 . 1 1 25 25 ASN ND2 N 15 112.914 0.300 . 1 . . . . 25 ASN ND2 . 11345 1 224 . 1 1 26 26 ASP H H 1 8.457 0.030 . 1 . . . . 26 ASP H . 11345 1 225 . 1 1 26 26 ASP HA H 1 4.420 0.030 . 1 . . . . 26 ASP HA . 11345 1 226 . 1 1 26 26 ASP HB2 H 1 2.733 0.030 . 2 . . . . 26 ASP HB2 . 11345 1 227 . 1 1 26 26 ASP HB3 H 1 2.555 0.030 . 2 . . . . 26 ASP HB3 . 11345 1 228 . 1 1 26 26 ASP C C 13 179.422 0.300 . 1 . . . . 26 ASP C . 11345 1 229 . 1 1 26 26 ASP CA C 13 57.494 0.300 . 1 . . . . 26 ASP CA . 11345 1 230 . 1 1 26 26 ASP CB C 13 40.158 0.300 . 1 . . . . 26 ASP CB . 11345 1 231 . 1 1 26 26 ASP N N 15 117.363 0.300 . 1 . . . . 26 ASP N . 11345 1 232 . 1 1 27 27 GLU H H 1 7.947 0.030 . 1 . . . . 27 GLU H . 11345 1 233 . 1 1 27 27 GLU HA H 1 3.523 0.030 . 1 . . . . 27 GLU HA . 11345 1 234 . 1 1 27 27 GLU HB2 H 1 2.500 0.030 . 2 . . . . 27 GLU HB2 . 11345 1 235 . 1 1 27 27 GLU HB3 H 1 1.748 0.030 . 2 . . . . 27 GLU HB3 . 11345 1 236 . 1 1 27 27 GLU HG2 H 1 2.788 0.030 . 2 . . . . 27 GLU HG2 . 11345 1 237 . 1 1 27 27 GLU HG3 H 1 2.488 0.030 . 2 . . . . 27 GLU HG3 . 11345 1 238 . 1 1 27 27 GLU C C 13 178.016 0.300 . 1 . . . . 27 GLU C . 11345 1 239 . 1 1 27 27 GLU CA C 13 59.066 0.300 . 1 . . . . 27 GLU CA . 11345 1 240 . 1 1 27 27 GLU CB C 13 31.657 0.300 . 1 . . . . 27 GLU CB . 11345 1 241 . 1 1 27 27 GLU CG C 13 38.428 0.300 . 1 . . . . 27 GLU CG . 11345 1 242 . 1 1 27 27 GLU N N 15 121.102 0.300 . 1 . . . . 27 GLU N . 11345 1 243 . 1 1 28 28 GLN H H 1 8.657 0.030 . 1 . . . . 28 GLN H . 11345 1 244 . 1 1 28 28 GLN HA H 1 3.539 0.030 . 1 . . . . 28 GLN HA . 11345 1 245 . 1 1 28 28 GLN HB2 H 1 2.404 0.030 . 2 . . . . 28 GLN HB2 . 11345 1 246 . 1 1 28 28 GLN HB3 H 1 2.000 0.030 . 2 . . . . 28 GLN HB3 . 11345 1 247 . 1 1 28 28 GLN HE21 H 1 6.444 0.030 . 2 . . . . 28 GLN HE21 . 11345 1 248 . 1 1 28 28 GLN HE22 H 1 6.335 0.030 . 2 . . . . 28 GLN HE22 . 11345 1 249 . 1 1 28 28 GLN HG2 H 1 2.411 0.030 . 2 . . . . 28 GLN HG2 . 11345 1 250 . 1 1 28 28 GLN HG3 H 1 1.378 0.030 . 2 . . . . 28 GLN HG3 . 11345 1 251 . 1 1 28 28 GLN C C 13 178.055 0.300 . 1 . . . . 28 GLN C . 11345 1 252 . 1 1 28 28 GLN CA C 13 59.836 0.300 . 1 . . . . 28 GLN CA . 11345 1 253 . 1 1 28 28 GLN CB C 13 27.083 0.300 . 1 . . . . 28 GLN CB . 11345 1 254 . 1 1 28 28 GLN CG C 13 34.445 0.300 . 1 . . . . 28 GLN CG . 11345 1 255 . 1 1 28 28 GLN N N 15 120.600 0.300 . 1 . . . . 28 GLN N . 11345 1 256 . 1 1 28 28 GLN NE2 N 15 110.111 0.300 . 1 . . . . 28 GLN NE2 . 11345 1 257 . 1 1 29 29 GLN H H 1 7.491 0.030 . 1 . . . . 29 GLN H . 11345 1 258 . 1 1 29 29 GLN HA H 1 3.921 0.030 . 1 . . . . 29 GLN HA . 11345 1 259 . 1 1 29 29 GLN HB2 H 1 2.140 0.030 . 2 . . . . 29 GLN HB2 . 11345 1 260 . 1 1 29 29 GLN HB3 H 1 2.065 0.030 . 2 . . . . 29 GLN HB3 . 11345 1 261 . 1 1 29 29 GLN HE21 H 1 7.603 0.030 . 2 . . . . 29 GLN HE21 . 11345 1 262 . 1 1 29 29 GLN HE22 H 1 6.836 0.030 . 2 . . . . 29 GLN HE22 . 11345 1 263 . 1 1 29 29 GLN HG2 H 1 2.502 0.030 . 1 . . . . 29 GLN HG2 . 11345 1 264 . 1 1 29 29 GLN HG3 H 1 2.502 0.030 . 1 . . . . 29 GLN HG3 . 11345 1 265 . 1 1 29 29 GLN C C 13 178.149 0.300 . 1 . . . . 29 GLN C . 11345 1 266 . 1 1 29 29 GLN CA C 13 58.179 0.300 . 1 . . . . 29 GLN CA . 11345 1 267 . 1 1 29 29 GLN CB C 13 28.163 0.300 . 1 . . . . 29 GLN CB . 11345 1 268 . 1 1 29 29 GLN CG C 13 33.843 0.300 . 1 . . . . 29 GLN CG . 11345 1 269 . 1 1 29 29 GLN N N 15 114.244 0.300 . 1 . . . . 29 GLN N . 11345 1 270 . 1 1 29 29 GLN NE2 N 15 113.692 0.300 . 1 . . . . 29 GLN NE2 . 11345 1 271 . 1 1 30 30 LEU H H 1 7.490 0.030 . 1 . . . . 30 LEU H . 11345 1 272 . 1 1 30 30 LEU HA H 1 3.854 0.030 . 1 . . . . 30 LEU HA . 11345 1 273 . 1 1 30 30 LEU HB2 H 1 1.412 0.030 . 2 . . . . 30 LEU HB2 . 11345 1 274 . 1 1 30 30 LEU HB3 H 1 0.783 0.030 . 2 . . . . 30 LEU HB3 . 11345 1 275 . 1 1 30 30 LEU HD11 H 1 0.533 0.030 . 1 . . . . 30 LEU HD1 . 11345 1 276 . 1 1 30 30 LEU HD12 H 1 0.533 0.030 . 1 . . . . 30 LEU HD1 . 11345 1 277 . 1 1 30 30 LEU HD13 H 1 0.533 0.030 . 1 . . . . 30 LEU HD1 . 11345 1 278 . 1 1 30 30 LEU HD21 H 1 -0.008 0.030 . 1 . . . . 30 LEU HD2 . 11345 1 279 . 1 1 30 30 LEU HD22 H 1 -0.008 0.030 . 1 . . . . 30 LEU HD2 . 11345 1 280 . 1 1 30 30 LEU HD23 H 1 -0.008 0.030 . 1 . . . . 30 LEU HD2 . 11345 1 281 . 1 1 30 30 LEU HG H 1 1.029 0.030 . 1 . . . . 30 LEU HG . 11345 1 282 . 1 1 30 30 LEU C C 13 178.424 0.300 . 1 . . . . 30 LEU C . 11345 1 283 . 1 1 30 30 LEU CA C 13 58.209 0.300 . 1 . . . . 30 LEU CA . 11345 1 284 . 1 1 30 30 LEU CB C 13 41.173 0.300 . 1 . . . . 30 LEU CB . 11345 1 285 . 1 1 30 30 LEU CD1 C 13 23.186 0.300 . 2 . . . . 30 LEU CD1 . 11345 1 286 . 1 1 30 30 LEU CD2 C 13 25.320 0.300 . 2 . . . . 30 LEU CD2 . 11345 1 287 . 1 1 30 30 LEU CG C 13 25.855 0.300 . 1 . . . . 30 LEU CG . 11345 1 288 . 1 1 30 30 LEU N N 15 122.105 0.300 . 1 . . . . 30 LEU N . 11345 1 289 . 1 1 31 31 CYS H H 1 7.996 0.030 . 1 . . . . 31 CYS H . 11345 1 290 . 1 1 31 31 CYS HA H 1 3.773 0.030 . 1 . . . . 31 CYS HA . 11345 1 291 . 1 1 31 31 CYS HB2 H 1 3.406 0.030 . 2 . . . . 31 CYS HB2 . 11345 1 292 . 1 1 31 31 CYS HB3 H 1 2.772 0.030 . 2 . . . . 31 CYS HB3 . 11345 1 293 . 1 1 31 31 CYS C C 13 177.645 0.300 . 1 . . . . 31 CYS C . 11345 1 294 . 1 1 31 31 CYS CA C 13 66.185 0.300 . 1 . . . . 31 CYS CA . 11345 1 295 . 1 1 31 31 CYS CB C 13 25.865 0.300 . 1 . . . . 31 CYS CB . 11345 1 296 . 1 1 31 31 CYS N N 15 116.972 0.300 . 1 . . . . 31 CYS N . 11345 1 297 . 1 1 32 32 ILE H H 1 7.800 0.030 . 1 . . . . 32 ILE H . 11345 1 298 . 1 1 32 32 ILE HA H 1 3.665 0.030 . 1 . . . . 32 ILE HA . 11345 1 299 . 1 1 32 32 ILE HB H 1 1.912 0.030 . 1 . . . . 32 ILE HB . 11345 1 300 . 1 1 32 32 ILE HD11 H 1 0.897 0.030 . 1 . . . . 32 ILE HD1 . 11345 1 301 . 1 1 32 32 ILE HD12 H 1 0.897 0.030 . 1 . . . . 32 ILE HD1 . 11345 1 302 . 1 1 32 32 ILE HD13 H 1 0.897 0.030 . 1 . . . . 32 ILE HD1 . 11345 1 303 . 1 1 32 32 ILE HG12 H 1 1.908 0.030 . 2 . . . . 32 ILE HG12 . 11345 1 304 . 1 1 32 32 ILE HG13 H 1 1.017 0.030 . 2 . . . . 32 ILE HG13 . 11345 1 305 . 1 1 32 32 ILE HG21 H 1 0.896 0.030 . 1 . . . . 32 ILE HG2 . 11345 1 306 . 1 1 32 32 ILE HG22 H 1 0.896 0.030 . 1 . . . . 32 ILE HG2 . 11345 1 307 . 1 1 32 32 ILE HG23 H 1 0.896 0.030 . 1 . . . . 32 ILE HG2 . 11345 1 308 . 1 1 32 32 ILE C C 13 178.436 0.300 . 1 . . . . 32 ILE C . 11345 1 309 . 1 1 32 32 ILE CA C 13 65.370 0.300 . 1 . . . . 32 ILE CA . 11345 1 310 . 1 1 32 32 ILE CB C 13 38.368 0.300 . 1 . . . . 32 ILE CB . 11345 1 311 . 1 1 32 32 ILE CD1 C 13 13.688 0.300 . 1 . . . . 32 ILE CD1 . 11345 1 312 . 1 1 32 32 ILE CG1 C 13 29.814 0.300 . 1 . . . . 32 ILE CG1 . 11345 1 313 . 1 1 32 32 ILE CG2 C 13 17.294 0.300 . 1 . . . . 32 ILE CG2 . 11345 1 314 . 1 1 32 32 ILE N N 15 117.861 0.300 . 1 . . . . 32 ILE N . 11345 1 315 . 1 1 33 33 GLN H H 1 8.186 0.030 . 1 . . . . 33 GLN H . 11345 1 316 . 1 1 33 33 GLN HA H 1 3.982 0.030 . 1 . . . . 33 GLN HA . 11345 1 317 . 1 1 33 33 GLN HB2 H 1 2.178 0.030 . 2 . . . . 33 GLN HB2 . 11345 1 318 . 1 1 33 33 GLN HB3 H 1 2.101 0.030 . 2 . . . . 33 GLN HB3 . 11345 1 319 . 1 1 33 33 GLN HE21 H 1 7.392 0.030 . 2 . . . . 33 GLN HE21 . 11345 1 320 . 1 1 33 33 GLN HE22 H 1 6.806 0.030 . 2 . . . . 33 GLN HE22 . 11345 1 321 . 1 1 33 33 GLN HG2 H 1 2.552 0.030 . 2 . . . . 33 GLN HG2 . 11345 1 322 . 1 1 33 33 GLN HG3 H 1 2.360 0.030 . 2 . . . . 33 GLN HG3 . 11345 1 323 . 1 1 33 33 GLN C C 13 178.843 0.300 . 1 . . . . 33 GLN C . 11345 1 324 . 1 1 33 33 GLN CA C 13 58.919 0.300 . 1 . . . . 33 GLN CA . 11345 1 325 . 1 1 33 33 GLN CB C 13 28.494 0.300 . 1 . . . . 33 GLN CB . 11345 1 326 . 1 1 33 33 GLN CG C 13 33.943 0.300 . 1 . . . . 33 GLN CG . 11345 1 327 . 1 1 33 33 GLN N N 15 119.944 0.300 . 1 . . . . 33 GLN N . 11345 1 328 . 1 1 33 33 GLN NE2 N 15 110.755 0.300 . 1 . . . . 33 GLN NE2 . 11345 1 329 . 1 1 34 34 LEU H H 1 8.518 0.030 . 1 . . . . 34 LEU H . 11345 1 330 . 1 1 34 34 LEU HA H 1 4.179 0.030 . 1 . . . . 34 LEU HA . 11345 1 331 . 1 1 34 34 LEU HB2 H 1 1.711 0.030 . 2 . . . . 34 LEU HB2 . 11345 1 332 . 1 1 34 34 LEU HB3 H 1 1.397 0.030 . 2 . . . . 34 LEU HB3 . 11345 1 333 . 1 1 34 34 LEU HD11 H 1 0.771 0.030 . 1 . . . . 34 LEU HD1 . 11345 1 334 . 1 1 34 34 LEU HD12 H 1 0.771 0.030 . 1 . . . . 34 LEU HD1 . 11345 1 335 . 1 1 34 34 LEU HD13 H 1 0.771 0.030 . 1 . . . . 34 LEU HD1 . 11345 1 336 . 1 1 34 34 LEU HD21 H 1 0.816 0.030 . 1 . . . . 34 LEU HD2 . 11345 1 337 . 1 1 34 34 LEU HD22 H 1 0.816 0.030 . 1 . . . . 34 LEU HD2 . 11345 1 338 . 1 1 34 34 LEU HD23 H 1 0.816 0.030 . 1 . . . . 34 LEU HD2 . 11345 1 339 . 1 1 34 34 LEU HG H 1 1.852 0.030 . 1 . . . . 34 LEU HG . 11345 1 340 . 1 1 34 34 LEU C C 13 175.547 0.300 . 1 . . . . 34 LEU C . 11345 1 341 . 1 1 34 34 LEU CA C 13 54.971 0.300 . 1 . . . . 34 LEU CA . 11345 1 342 . 1 1 34 34 LEU CB C 13 43.001 0.300 . 1 . . . . 34 LEU CB . 11345 1 343 . 1 1 34 34 LEU CD1 C 13 26.150 0.300 . 2 . . . . 34 LEU CD1 . 11345 1 344 . 1 1 34 34 LEU CD2 C 13 22.839 0.300 . 2 . . . . 34 LEU CD2 . 11345 1 345 . 1 1 34 34 LEU CG C 13 26.604 0.300 . 1 . . . . 34 LEU CG . 11345 1 346 . 1 1 34 34 LEU N N 15 115.803 0.300 . 1 . . . . 34 LEU N . 11345 1 347 . 1 1 35 35 LYS H H 1 7.933 0.030 . 1 . . . . 35 LYS H . 11345 1 348 . 1 1 35 35 LYS HA H 1 3.690 0.030 . 1 . . . . 35 LYS HA . 11345 1 349 . 1 1 35 35 LYS HB2 H 1 2.180 0.030 . 2 . . . . 35 LYS HB2 . 11345 1 350 . 1 1 35 35 LYS HB3 H 1 1.773 0.030 . 2 . . . . 35 LYS HB3 . 11345 1 351 . 1 1 35 35 LYS HD2 H 1 1.773 0.030 . 2 . . . . 35 LYS HD2 . 11345 1 352 . 1 1 35 35 LYS HD3 H 1 1.588 0.030 . 2 . . . . 35 LYS HD3 . 11345 1 353 . 1 1 35 35 LYS HE2 H 1 3.025 0.030 . 1 . . . . 35 LYS HE2 . 11345 1 354 . 1 1 35 35 LYS HE3 H 1 3.025 0.030 . 1 . . . . 35 LYS HE3 . 11345 1 355 . 1 1 35 35 LYS HG2 H 1 1.432 0.030 . 2 . . . . 35 LYS HG2 . 11345 1 356 . 1 1 35 35 LYS HG3 H 1 1.324 0.030 . 2 . . . . 35 LYS HG3 . 11345 1 357 . 1 1 35 35 LYS C C 13 174.834 0.300 . 1 . . . . 35 LYS C . 11345 1 358 . 1 1 35 35 LYS CA C 13 56.885 0.300 . 1 . . . . 35 LYS CA . 11345 1 359 . 1 1 35 35 LYS CB C 13 29.011 0.300 . 1 . . . . 35 LYS CB . 11345 1 360 . 1 1 35 35 LYS CD C 13 29.071 0.300 . 1 . . . . 35 LYS CD . 11345 1 361 . 1 1 35 35 LYS CE C 13 42.613 0.300 . 1 . . . . 35 LYS CE . 11345 1 362 . 1 1 35 35 LYS CG C 13 24.711 0.300 . 1 . . . . 35 LYS CG . 11345 1 363 . 1 1 35 35 LYS N N 15 117.389 0.300 . 1 . . . . 35 LYS N . 11345 1 364 . 1 1 36 36 ILE H H 1 7.974 0.030 . 1 . . . . 36 ILE H . 11345 1 365 . 1 1 36 36 ILE HA H 1 4.425 0.030 . 1 . . . . 36 ILE HA . 11345 1 366 . 1 1 36 36 ILE HB H 1 1.545 0.030 . 1 . . . . 36 ILE HB . 11345 1 367 . 1 1 36 36 ILE HD11 H 1 0.805 0.030 . 1 . . . . 36 ILE HD1 . 11345 1 368 . 1 1 36 36 ILE HD12 H 1 0.805 0.030 . 1 . . . . 36 ILE HD1 . 11345 1 369 . 1 1 36 36 ILE HD13 H 1 0.805 0.030 . 1 . . . . 36 ILE HD1 . 11345 1 370 . 1 1 36 36 ILE HG12 H 1 1.609 0.030 . 2 . . . . 36 ILE HG12 . 11345 1 371 . 1 1 36 36 ILE HG13 H 1 1.071 0.030 . 2 . . . . 36 ILE HG13 . 11345 1 372 . 1 1 36 36 ILE HG21 H 1 1.033 0.030 . 1 . . . . 36 ILE HG2 . 11345 1 373 . 1 1 36 36 ILE HG22 H 1 1.033 0.030 . 1 . . . . 36 ILE HG2 . 11345 1 374 . 1 1 36 36 ILE HG23 H 1 1.033 0.030 . 1 . . . . 36 ILE HG2 . 11345 1 375 . 1 1 36 36 ILE C C 13 173.181 0.300 . 1 . . . . 36 ILE C . 11345 1 376 . 1 1 36 36 ILE CA C 13 59.667 0.300 . 1 . . . . 36 ILE CA . 11345 1 377 . 1 1 36 36 ILE CB C 13 42.043 0.300 . 1 . . . . 36 ILE CB . 11345 1 378 . 1 1 36 36 ILE CD1 C 13 14.171 0.300 . 1 . . . . 36 ILE CD1 . 11345 1 379 . 1 1 36 36 ILE CG1 C 13 26.759 0.300 . 1 . . . . 36 ILE CG1 . 11345 1 380 . 1 1 36 36 ILE CG2 C 13 17.217 0.300 . 1 . . . . 36 ILE CG2 . 11345 1 381 . 1 1 36 36 ILE N N 15 118.546 0.300 . 1 . . . . 36 ILE N . 11345 1 382 . 1 1 37 37 LEU H H 1 8.063 0.030 . 1 . . . . 37 LEU H . 11345 1 383 . 1 1 37 37 LEU HA H 1 4.485 0.030 . 1 . . . . 37 LEU HA . 11345 1 384 . 1 1 37 37 LEU HB2 H 1 1.901 0.030 . 2 . . . . 37 LEU HB2 . 11345 1 385 . 1 1 37 37 LEU HB3 H 1 1.565 0.030 . 2 . . . . 37 LEU HB3 . 11345 1 386 . 1 1 37 37 LEU HD11 H 1 0.999 0.030 . 1 . . . . 37 LEU HD1 . 11345 1 387 . 1 1 37 37 LEU HD12 H 1 0.999 0.030 . 1 . . . . 37 LEU HD1 . 11345 1 388 . 1 1 37 37 LEU HD13 H 1 0.999 0.030 . 1 . . . . 37 LEU HD1 . 11345 1 389 . 1 1 37 37 LEU HD21 H 1 0.935 0.030 . 1 . . . . 37 LEU HD2 . 11345 1 390 . 1 1 37 37 LEU HD22 H 1 0.935 0.030 . 1 . . . . 37 LEU HD2 . 11345 1 391 . 1 1 37 37 LEU HD23 H 1 0.935 0.030 . 1 . . . . 37 LEU HD2 . 11345 1 392 . 1 1 37 37 LEU HG H 1 1.742 0.030 . 1 . . . . 37 LEU HG . 11345 1 393 . 1 1 37 37 LEU C C 13 174.831 0.300 . 1 . . . . 37 LEU C . 11345 1 394 . 1 1 37 37 LEU CA C 13 54.079 0.300 . 1 . . . . 37 LEU CA . 11345 1 395 . 1 1 37 37 LEU CB C 13 39.974 0.300 . 1 . . . . 37 LEU CB . 11345 1 396 . 1 1 37 37 LEU CD1 C 13 25.548 0.300 . 2 . . . . 37 LEU CD1 . 11345 1 397 . 1 1 37 37 LEU CD2 C 13 23.713 0.300 . 2 . . . . 37 LEU CD2 . 11345 1 398 . 1 1 37 37 LEU CG C 13 28.200 0.300 . 1 . . . . 37 LEU CG . 11345 1 399 . 1 1 37 37 LEU N N 15 122.011 0.300 . 1 . . . . 37 LEU N . 11345 1 400 . 1 1 38 38 PRO HA H 1 4.410 0.030 . 1 . . . . 38 PRO HA . 11345 1 401 . 1 1 38 38 PRO HB2 H 1 2.297 0.030 . 2 . . . . 38 PRO HB2 . 11345 1 402 . 1 1 38 38 PRO HB3 H 1 2.156 0.030 . 2 . . . . 38 PRO HB3 . 11345 1 403 . 1 1 38 38 PRO HD2 H 1 4.090 0.030 . 2 . . . . 38 PRO HD2 . 11345 1 404 . 1 1 38 38 PRO HD3 H 1 3.810 0.030 . 2 . . . . 38 PRO HD3 . 11345 1 405 . 1 1 38 38 PRO HG2 H 1 2.206 0.030 . 2 . . . . 38 PRO HG2 . 11345 1 406 . 1 1 38 38 PRO HG3 H 1 1.989 0.030 . 2 . . . . 38 PRO HG3 . 11345 1 407 . 1 1 38 38 PRO CA C 13 66.753 0.300 . 1 . . . . 38 PRO CA . 11345 1 408 . 1 1 38 38 PRO CB C 13 32.448 0.300 . 1 . . . . 38 PRO CB . 11345 1 409 . 1 1 38 38 PRO CD C 13 50.227 0.300 . 1 . . . . 38 PRO CD . 11345 1 410 . 1 1 38 38 PRO CG C 13 28.590 0.300 . 1 . . . . 38 PRO CG . 11345 1 411 . 1 1 39 39 LYS H H 1 9.414 0.030 . 1 . . . . 39 LYS H . 11345 1 412 . 1 1 39 39 LYS HA H 1 4.304 0.030 . 1 . . . . 39 LYS HA . 11345 1 413 . 1 1 39 39 LYS HB2 H 1 2.024 0.030 . 2 . . . . 39 LYS HB2 . 11345 1 414 . 1 1 39 39 LYS HB3 H 1 1.953 0.030 . 2 . . . . 39 LYS HB3 . 11345 1 415 . 1 1 39 39 LYS HD2 H 1 1.727 0.030 . 1 . . . . 39 LYS HD2 . 11345 1 416 . 1 1 39 39 LYS HD3 H 1 1.727 0.030 . 1 . . . . 39 LYS HD3 . 11345 1 417 . 1 1 39 39 LYS HE2 H 1 2.985 0.030 . 2 . . . . 39 LYS HE2 . 11345 1 418 . 1 1 39 39 LYS HE3 H 1 2.879 0.030 . 2 . . . . 39 LYS HE3 . 11345 1 419 . 1 1 39 39 LYS HG2 H 1 1.609 0.030 . 2 . . . . 39 LYS HG2 . 11345 1 420 . 1 1 39 39 LYS HG3 H 1 1.495 0.030 . 2 . . . . 39 LYS HG3 . 11345 1 421 . 1 1 39 39 LYS CA C 13 62.114 0.300 . 1 . . . . 39 LYS CA . 11345 1 422 . 1 1 39 39 LYS CB C 13 29.365 0.300 . 1 . . . . 39 LYS CB . 11345 1 423 . 1 1 39 39 LYS CD C 13 29.408 0.300 . 1 . . . . 39 LYS CD . 11345 1 424 . 1 1 39 39 LYS CE C 13 41.726 0.300 . 1 . . . . 39 LYS CE . 11345 1 425 . 1 1 39 39 LYS CG C 13 25.896 0.300 . 1 . . . . 39 LYS CG . 11345 1 426 . 1 1 39 39 LYS N N 15 115.216 0.300 . 1 . . . . 39 LYS N . 11345 1 427 . 1 1 40 40 PRO HA H 1 4.265 0.030 . 1 . . . . 40 PRO HA . 11345 1 428 . 1 1 40 40 PRO HB2 H 1 2.324 0.030 . 2 . . . . 40 PRO HB2 . 11345 1 429 . 1 1 40 40 PRO HB3 H 1 1.885 0.030 . 2 . . . . 40 PRO HB3 . 11345 1 430 . 1 1 40 40 PRO HD2 H 1 3.687 0.030 . 2 . . . . 40 PRO HD2 . 11345 1 431 . 1 1 40 40 PRO HD3 H 1 3.578 0.030 . 2 . . . . 40 PRO HD3 . 11345 1 432 . 1 1 40 40 PRO HG2 H 1 2.341 0.030 . 2 . . . . 40 PRO HG2 . 11345 1 433 . 1 1 40 40 PRO HG3 H 1 1.998 0.030 . 2 . . . . 40 PRO HG3 . 11345 1 434 . 1 1 40 40 PRO C C 13 180.032 0.300 . 1 . . . . 40 PRO C . 11345 1 435 . 1 1 40 40 PRO CA C 13 65.961 0.300 . 1 . . . . 40 PRO CA . 11345 1 436 . 1 1 40 40 PRO CB C 13 30.797 0.300 . 1 . . . . 40 PRO CB . 11345 1 437 . 1 1 40 40 PRO CD C 13 49.251 0.300 . 1 . . . . 40 PRO CD . 11345 1 438 . 1 1 40 40 PRO CG C 13 28.212 0.300 . 1 . . . . 40 PRO CG . 11345 1 439 . 1 1 41 41 TYR H H 1 8.106 0.030 . 1 . . . . 41 TYR H . 11345 1 440 . 1 1 41 41 TYR HA H 1 4.089 0.030 . 1 . . . . 41 TYR HA . 11345 1 441 . 1 1 41 41 TYR HB2 H 1 3.182 0.030 . 2 . . . . 41 TYR HB2 . 11345 1 442 . 1 1 41 41 TYR HB3 H 1 3.036 0.030 . 2 . . . . 41 TYR HB3 . 11345 1 443 . 1 1 41 41 TYR HD1 H 1 6.745 0.030 . 1 . . . . 41 TYR HD1 . 11345 1 444 . 1 1 41 41 TYR HD2 H 1 6.745 0.030 . 1 . . . . 41 TYR HD2 . 11345 1 445 . 1 1 41 41 TYR HE1 H 1 6.622 0.030 . 1 . . . . 41 TYR HE1 . 11345 1 446 . 1 1 41 41 TYR HE2 H 1 6.622 0.030 . 1 . . . . 41 TYR HE2 . 11345 1 447 . 1 1 41 41 TYR C C 13 175.622 0.300 . 1 . . . . 41 TYR C . 11345 1 448 . 1 1 41 41 TYR CA C 13 62.026 0.300 . 1 . . . . 41 TYR CA . 11345 1 449 . 1 1 41 41 TYR CB C 13 37.934 0.300 . 1 . . . . 41 TYR CB . 11345 1 450 . 1 1 41 41 TYR CD1 C 13 132.933 0.300 . 1 . . . . 41 TYR CD1 . 11345 1 451 . 1 1 41 41 TYR CD2 C 13 132.933 0.300 . 1 . . . . 41 TYR CD2 . 11345 1 452 . 1 1 41 41 TYR CE1 C 13 116.947 0.300 . 1 . . . . 41 TYR CE1 . 11345 1 453 . 1 1 41 41 TYR CE2 C 13 116.947 0.300 . 1 . . . . 41 TYR CE2 . 11345 1 454 . 1 1 41 41 TYR N N 15 119.334 0.300 . 1 . . . . 41 TYR N . 11345 1 455 . 1 1 42 42 LEU H H 1 8.689 0.030 . 1 . . . . 42 LEU H . 11345 1 456 . 1 1 42 42 LEU HA H 1 3.580 0.030 . 1 . . . . 42 LEU HA . 11345 1 457 . 1 1 42 42 LEU HB2 H 1 2.135 0.030 . 2 . . . . 42 LEU HB2 . 11345 1 458 . 1 1 42 42 LEU HB3 H 1 1.372 0.030 . 2 . . . . 42 LEU HB3 . 11345 1 459 . 1 1 42 42 LEU HD11 H 1 0.911 0.030 . 1 . . . . 42 LEU HD1 . 11345 1 460 . 1 1 42 42 LEU HD12 H 1 0.911 0.030 . 1 . . . . 42 LEU HD1 . 11345 1 461 . 1 1 42 42 LEU HD13 H 1 0.911 0.030 . 1 . . . . 42 LEU HD1 . 11345 1 462 . 1 1 42 42 LEU HD21 H 1 0.926 0.030 . 1 . . . . 42 LEU HD2 . 11345 1 463 . 1 1 42 42 LEU HD22 H 1 0.926 0.030 . 1 . . . . 42 LEU HD2 . 11345 1 464 . 1 1 42 42 LEU HD23 H 1 0.926 0.030 . 1 . . . . 42 LEU HD2 . 11345 1 465 . 1 1 42 42 LEU HG H 1 1.999 0.030 . 1 . . . . 42 LEU HG . 11345 1 466 . 1 1 42 42 LEU C C 13 180.816 0.300 . 1 . . . . 42 LEU C . 11345 1 467 . 1 1 42 42 LEU CA C 13 58.090 0.300 . 1 . . . . 42 LEU CA . 11345 1 468 . 1 1 42 42 LEU CB C 13 41.251 0.300 . 1 . . . . 42 LEU CB . 11345 1 469 . 1 1 42 42 LEU CD1 C 13 25.947 0.300 . 2 . . . . 42 LEU CD1 . 11345 1 470 . 1 1 42 42 LEU CD2 C 13 22.921 0.300 . 2 . . . . 42 LEU CD2 . 11345 1 471 . 1 1 42 42 LEU CG C 13 27.425 0.300 . 1 . . . . 42 LEU CG . 11345 1 472 . 1 1 42 42 LEU N N 15 121.589 0.300 . 1 . . . . 42 LEU N . 11345 1 473 . 1 1 43 43 VAL H H 1 7.878 0.030 . 1 . . . . 43 VAL H . 11345 1 474 . 1 1 43 43 VAL HA H 1 3.710 0.030 . 1 . . . . 43 VAL HA . 11345 1 475 . 1 1 43 43 VAL HB H 1 2.211 0.030 . 1 . . . . 43 VAL HB . 11345 1 476 . 1 1 43 43 VAL HG11 H 1 0.933 0.030 . 1 . . . . 43 VAL HG1 . 11345 1 477 . 1 1 43 43 VAL HG12 H 1 0.933 0.030 . 1 . . . . 43 VAL HG1 . 11345 1 478 . 1 1 43 43 VAL HG13 H 1 0.933 0.030 . 1 . . . . 43 VAL HG1 . 11345 1 479 . 1 1 43 43 VAL HG21 H 1 1.036 0.030 . 1 . . . . 43 VAL HG2 . 11345 1 480 . 1 1 43 43 VAL HG22 H 1 1.036 0.030 . 1 . . . . 43 VAL HG2 . 11345 1 481 . 1 1 43 43 VAL HG23 H 1 1.036 0.030 . 1 . . . . 43 VAL HG2 . 11345 1 482 . 1 1 43 43 VAL C C 13 178.197 0.300 . 1 . . . . 43 VAL C . 11345 1 483 . 1 1 43 43 VAL CA C 13 66.763 0.300 . 1 . . . . 43 VAL CA . 11345 1 484 . 1 1 43 43 VAL CB C 13 31.837 0.300 . 1 . . . . 43 VAL CB . 11345 1 485 . 1 1 43 43 VAL CG1 C 13 21.187 0.300 . 2 . . . . 43 VAL CG1 . 11345 1 486 . 1 1 43 43 VAL CG2 C 13 22.718 0.300 . 2 . . . . 43 VAL CG2 . 11345 1 487 . 1 1 43 43 VAL N N 15 120.942 0.300 . 1 . . . . 43 VAL N . 11345 1 488 . 1 1 44 44 LEU H H 1 7.602 0.030 . 1 . . . . 44 LEU H . 11345 1 489 . 1 1 44 44 LEU HA H 1 3.892 0.030 . 1 . . . . 44 LEU HA . 11345 1 490 . 1 1 44 44 LEU HB2 H 1 2.135 0.030 . 2 . . . . 44 LEU HB2 . 11345 1 491 . 1 1 44 44 LEU HB3 H 1 1.258 0.030 . 2 . . . . 44 LEU HB3 . 11345 1 492 . 1 1 44 44 LEU HD11 H 1 0.908 0.030 . 1 . . . . 44 LEU HD1 . 11345 1 493 . 1 1 44 44 LEU HD12 H 1 0.908 0.030 . 1 . . . . 44 LEU HD1 . 11345 1 494 . 1 1 44 44 LEU HD13 H 1 0.908 0.030 . 1 . . . . 44 LEU HD1 . 11345 1 495 . 1 1 44 44 LEU HD21 H 1 0.878 0.030 . 1 . . . . 44 LEU HD2 . 11345 1 496 . 1 1 44 44 LEU HD22 H 1 0.878 0.030 . 1 . . . . 44 LEU HD2 . 11345 1 497 . 1 1 44 44 LEU HD23 H 1 0.878 0.030 . 1 . . . . 44 LEU HD2 . 11345 1 498 . 1 1 44 44 LEU HG H 1 2.079 0.030 . 1 . . . . 44 LEU HG . 11345 1 499 . 1 1 44 44 LEU C C 13 178.416 0.300 . 1 . . . . 44 LEU C . 11345 1 500 . 1 1 44 44 LEU CA C 13 57.966 0.300 . 1 . . . . 44 LEU CA . 11345 1 501 . 1 1 44 44 LEU CB C 13 40.979 0.300 . 1 . . . . 44 LEU CB . 11345 1 502 . 1 1 44 44 LEU CD1 C 13 23.315 0.300 . 2 . . . . 44 LEU CD1 . 11345 1 503 . 1 1 44 44 LEU CD2 C 13 26.339 0.300 . 2 . . . . 44 LEU CD2 . 11345 1 504 . 1 1 44 44 LEU CG C 13 26.205 0.300 . 1 . . . . 44 LEU CG . 11345 1 505 . 1 1 44 44 LEU N N 15 120.855 0.300 . 1 . . . . 44 LEU N . 11345 1 506 . 1 1 45 45 LYS H H 1 8.799 0.030 . 1 . . . . 45 LYS H . 11345 1 507 . 1 1 45 45 LYS HA H 1 3.794 0.030 . 1 . . . . 45 LYS HA . 11345 1 508 . 1 1 45 45 LYS HB2 H 1 1.803 0.030 . 2 . . . . 45 LYS HB2 . 11345 1 509 . 1 1 45 45 LYS HB3 H 1 1.408 0.030 . 2 . . . . 45 LYS HB3 . 11345 1 510 . 1 1 45 45 LYS HD2 H 1 1.842 0.030 . 2 . . . . 45 LYS HD2 . 11345 1 511 . 1 1 45 45 LYS HD3 H 1 1.618 0.030 . 2 . . . . 45 LYS HD3 . 11345 1 512 . 1 1 45 45 LYS HE2 H 1 2.582 0.030 . 2 . . . . 45 LYS HE2 . 11345 1 513 . 1 1 45 45 LYS HE3 H 1 2.412 0.030 . 2 . . . . 45 LYS HE3 . 11345 1 514 . 1 1 45 45 LYS HG2 H 1 1.392 0.030 . 2 . . . . 45 LYS HG2 . 11345 1 515 . 1 1 45 45 LYS HG3 H 1 1.337 0.030 . 2 . . . . 45 LYS HG3 . 11345 1 516 . 1 1 45 45 LYS C C 13 177.700 0.300 . 1 . . . . 45 LYS C . 11345 1 517 . 1 1 45 45 LYS CA C 13 59.996 0.300 . 1 . . . . 45 LYS CA . 11345 1 518 . 1 1 45 45 LYS CB C 13 33.814 0.300 . 1 . . . . 45 LYS CB . 11345 1 519 . 1 1 45 45 LYS CD C 13 30.957 0.300 . 1 . . . . 45 LYS CD . 11345 1 520 . 1 1 45 45 LYS CE C 13 42.218 0.300 . 1 . . . . 45 LYS CE . 11345 1 521 . 1 1 45 45 LYS CG C 13 25.437 0.300 . 1 . . . . 45 LYS CG . 11345 1 522 . 1 1 45 45 LYS N N 15 120.184 0.300 . 1 . . . . 45 LYS N . 11345 1 523 . 1 1 46 46 GLU H H 1 7.646 0.030 . 1 . . . . 46 GLU H . 11345 1 524 . 1 1 46 46 GLU HA H 1 4.211 0.030 . 1 . . . . 46 GLU HA . 11345 1 525 . 1 1 46 46 GLU HB2 H 1 2.200 0.030 . 1 . . . . 46 GLU HB2 . 11345 1 526 . 1 1 46 46 GLU HB3 H 1 2.200 0.030 . 1 . . . . 46 GLU HB3 . 11345 1 527 . 1 1 46 46 GLU HG2 H 1 2.404 0.030 . 2 . . . . 46 GLU HG2 . 11345 1 528 . 1 1 46 46 GLU HG3 H 1 2.287 0.030 . 2 . . . . 46 GLU HG3 . 11345 1 529 . 1 1 46 46 GLU C C 13 179.354 0.300 . 1 . . . . 46 GLU C . 11345 1 530 . 1 1 46 46 GLU CA C 13 59.553 0.300 . 1 . . . . 46 GLU CA . 11345 1 531 . 1 1 46 46 GLU CB C 13 29.264 0.300 . 1 . . . . 46 GLU CB . 11345 1 532 . 1 1 46 46 GLU CG C 13 36.190 0.300 . 1 . . . . 46 GLU CG . 11345 1 533 . 1 1 46 46 GLU N N 15 118.260 0.300 . 1 . . . . 46 GLU N . 11345 1 534 . 1 1 47 47 VAL H H 1 8.217 0.030 . 1 . . . . 47 VAL H . 11345 1 535 . 1 1 47 47 VAL HA H 1 3.550 0.030 . 1 . . . . 47 VAL HA . 11345 1 536 . 1 1 47 47 VAL HB H 1 2.271 0.030 . 1 . . . . 47 VAL HB . 11345 1 537 . 1 1 47 47 VAL HG11 H 1 0.905 0.030 . 1 . . . . 47 VAL HG1 . 11345 1 538 . 1 1 47 47 VAL HG12 H 1 0.905 0.030 . 1 . . . . 47 VAL HG1 . 11345 1 539 . 1 1 47 47 VAL HG13 H 1 0.905 0.030 . 1 . . . . 47 VAL HG1 . 11345 1 540 . 1 1 47 47 VAL HG21 H 1 1.099 0.030 . 1 . . . . 47 VAL HG2 . 11345 1 541 . 1 1 47 47 VAL HG22 H 1 1.099 0.030 . 1 . . . . 47 VAL HG2 . 11345 1 542 . 1 1 47 47 VAL HG23 H 1 1.099 0.030 . 1 . . . . 47 VAL HG2 . 11345 1 543 . 1 1 47 47 VAL C C 13 179.246 0.300 . 1 . . . . 47 VAL C . 11345 1 544 . 1 1 47 47 VAL CA C 13 67.080 0.300 . 1 . . . . 47 VAL CA . 11345 1 545 . 1 1 47 47 VAL CB C 13 31.558 0.300 . 1 . . . . 47 VAL CB . 11345 1 546 . 1 1 47 47 VAL CG1 C 13 21.511 0.300 . 2 . . . . 47 VAL CG1 . 11345 1 547 . 1 1 47 47 VAL CG2 C 13 22.960 0.300 . 2 . . . . 47 VAL CG2 . 11345 1 548 . 1 1 47 47 VAL N N 15 121.609 0.300 . 1 . . . . 47 VAL N . 11345 1 549 . 1 1 48 48 MET H H 1 8.245 0.030 . 1 . . . . 48 MET H . 11345 1 550 . 1 1 48 48 MET HA H 1 3.881 0.030 . 1 . . . . 48 MET HA . 11345 1 551 . 1 1 48 48 MET HB2 H 1 2.145 0.030 . 2 . . . . 48 MET HB2 . 11345 1 552 . 1 1 48 48 MET HB3 H 1 1.225 0.030 . 2 . . . . 48 MET HB3 . 11345 1 553 . 1 1 48 48 MET HE1 H 1 1.159 0.030 . 1 . . . . 48 MET HE . 11345 1 554 . 1 1 48 48 MET HE2 H 1 1.159 0.030 . 1 . . . . 48 MET HE . 11345 1 555 . 1 1 48 48 MET HE3 H 1 1.159 0.030 . 1 . . . . 48 MET HE . 11345 1 556 . 1 1 48 48 MET HG2 H 1 2.108 0.030 . 2 . . . . 48 MET HG2 . 11345 1 557 . 1 1 48 48 MET HG3 H 1 1.838 0.030 . 2 . . . . 48 MET HG3 . 11345 1 558 . 1 1 48 48 MET C C 13 178.393 0.300 . 1 . . . . 48 MET C . 11345 1 559 . 1 1 48 48 MET CA C 13 58.004 0.300 . 1 . . . . 48 MET CA . 11345 1 560 . 1 1 48 48 MET CB C 13 33.057 0.300 . 1 . . . . 48 MET CB . 11345 1 561 . 1 1 48 48 MET CE C 13 16.252 0.300 . 1 . . . . 48 MET CE . 11345 1 562 . 1 1 48 48 MET CG C 13 32.672 0.300 . 1 . . . . 48 MET CG . 11345 1 563 . 1 1 48 48 MET N N 15 119.171 0.300 . 1 . . . . 48 MET N . 11345 1 564 . 1 1 49 49 PHE H H 1 8.577 0.030 . 1 . . . . 49 PHE H . 11345 1 565 . 1 1 49 49 PHE HA H 1 4.346 0.030 . 1 . . . . 49 PHE HA . 11345 1 566 . 1 1 49 49 PHE HB2 H 1 3.146 0.030 . 2 . . . . 49 PHE HB2 . 11345 1 567 . 1 1 49 49 PHE HB3 H 1 3.081 0.030 . 2 . . . . 49 PHE HB3 . 11345 1 568 . 1 1 49 49 PHE HD1 H 1 7.395 0.030 . 1 . . . . 49 PHE HD1 . 11345 1 569 . 1 1 49 49 PHE HD2 H 1 7.395 0.030 . 1 . . . . 49 PHE HD2 . 11345 1 570 . 1 1 49 49 PHE HE1 H 1 6.770 0.030 . 1 . . . . 49 PHE HE1 . 11345 1 571 . 1 1 49 49 PHE HE2 H 1 6.770 0.030 . 1 . . . . 49 PHE HE2 . 11345 1 572 . 1 1 49 49 PHE HZ H 1 5.957 0.030 . 1 . . . . 49 PHE HZ . 11345 1 573 . 1 1 49 49 PHE C C 13 179.248 0.300 . 1 . . . . 49 PHE C . 11345 1 574 . 1 1 49 49 PHE CA C 13 63.255 0.300 . 1 . . . . 49 PHE CA . 11345 1 575 . 1 1 49 49 PHE CB C 13 38.305 0.300 . 1 . . . . 49 PHE CB . 11345 1 576 . 1 1 49 49 PHE CD1 C 13 131.256 0.300 . 1 . . . . 49 PHE CD1 . 11345 1 577 . 1 1 49 49 PHE CD2 C 13 131.256 0.300 . 1 . . . . 49 PHE CD2 . 11345 1 578 . 1 1 49 49 PHE CE1 C 13 131.258 0.300 . 1 . . . . 49 PHE CE1 . 11345 1 579 . 1 1 49 49 PHE CE2 C 13 131.258 0.300 . 1 . . . . 49 PHE CE2 . 11345 1 580 . 1 1 49 49 PHE CZ C 13 129.226 0.300 . 1 . . . . 49 PHE CZ . 11345 1 581 . 1 1 49 49 PHE N N 15 117.363 0.300 . 1 . . . . 49 PHE N . 11345 1 582 . 1 1 50 50 ARG H H 1 8.625 0.030 . 1 . . . . 50 ARG H . 11345 1 583 . 1 1 50 50 ARG HA H 1 4.126 0.030 . 1 . . . . 50 ARG HA . 11345 1 584 . 1 1 50 50 ARG HB2 H 1 2.055 0.030 . 1 . . . . 50 ARG HB2 . 11345 1 585 . 1 1 50 50 ARG HB3 H 1 2.055 0.030 . 1 . . . . 50 ARG HB3 . 11345 1 586 . 1 1 50 50 ARG HD2 H 1 3.266 0.030 . 1 . . . . 50 ARG HD2 . 11345 1 587 . 1 1 50 50 ARG HD3 H 1 3.266 0.030 . 1 . . . . 50 ARG HD3 . 11345 1 588 . 1 1 50 50 ARG HG2 H 1 1.898 0.030 . 2 . . . . 50 ARG HG2 . 11345 1 589 . 1 1 50 50 ARG HG3 H 1 1.654 0.030 . 2 . . . . 50 ARG HG3 . 11345 1 590 . 1 1 50 50 ARG C C 13 179.332 0.300 . 1 . . . . 50 ARG C . 11345 1 591 . 1 1 50 50 ARG CA C 13 59.861 0.300 . 1 . . . . 50 ARG CA . 11345 1 592 . 1 1 50 50 ARG CB C 13 30.170 0.300 . 1 . . . . 50 ARG CB . 11345 1 593 . 1 1 50 50 ARG CD C 13 43.755 0.300 . 1 . . . . 50 ARG CD . 11345 1 594 . 1 1 50 50 ARG CG C 13 27.699 0.300 . 1 . . . . 50 ARG CG . 11345 1 595 . 1 1 50 50 ARG N N 15 120.215 0.300 . 1 . . . . 50 ARG N . 11345 1 596 . 1 1 51 51 GLU H H 1 8.094 0.030 . 1 . . . . 51 GLU H . 11345 1 597 . 1 1 51 51 GLU HA H 1 4.326 0.030 . 1 . . . . 51 GLU HA . 11345 1 598 . 1 1 51 51 GLU HB2 H 1 2.053 0.030 . 2 . . . . 51 GLU HB2 . 11345 1 599 . 1 1 51 51 GLU HB3 H 1 1.919 0.030 . 2 . . . . 51 GLU HB3 . 11345 1 600 . 1 1 51 51 GLU HG2 H 1 2.375 0.030 . 2 . . . . 51 GLU HG2 . 11345 1 601 . 1 1 51 51 GLU HG3 H 1 2.326 0.030 . 2 . . . . 51 GLU HG3 . 11345 1 602 . 1 1 51 51 GLU C C 13 179.879 0.300 . 1 . . . . 51 GLU C . 11345 1 603 . 1 1 51 51 GLU CA C 13 58.514 0.300 . 1 . . . . 51 GLU CA . 11345 1 604 . 1 1 51 51 GLU CB C 13 29.422 0.300 . 1 . . . . 51 GLU CB . 11345 1 605 . 1 1 51 51 GLU CG C 13 35.122 0.300 . 1 . . . . 51 GLU CG . 11345 1 606 . 1 1 51 51 GLU N N 15 121.986 0.300 . 1 . . . . 51 GLU N . 11345 1 607 . 1 1 52 52 LEU H H 1 8.804 0.030 . 1 . . . . 52 LEU H . 11345 1 608 . 1 1 52 52 LEU HA H 1 3.919 0.030 . 1 . . . . 52 LEU HA . 11345 1 609 . 1 1 52 52 LEU HB2 H 1 2.048 0.030 . 2 . . . . 52 LEU HB2 . 11345 1 610 . 1 1 52 52 LEU HB3 H 1 1.567 0.030 . 2 . . . . 52 LEU HB3 . 11345 1 611 . 1 1 52 52 LEU HD11 H 1 0.842 0.030 . 1 . . . . 52 LEU HD1 . 11345 1 612 . 1 1 52 52 LEU HD12 H 1 0.842 0.030 . 1 . . . . 52 LEU HD1 . 11345 1 613 . 1 1 52 52 LEU HD13 H 1 0.842 0.030 . 1 . . . . 52 LEU HD1 . 11345 1 614 . 1 1 52 52 LEU HD21 H 1 0.854 0.030 . 1 . . . . 52 LEU HD2 . 11345 1 615 . 1 1 52 52 LEU HD22 H 1 0.854 0.030 . 1 . . . . 52 LEU HD2 . 11345 1 616 . 1 1 52 52 LEU HD23 H 1 0.854 0.030 . 1 . . . . 52 LEU HD2 . 11345 1 617 . 1 1 52 52 LEU HG H 1 1.705 0.030 . 1 . . . . 52 LEU HG . 11345 1 618 . 1 1 52 52 LEU C C 13 179.808 0.300 . 1 . . . . 52 LEU C . 11345 1 619 . 1 1 52 52 LEU CA C 13 58.171 0.300 . 1 . . . . 52 LEU CA . 11345 1 620 . 1 1 52 52 LEU CB C 13 41.604 0.300 . 1 . . . . 52 LEU CB . 11345 1 621 . 1 1 52 52 LEU CD1 C 13 25.616 0.300 . 2 . . . . 52 LEU CD1 . 11345 1 622 . 1 1 52 52 LEU CD2 C 13 24.334 0.300 . 2 . . . . 52 LEU CD2 . 11345 1 623 . 1 1 52 52 LEU CG C 13 27.262 0.300 . 1 . . . . 52 LEU CG . 11345 1 624 . 1 1 52 52 LEU N N 15 121.264 0.300 . 1 . . . . 52 LEU N . 11345 1 625 . 1 1 53 53 LEU H H 1 7.949 0.030 . 1 . . . . 53 LEU H . 11345 1 626 . 1 1 53 53 LEU HA H 1 4.214 0.030 . 1 . . . . 53 LEU HA . 11345 1 627 . 1 1 53 53 LEU HB2 H 1 1.885 0.030 . 2 . . . . 53 LEU HB2 . 11345 1 628 . 1 1 53 53 LEU HB3 H 1 1.781 0.030 . 2 . . . . 53 LEU HB3 . 11345 1 629 . 1 1 53 53 LEU HD11 H 1 0.940 0.030 . 1 . . . . 53 LEU HD1 . 11345 1 630 . 1 1 53 53 LEU HD12 H 1 0.940 0.030 . 1 . . . . 53 LEU HD1 . 11345 1 631 . 1 1 53 53 LEU HD13 H 1 0.940 0.030 . 1 . . . . 53 LEU HD1 . 11345 1 632 . 1 1 53 53 LEU HD21 H 1 0.940 0.030 . 1 . . . . 53 LEU HD2 . 11345 1 633 . 1 1 53 53 LEU HD22 H 1 0.940 0.030 . 1 . . . . 53 LEU HD2 . 11345 1 634 . 1 1 53 53 LEU HD23 H 1 0.940 0.030 . 1 . . . . 53 LEU HD2 . 11345 1 635 . 1 1 53 53 LEU HG H 1 1.770 0.030 . 1 . . . . 53 LEU HG . 11345 1 636 . 1 1 53 53 LEU C C 13 180.220 0.300 . 1 . . . . 53 LEU C . 11345 1 637 . 1 1 53 53 LEU CA C 13 57.930 0.300 . 1 . . . . 53 LEU CA . 11345 1 638 . 1 1 53 53 LEU CB C 13 41.824 0.300 . 1 . . . . 53 LEU CB . 11345 1 639 . 1 1 53 53 LEU CD1 C 13 24.300 0.300 . 1 . . . . 53 LEU CD1 . 11345 1 640 . 1 1 53 53 LEU CD2 C 13 24.300 0.300 . 1 . . . . 53 LEU CD2 . 11345 1 641 . 1 1 53 53 LEU CG C 13 27.107 0.300 . 1 . . . . 53 LEU CG . 11345 1 642 . 1 1 53 53 LEU N N 15 119.989 0.300 . 1 . . . . 53 LEU N . 11345 1 643 . 1 1 54 54 LYS H H 1 7.799 0.030 . 1 . . . . 54 LYS H . 11345 1 644 . 1 1 54 54 LYS HA H 1 4.110 0.030 . 1 . . . . 54 LYS HA . 11345 1 645 . 1 1 54 54 LYS HB2 H 1 2.036 0.030 . 1 . . . . 54 LYS HB2 . 11345 1 646 . 1 1 54 54 LYS HB3 H 1 2.036 0.030 . 1 . . . . 54 LYS HB3 . 11345 1 647 . 1 1 54 54 LYS HD2 H 1 1.728 0.030 . 1 . . . . 54 LYS HD2 . 11345 1 648 . 1 1 54 54 LYS HD3 H 1 1.728 0.030 . 1 . . . . 54 LYS HD3 . 11345 1 649 . 1 1 54 54 LYS HE2 H 1 2.947 0.030 . 1 . . . . 54 LYS HE2 . 11345 1 650 . 1 1 54 54 LYS HE3 H 1 2.947 0.030 . 1 . . . . 54 LYS HE3 . 11345 1 651 . 1 1 54 54 LYS HG2 H 1 1.632 0.030 . 2 . . . . 54 LYS HG2 . 11345 1 652 . 1 1 54 54 LYS HG3 H 1 1.435 0.030 . 2 . . . . 54 LYS HG3 . 11345 1 653 . 1 1 54 54 LYS C C 13 178.718 0.300 . 1 . . . . 54 LYS C . 11345 1 654 . 1 1 54 54 LYS CA C 13 59.427 0.300 . 1 . . . . 54 LYS CA . 11345 1 655 . 1 1 54 54 LYS CB C 13 33.153 0.300 . 1 . . . . 54 LYS CB . 11345 1 656 . 1 1 54 54 LYS CD C 13 29.509 0.300 . 1 . . . . 54 LYS CD . 11345 1 657 . 1 1 54 54 LYS CE C 13 41.939 0.300 . 1 . . . . 54 LYS CE . 11345 1 658 . 1 1 54 54 LYS CG C 13 24.733 0.300 . 1 . . . . 54 LYS CG . 11345 1 659 . 1 1 54 54 LYS N N 15 120.208 0.300 . 1 . . . . 54 LYS N . 11345 1 660 . 1 1 55 55 THR H H 1 8.118 0.030 . 1 . . . . 55 THR H . 11345 1 661 . 1 1 55 55 THR HA H 1 4.461 0.030 . 1 . . . . 55 THR HA . 11345 1 662 . 1 1 55 55 THR HB H 1 4.629 0.030 . 1 . . . . 55 THR HB . 11345 1 663 . 1 1 55 55 THR HG21 H 1 1.339 0.030 . 1 . . . . 55 THR HG2 . 11345 1 664 . 1 1 55 55 THR HG22 H 1 1.339 0.030 . 1 . . . . 55 THR HG2 . 11345 1 665 . 1 1 55 55 THR HG23 H 1 1.339 0.030 . 1 . . . . 55 THR HG2 . 11345 1 666 . 1 1 55 55 THR C C 13 176.795 0.300 . 1 . . . . 55 THR C . 11345 1 667 . 1 1 55 55 THR CA C 13 61.739 0.300 . 1 . . . . 55 THR CA . 11345 1 668 . 1 1 55 55 THR CB C 13 70.815 0.300 . 1 . . . . 55 THR CB . 11345 1 669 . 1 1 55 55 THR CG2 C 13 21.860 0.300 . 1 . . . . 55 THR CG2 . 11345 1 670 . 1 1 55 55 THR N N 15 106.295 0.300 . 1 . . . . 55 THR N . 11345 1 671 . 1 1 56 56 GLY H H 1 7.831 0.030 . 1 . . . . 56 GLY H . 11345 1 672 . 1 1 56 56 GLY HA2 H 1 4.067 0.030 . 2 . . . . 56 GLY HA2 . 11345 1 673 . 1 1 56 56 GLY HA3 H 1 4.002 0.030 . 2 . . . . 56 GLY HA3 . 11345 1 674 . 1 1 56 56 GLY C C 13 175.535 0.300 . 1 . . . . 56 GLY C . 11345 1 675 . 1 1 56 56 GLY CA C 13 46.810 0.300 . 1 . . . . 56 GLY CA . 11345 1 676 . 1 1 56 56 GLY N N 15 112.090 0.300 . 1 . . . . 56 GLY N . 11345 1 677 . 1 1 57 57 GLY H H 1 8.859 0.030 . 1 . . . . 57 GLY H . 11345 1 678 . 1 1 57 57 GLY HA2 H 1 4.310 0.030 . 2 . . . . 57 GLY HA2 . 11345 1 679 . 1 1 57 57 GLY HA3 H 1 3.564 0.030 . 2 . . . . 57 GLY HA3 . 11345 1 680 . 1 1 57 57 GLY C C 13 173.393 0.300 . 1 . . . . 57 GLY C . 11345 1 681 . 1 1 57 57 GLY CA C 13 45.171 0.300 . 1 . . . . 57 GLY CA . 11345 1 682 . 1 1 57 57 GLY N N 15 106.023 0.300 . 1 . . . . 57 GLY N . 11345 1 683 . 1 1 58 58 ASN H H 1 7.435 0.030 . 1 . . . . 58 ASN H . 11345 1 684 . 1 1 58 58 ASN HA H 1 4.863 0.030 . 1 . . . . 58 ASN HA . 11345 1 685 . 1 1 58 58 ASN HB2 H 1 2.837 0.030 . 2 . . . . 58 ASN HB2 . 11345 1 686 . 1 1 58 58 ASN HB3 H 1 2.697 0.030 . 2 . . . . 58 ASN HB3 . 11345 1 687 . 1 1 58 58 ASN HD21 H 1 7.581 0.030 . 2 . . . . 58 ASN HD21 . 11345 1 688 . 1 1 58 58 ASN HD22 H 1 6.919 0.030 . 2 . . . . 58 ASN HD22 . 11345 1 689 . 1 1 58 58 ASN C C 13 173.314 0.300 . 1 . . . . 58 ASN C . 11345 1 690 . 1 1 58 58 ASN CA C 13 52.450 0.300 . 1 . . . . 58 ASN CA . 11345 1 691 . 1 1 58 58 ASN CB C 13 39.425 0.300 . 1 . . . . 58 ASN CB . 11345 1 692 . 1 1 58 58 ASN N N 15 118.854 0.300 . 1 . . . . 58 ASN N . 11345 1 693 . 1 1 58 58 ASN ND2 N 15 113.503 0.300 . 1 . . . . 58 ASN ND2 . 11345 1 694 . 1 1 59 59 LEU H H 1 8.134 0.030 . 1 . . . . 59 LEU H . 11345 1 695 . 1 1 59 59 LEU HA H 1 4.596 0.030 . 1 . . . . 59 LEU HA . 11345 1 696 . 1 1 59 59 LEU HB2 H 1 1.798 0.030 . 2 . . . . 59 LEU HB2 . 11345 1 697 . 1 1 59 59 LEU HB3 H 1 1.262 0.030 . 2 . . . . 59 LEU HB3 . 11345 1 698 . 1 1 59 59 LEU HD11 H 1 0.882 0.030 . 1 . . . . 59 LEU HD1 . 11345 1 699 . 1 1 59 59 LEU HD12 H 1 0.882 0.030 . 1 . . . . 59 LEU HD1 . 11345 1 700 . 1 1 59 59 LEU HD13 H 1 0.882 0.030 . 1 . . . . 59 LEU HD1 . 11345 1 701 . 1 1 59 59 LEU HD21 H 1 0.760 0.030 . 1 . . . . 59 LEU HD2 . 11345 1 702 . 1 1 59 59 LEU HD22 H 1 0.760 0.030 . 1 . . . . 59 LEU HD2 . 11345 1 703 . 1 1 59 59 LEU HD23 H 1 0.760 0.030 . 1 . . . . 59 LEU HD2 . 11345 1 704 . 1 1 59 59 LEU HG H 1 1.701 0.030 . 1 . . . . 59 LEU HG . 11345 1 705 . 1 1 59 59 LEU C C 13 174.693 0.300 . 1 . . . . 59 LEU C . 11345 1 706 . 1 1 59 59 LEU CA C 13 54.444 0.300 . 1 . . . . 59 LEU CA . 11345 1 707 . 1 1 59 59 LEU CB C 13 45.165 0.300 . 1 . . . . 59 LEU CB . 11345 1 708 . 1 1 59 59 LEU CD1 C 13 25.075 0.300 . 2 . . . . 59 LEU CD1 . 11345 1 709 . 1 1 59 59 LEU CD2 C 13 26.485 0.300 . 2 . . . . 59 LEU CD2 . 11345 1 710 . 1 1 59 59 LEU CG C 13 26.980 0.300 . 1 . . . . 59 LEU CG . 11345 1 711 . 1 1 59 59 LEU N N 15 125.402 0.300 . 1 . . . . 59 LEU N . 11345 1 712 . 1 1 60 60 SER H H 1 8.705 0.030 . 1 . . . . 60 SER H . 11345 1 713 . 1 1 60 60 SER HA H 1 4.659 0.030 . 1 . . . . 60 SER HA . 11345 1 714 . 1 1 60 60 SER HB2 H 1 4.315 0.030 . 2 . . . . 60 SER HB2 . 11345 1 715 . 1 1 60 60 SER HB3 H 1 4.022 0.030 . 2 . . . . 60 SER HB3 . 11345 1 716 . 1 1 60 60 SER C C 13 174.430 0.300 . 1 . . . . 60 SER C . 11345 1 717 . 1 1 60 60 SER CA C 13 57.122 0.300 . 1 . . . . 60 SER CA . 11345 1 718 . 1 1 60 60 SER CB C 13 65.327 0.300 . 1 . . . . 60 SER CB . 11345 1 719 . 1 1 60 60 SER N N 15 124.392 0.300 . 1 . . . . 60 SER N . 11345 1 720 . 1 1 61 61 LYS H H 1 8.787 0.030 . 1 . . . . 61 LYS H . 11345 1 721 . 1 1 61 61 LYS HA H 1 2.950 0.030 . 1 . . . . 61 LYS HA . 11345 1 722 . 1 1 61 61 LYS HB2 H 1 1.477 0.030 . 2 . . . . 61 LYS HB2 . 11345 1 723 . 1 1 61 61 LYS HB3 H 1 1.105 0.030 . 2 . . . . 61 LYS HB3 . 11345 1 724 . 1 1 61 61 LYS HD2 H 1 1.466 0.030 . 2 . . . . 61 LYS HD2 . 11345 1 725 . 1 1 61 61 LYS HD3 H 1 1.403 0.030 . 2 . . . . 61 LYS HD3 . 11345 1 726 . 1 1 61 61 LYS HE2 H 1 2.841 0.030 . 2 . . . . 61 LYS HE2 . 11345 1 727 . 1 1 61 61 LYS HE3 H 1 2.776 0.030 . 2 . . . . 61 LYS HE3 . 11345 1 728 . 1 1 61 61 LYS HG2 H 1 0.755 0.030 . 2 . . . . 61 LYS HG2 . 11345 1 729 . 1 1 61 61 LYS HG3 H 1 0.621 0.030 . 2 . . . . 61 LYS HG3 . 11345 1 730 . 1 1 61 61 LYS C C 13 179.228 0.300 . 1 . . . . 61 LYS C . 11345 1 731 . 1 1 61 61 LYS CA C 13 60.828 0.300 . 1 . . . . 61 LYS CA . 11345 1 732 . 1 1 61 61 LYS CB C 13 32.249 0.300 . 1 . . . . 61 LYS CB . 11345 1 733 . 1 1 61 61 LYS CD C 13 29.616 0.300 . 1 . . . . 61 LYS CD . 11345 1 734 . 1 1 61 61 LYS CE C 13 42.152 0.300 . 1 . . . . 61 LYS CE . 11345 1 735 . 1 1 61 61 LYS CG C 13 25.642 0.300 . 1 . . . . 61 LYS CG . 11345 1 736 . 1 1 61 61 LYS N N 15 123.693 0.300 . 1 . . . . 61 LYS N . 11345 1 737 . 1 1 62 62 SER H H 1 8.291 0.030 . 1 . . . . 62 SER H . 11345 1 738 . 1 1 62 62 SER HA H 1 3.927 0.030 . 1 . . . . 62 SER HA . 11345 1 739 . 1 1 62 62 SER HB2 H 1 3.847 0.030 . 2 . . . . 62 SER HB2 . 11345 1 740 . 1 1 62 62 SER HB3 H 1 3.780 0.030 . 2 . . . . 62 SER HB3 . 11345 1 741 . 1 1 62 62 SER C C 13 176.784 0.300 . 1 . . . . 62 SER C . 11345 1 742 . 1 1 62 62 SER CA C 13 61.193 0.300 . 1 . . . . 62 SER CA . 11345 1 743 . 1 1 62 62 SER CB C 13 62.156 0.300 . 1 . . . . 62 SER CB . 11345 1 744 . 1 1 62 62 SER N N 15 113.595 0.300 . 1 . . . . 62 SER N . 11345 1 745 . 1 1 63 63 ALA H H 1 7.916 0.030 . 1 . . . . 63 ALA H . 11345 1 746 . 1 1 63 63 ALA HA H 1 4.140 0.030 . 1 . . . . 63 ALA HA . 11345 1 747 . 1 1 63 63 ALA HB1 H 1 1.502 0.030 . 1 . . . . 63 ALA HB . 11345 1 748 . 1 1 63 63 ALA HB2 H 1 1.502 0.030 . 1 . . . . 63 ALA HB . 11345 1 749 . 1 1 63 63 ALA HB3 H 1 1.502 0.030 . 1 . . . . 63 ALA HB . 11345 1 750 . 1 1 63 63 ALA C C 13 180.733 0.300 . 1 . . . . 63 ALA C . 11345 1 751 . 1 1 63 63 ALA CA C 13 54.796 0.300 . 1 . . . . 63 ALA CA . 11345 1 752 . 1 1 63 63 ALA CB C 13 18.576 0.300 . 1 . . . . 63 ALA CB . 11345 1 753 . 1 1 63 63 ALA N N 15 125.776 0.300 . 1 . . . . 63 ALA N . 11345 1 754 . 1 1 64 64 CYS H H 1 8.333 0.030 . 1 . . . . 64 CYS H . 11345 1 755 . 1 1 64 64 CYS HA H 1 3.903 0.030 . 1 . . . . 64 CYS HA . 11345 1 756 . 1 1 64 64 CYS HB2 H 1 3.119 0.030 . 2 . . . . 64 CYS HB2 . 11345 1 757 . 1 1 64 64 CYS HB3 H 1 2.858 0.030 . 2 . . . . 64 CYS HB3 . 11345 1 758 . 1 1 64 64 CYS C C 13 175.341 0.300 . 1 . . . . 64 CYS C . 11345 1 759 . 1 1 64 64 CYS CA C 13 62.920 0.300 . 1 . . . . 64 CYS CA . 11345 1 760 . 1 1 64 64 CYS CB C 13 26.564 0.300 . 1 . . . . 64 CYS CB . 11345 1 761 . 1 1 64 64 CYS N N 15 119.920 0.300 . 1 . . . . 64 CYS N . 11345 1 762 . 1 1 65 65 ARG H H 1 7.739 0.030 . 1 . . . . 65 ARG H . 11345 1 763 . 1 1 65 65 ARG HA H 1 3.880 0.030 . 1 . . . . 65 ARG HA . 11345 1 764 . 1 1 65 65 ARG HB2 H 1 2.125 0.030 . 2 . . . . 65 ARG HB2 . 11345 1 765 . 1 1 65 65 ARG HB3 H 1 1.838 0.030 . 2 . . . . 65 ARG HB3 . 11345 1 766 . 1 1 65 65 ARG HD2 H 1 3.479 0.030 . 2 . . . . 65 ARG HD2 . 11345 1 767 . 1 1 65 65 ARG HD3 H 1 3.113 0.030 . 2 . . . . 65 ARG HD3 . 11345 1 768 . 1 1 65 65 ARG HG2 H 1 1.906 0.030 . 2 . . . . 65 ARG HG2 . 11345 1 769 . 1 1 65 65 ARG HG3 H 1 1.464 0.030 . 2 . . . . 65 ARG HG3 . 11345 1 770 . 1 1 65 65 ARG C C 13 179.419 0.300 . 1 . . . . 65 ARG C . 11345 1 771 . 1 1 65 65 ARG CA C 13 60.276 0.300 . 1 . . . . 65 ARG CA . 11345 1 772 . 1 1 65 65 ARG CB C 13 30.766 0.300 . 1 . . . . 65 ARG CB . 11345 1 773 . 1 1 65 65 ARG CD C 13 44.525 0.300 . 1 . . . . 65 ARG CD . 11345 1 774 . 1 1 65 65 ARG CG C 13 28.985 0.300 . 1 . . . . 65 ARG CG . 11345 1 775 . 1 1 65 65 ARG N N 15 117.738 0.300 . 1 . . . . 65 ARG N . 11345 1 776 . 1 1 66 66 GLU H H 1 7.457 0.030 . 1 . . . . 66 GLU H . 11345 1 777 . 1 1 66 66 GLU HA H 1 4.053 0.030 . 1 . . . . 66 GLU HA . 11345 1 778 . 1 1 66 66 GLU HB2 H 1 2.043 0.030 . 2 . . . . 66 GLU HB2 . 11345 1 779 . 1 1 66 66 GLU HB3 H 1 2.016 0.030 . 2 . . . . 66 GLU HB3 . 11345 1 780 . 1 1 66 66 GLU HG2 H 1 2.368 0.030 . 2 . . . . 66 GLU HG2 . 11345 1 781 . 1 1 66 66 GLU HG3 H 1 2.255 0.030 . 2 . . . . 66 GLU HG3 . 11345 1 782 . 1 1 66 66 GLU C C 13 177.349 0.300 . 1 . . . . 66 GLU C . 11345 1 783 . 1 1 66 66 GLU CA C 13 58.355 0.300 . 1 . . . . 66 GLU CA . 11345 1 784 . 1 1 66 66 GLU CB C 13 29.818 0.300 . 1 . . . . 66 GLU CB . 11345 1 785 . 1 1 66 66 GLU CG C 13 36.286 0.300 . 1 . . . . 66 GLU CG . 11345 1 786 . 1 1 66 66 GLU N N 15 117.032 0.300 . 1 . . . . 66 GLU N . 11345 1 787 . 1 1 67 67 LEU H H 1 7.846 0.030 . 1 . . . . 67 LEU H . 11345 1 788 . 1 1 67 67 LEU HA H 1 4.085 0.030 . 1 . . . . 67 LEU HA . 11345 1 789 . 1 1 67 67 LEU HB2 H 1 1.896 0.030 . 2 . . . . 67 LEU HB2 . 11345 1 790 . 1 1 67 67 LEU HB3 H 1 1.599 0.030 . 2 . . . . 67 LEU HB3 . 11345 1 791 . 1 1 67 67 LEU HD11 H 1 0.807 0.030 . 1 . . . . 67 LEU HD1 . 11345 1 792 . 1 1 67 67 LEU HD12 H 1 0.807 0.030 . 1 . . . . 67 LEU HD1 . 11345 1 793 . 1 1 67 67 LEU HD13 H 1 0.807 0.030 . 1 . . . . 67 LEU HD1 . 11345 1 794 . 1 1 67 67 LEU HD21 H 1 0.801 0.030 . 1 . . . . 67 LEU HD2 . 11345 1 795 . 1 1 67 67 LEU HD22 H 1 0.801 0.030 . 1 . . . . 67 LEU HD2 . 11345 1 796 . 1 1 67 67 LEU HD23 H 1 0.801 0.030 . 1 . . . . 67 LEU HD2 . 11345 1 797 . 1 1 67 67 LEU HG H 1 1.396 0.030 . 1 . . . . 67 LEU HG . 11345 1 798 . 1 1 67 67 LEU C C 13 178.071 0.300 . 1 . . . . 67 LEU C . 11345 1 799 . 1 1 67 67 LEU CA C 13 56.928 0.300 . 1 . . . . 67 LEU CA . 11345 1 800 . 1 1 67 67 LEU CB C 13 43.948 0.300 . 1 . . . . 67 LEU CB . 11345 1 801 . 1 1 67 67 LEU CD1 C 13 25.918 0.300 . 2 . . . . 67 LEU CD1 . 11345 1 802 . 1 1 67 67 LEU CD2 C 13 23.226 0.300 . 2 . . . . 67 LEU CD2 . 11345 1 803 . 1 1 67 67 LEU CG C 13 26.616 0.300 . 1 . . . . 67 LEU CG . 11345 1 804 . 1 1 67 67 LEU N N 15 119.830 0.300 . 1 . . . . 67 LEU N . 11345 1 805 . 1 1 68 68 LEU H H 1 7.984 0.030 . 1 . . . . 68 LEU H . 11345 1 806 . 1 1 68 68 LEU HA H 1 4.106 0.030 . 1 . . . . 68 LEU HA . 11345 1 807 . 1 1 68 68 LEU HB2 H 1 1.881 0.030 . 2 . . . . 68 LEU HB2 . 11345 1 808 . 1 1 68 68 LEU HB3 H 1 1.290 0.030 . 2 . . . . 68 LEU HB3 . 11345 1 809 . 1 1 68 68 LEU HD11 H 1 0.835 0.030 . 1 . . . . 68 LEU HD1 . 11345 1 810 . 1 1 68 68 LEU HD12 H 1 0.835 0.030 . 1 . . . . 68 LEU HD1 . 11345 1 811 . 1 1 68 68 LEU HD13 H 1 0.835 0.030 . 1 . . . . 68 LEU HD1 . 11345 1 812 . 1 1 68 68 LEU HD21 H 1 0.743 0.030 . 1 . . . . 68 LEU HD2 . 11345 1 813 . 1 1 68 68 LEU HD22 H 1 0.743 0.030 . 1 . . . . 68 LEU HD2 . 11345 1 814 . 1 1 68 68 LEU HD23 H 1 0.743 0.030 . 1 . . . . 68 LEU HD2 . 11345 1 815 . 1 1 68 68 LEU HG H 1 2.105 0.030 . 1 . . . . 68 LEU HG . 11345 1 816 . 1 1 68 68 LEU C C 13 176.943 0.300 . 1 . . . . 68 LEU C . 11345 1 817 . 1 1 68 68 LEU CA C 13 55.764 0.300 . 1 . . . . 68 LEU CA . 11345 1 818 . 1 1 68 68 LEU CB C 13 42.196 0.300 . 1 . . . . 68 LEU CB . 11345 1 819 . 1 1 68 68 LEU CD1 C 13 26.068 0.300 . 2 . . . . 68 LEU CD1 . 11345 1 820 . 1 1 68 68 LEU CD2 C 13 21.691 0.300 . 2 . . . . 68 LEU CD2 . 11345 1 821 . 1 1 68 68 LEU CG C 13 26.108 0.300 . 1 . . . . 68 LEU CG . 11345 1 822 . 1 1 68 68 LEU N N 15 113.879 0.300 . 1 . . . . 68 LEU N . 11345 1 823 . 1 1 69 69 ASN H H 1 7.995 0.030 . 1 . . . . 69 ASN H . 11345 1 824 . 1 1 69 69 ASN HA H 1 4.536 0.030 . 1 . . . . 69 ASN HA . 11345 1 825 . 1 1 69 69 ASN HB2 H 1 3.100 0.030 . 2 . . . . 69 ASN HB2 . 11345 1 826 . 1 1 69 69 ASN HB3 H 1 2.513 0.030 . 2 . . . . 69 ASN HB3 . 11345 1 827 . 1 1 69 69 ASN HD21 H 1 7.503 0.030 . 2 . . . . 69 ASN HD21 . 11345 1 828 . 1 1 69 69 ASN HD22 H 1 6.735 0.030 . 2 . . . . 69 ASN HD22 . 11345 1 829 . 1 1 69 69 ASN CA C 13 53.690 0.300 . 1 . . . . 69 ASN CA . 11345 1 830 . 1 1 69 69 ASN CB C 13 37.341 0.300 . 1 . . . . 69 ASN CB . 11345 1 831 . 1 1 69 69 ASN ND2 N 15 111.458 0.300 . 1 . . . . 69 ASN ND2 . 11345 1 832 . 1 1 70 70 ILE H H 1 7.784 0.030 . 1 . . . . 70 ILE H . 11345 1 833 . 1 1 70 70 ILE HA H 1 4.684 0.030 . 1 . . . . 70 ILE HA . 11345 1 834 . 1 1 70 70 ILE HB H 1 2.019 0.030 . 1 . . . . 70 ILE HB . 11345 1 835 . 1 1 70 70 ILE HD11 H 1 0.726 0.030 . 1 . . . . 70 ILE HD1 . 11345 1 836 . 1 1 70 70 ILE HD12 H 1 0.726 0.030 . 1 . . . . 70 ILE HD1 . 11345 1 837 . 1 1 70 70 ILE HD13 H 1 0.726 0.030 . 1 . . . . 70 ILE HD1 . 11345 1 838 . 1 1 70 70 ILE HG12 H 1 1.523 0.030 . 2 . . . . 70 ILE HG12 . 11345 1 839 . 1 1 70 70 ILE HG13 H 1 0.896 0.030 . 2 . . . . 70 ILE HG13 . 11345 1 840 . 1 1 70 70 ILE HG21 H 1 0.857 0.030 . 1 . . . . 70 ILE HG2 . 11345 1 841 . 1 1 70 70 ILE HG22 H 1 0.857 0.030 . 1 . . . . 70 ILE HG2 . 11345 1 842 . 1 1 70 70 ILE HG23 H 1 0.857 0.030 . 1 . . . . 70 ILE HG2 . 11345 1 843 . 1 1 70 70 ILE CA C 13 59.190 0.300 . 1 . . . . 70 ILE CA . 11345 1 844 . 1 1 70 70 ILE CB C 13 42.191 0.300 . 1 . . . . 70 ILE CB . 11345 1 845 . 1 1 70 70 ILE CD1 C 13 14.659 0.300 . 1 . . . . 70 ILE CD1 . 11345 1 846 . 1 1 70 70 ILE CG1 C 13 25.137 0.300 . 1 . . . . 70 ILE CG1 . 11345 1 847 . 1 1 70 70 ILE CG2 C 13 17.261 0.300 . 1 . . . . 70 ILE CG2 . 11345 1 848 . 1 1 70 70 ILE N N 15 112.274 0.300 . 1 . . . . 70 ILE N . 11345 1 849 . 1 1 71 71 ASP H H 1 8.228 0.030 . 1 . . . . 71 ASP H . 11345 1 850 . 1 1 71 71 ASP HA H 1 4.684 0.030 . 1 . . . . 71 ASP HA . 11345 1 851 . 1 1 71 71 ASP HB2 H 1 2.815 0.030 . 2 . . . . 71 ASP HB2 . 11345 1 852 . 1 1 71 71 ASP HB3 H 1 2.509 0.030 . 2 . . . . 71 ASP HB3 . 11345 1 853 . 1 1 71 71 ASP CA C 13 52.917 0.300 . 1 . . . . 71 ASP CA . 11345 1 854 . 1 1 71 71 ASP CB C 13 42.423 0.300 . 1 . . . . 71 ASP CB . 11345 1 855 . 1 1 71 71 ASP N N 15 122.608 0.300 . 1 . . . . 71 ASP N . 11345 1 856 . 1 1 72 72 PRO HA H 1 4.172 0.030 . 1 . . . . 72 PRO HA . 11345 1 857 . 1 1 72 72 PRO HB2 H 1 2.296 0.030 . 2 . . . . 72 PRO HB2 . 11345 1 858 . 1 1 72 72 PRO HB3 H 1 2.005 0.030 . 2 . . . . 72 PRO HB3 . 11345 1 859 . 1 1 72 72 PRO HD2 H 1 3.983 0.030 . 2 . . . . 72 PRO HD2 . 11345 1 860 . 1 1 72 72 PRO HD3 H 1 3.839 0.030 . 2 . . . . 72 PRO HD3 . 11345 1 861 . 1 1 72 72 PRO HG2 H 1 2.108 0.030 . 1 . . . . 72 PRO HG2 . 11345 1 862 . 1 1 72 72 PRO HG3 H 1 2.108 0.030 . 1 . . . . 72 PRO HG3 . 11345 1 863 . 1 1 72 72 PRO C C 13 177.739 0.300 . 1 . . . . 72 PRO C . 11345 1 864 . 1 1 72 72 PRO CA C 13 65.536 0.300 . 1 . . . . 72 PRO CA . 11345 1 865 . 1 1 72 72 PRO CB C 13 32.544 0.300 . 1 . . . . 72 PRO CB . 11345 1 866 . 1 1 72 72 PRO CD C 13 51.116 0.300 . 1 . . . . 72 PRO CD . 11345 1 867 . 1 1 72 72 PRO CG C 13 27.553 0.300 . 1 . . . . 72 PRO CG . 11345 1 868 . 1 1 73 73 ILE H H 1 8.057 0.030 . 1 . . . . 73 ILE H . 11345 1 869 . 1 1 73 73 ILE HA H 1 3.822 0.030 . 1 . . . . 73 ILE HA . 11345 1 870 . 1 1 73 73 ILE HB H 1 2.007 0.030 . 1 . . . . 73 ILE HB . 11345 1 871 . 1 1 73 73 ILE HD11 H 1 0.890 0.030 . 1 . . . . 73 ILE HD1 . 11345 1 872 . 1 1 73 73 ILE HD12 H 1 0.890 0.030 . 1 . . . . 73 ILE HD1 . 11345 1 873 . 1 1 73 73 ILE HD13 H 1 0.890 0.030 . 1 . . . . 73 ILE HD1 . 11345 1 874 . 1 1 73 73 ILE HG12 H 1 1.587 0.030 . 2 . . . . 73 ILE HG12 . 11345 1 875 . 1 1 73 73 ILE HG13 H 1 1.336 0.030 . 2 . . . . 73 ILE HG13 . 11345 1 876 . 1 1 73 73 ILE HG21 H 1 0.905 0.030 . 1 . . . . 73 ILE HG2 . 11345 1 877 . 1 1 73 73 ILE HG22 H 1 0.905 0.030 . 1 . . . . 73 ILE HG2 . 11345 1 878 . 1 1 73 73 ILE HG23 H 1 0.905 0.030 . 1 . . . . 73 ILE HG2 . 11345 1 879 . 1 1 73 73 ILE C C 13 179.705 0.300 . 1 . . . . 73 ILE C . 11345 1 880 . 1 1 73 73 ILE CA C 13 64.247 0.300 . 1 . . . . 73 ILE CA . 11345 1 881 . 1 1 73 73 ILE CB C 13 36.927 0.300 . 1 . . . . 73 ILE CB . 11345 1 882 . 1 1 73 73 ILE CD1 C 13 12.141 0.300 . 1 . . . . 73 ILE CD1 . 11345 1 883 . 1 1 73 73 ILE CG1 C 13 28.960 0.300 . 1 . . . . 73 ILE CG1 . 11345 1 884 . 1 1 73 73 ILE CG2 C 13 17.419 0.300 . 1 . . . . 73 ILE CG2 . 11345 1 885 . 1 1 73 73 ILE N N 15 116.869 0.300 . 1 . . . . 73 ILE N . 11345 1 886 . 1 1 74 74 LYS H H 1 7.546 0.030 . 1 . . . . 74 LYS H . 11345 1 887 . 1 1 74 74 LYS HA H 1 4.015 0.030 . 1 . . . . 74 LYS HA . 11345 1 888 . 1 1 74 74 LYS HB2 H 1 2.114 0.030 . 2 . . . . 74 LYS HB2 . 11345 1 889 . 1 1 74 74 LYS HB3 H 1 1.660 0.030 . 2 . . . . 74 LYS HB3 . 11345 1 890 . 1 1 74 74 LYS HD2 H 1 1.723 0.030 . 1 . . . . 74 LYS HD2 . 11345 1 891 . 1 1 74 74 LYS HD3 H 1 1.723 0.030 . 1 . . . . 74 LYS HD3 . 11345 1 892 . 1 1 74 74 LYS HE2 H 1 3.126 0.030 . 2 . . . . 74 LYS HE2 . 11345 1 893 . 1 1 74 74 LYS HE3 H 1 3.076 0.030 . 2 . . . . 74 LYS HE3 . 11345 1 894 . 1 1 74 74 LYS HG2 H 1 1.680 0.030 . 2 . . . . 74 LYS HG2 . 11345 1 895 . 1 1 74 74 LYS HG3 H 1 1.415 0.030 . 2 . . . . 74 LYS HG3 . 11345 1 896 . 1 1 74 74 LYS C C 13 178.145 0.300 . 1 . . . . 74 LYS C . 11345 1 897 . 1 1 74 74 LYS CA C 13 59.871 0.300 . 1 . . . . 74 LYS CA . 11345 1 898 . 1 1 74 74 LYS CB C 13 32.949 0.300 . 1 . . . . 74 LYS CB . 11345 1 899 . 1 1 74 74 LYS CD C 13 30.024 0.300 . 1 . . . . 74 LYS CD . 11345 1 900 . 1 1 74 74 LYS CE C 13 42.603 0.300 . 1 . . . . 74 LYS CE . 11345 1 901 . 1 1 74 74 LYS CG C 13 26.919 0.300 . 1 . . . . 74 LYS CG . 11345 1 902 . 1 1 74 74 LYS N N 15 119.489 0.300 . 1 . . . . 74 LYS N . 11345 1 903 . 1 1 75 75 ALA H H 1 8.274 0.030 . 1 . . . . 75 ALA H . 11345 1 904 . 1 1 75 75 ALA HA H 1 3.804 0.030 . 1 . . . . 75 ALA HA . 11345 1 905 . 1 1 75 75 ALA HB1 H 1 1.458 0.030 . 1 . . . . 75 ALA HB . 11345 1 906 . 1 1 75 75 ALA HB2 H 1 1.458 0.030 . 1 . . . . 75 ALA HB . 11345 1 907 . 1 1 75 75 ALA HB3 H 1 1.458 0.030 . 1 . . . . 75 ALA HB . 11345 1 908 . 1 1 75 75 ALA C C 13 178.722 0.300 . 1 . . . . 75 ALA C . 11345 1 909 . 1 1 75 75 ALA CA C 13 55.958 0.300 . 1 . . . . 75 ALA CA . 11345 1 910 . 1 1 75 75 ALA CB C 13 18.896 0.300 . 1 . . . . 75 ALA CB . 11345 1 911 . 1 1 75 75 ALA N N 15 121.254 0.300 . 1 . . . . 75 ALA N . 11345 1 912 . 1 1 76 76 ASN H H 1 8.382 0.030 . 1 . . . . 76 ASN H . 11345 1 913 . 1 1 76 76 ASN HA H 1 4.306 0.030 . 1 . . . . 76 ASN HA . 11345 1 914 . 1 1 76 76 ASN HB2 H 1 3.011 0.030 . 2 . . . . 76 ASN HB2 . 11345 1 915 . 1 1 76 76 ASN HB3 H 1 2.942 0.030 . 2 . . . . 76 ASN HB3 . 11345 1 916 . 1 1 76 76 ASN HD21 H 1 7.364 0.030 . 2 . . . . 76 ASN HD21 . 11345 1 917 . 1 1 76 76 ASN HD22 H 1 6.712 0.030 . 2 . . . . 76 ASN HD22 . 11345 1 918 . 1 1 76 76 ASN C C 13 177.395 0.300 . 1 . . . . 76 ASN C . 11345 1 919 . 1 1 76 76 ASN CA C 13 55.500 0.300 . 1 . . . . 76 ASN CA . 11345 1 920 . 1 1 76 76 ASN CB C 13 37.523 0.300 . 1 . . . . 76 ASN CB . 11345 1 921 . 1 1 76 76 ASN N N 15 115.957 0.300 . 1 . . . . 76 ASN N . 11345 1 922 . 1 1 76 76 ASN ND2 N 15 107.952 0.300 . 1 . . . . 76 ASN ND2 . 11345 1 923 . 1 1 77 77 ARG H H 1 7.571 0.030 . 1 . . . . 77 ARG H . 11345 1 924 . 1 1 77 77 ARG HA H 1 4.352 0.030 . 1 . . . . 77 ARG HA . 11345 1 925 . 1 1 77 77 ARG HB2 H 1 2.105 0.030 . 2 . . . . 77 ARG HB2 . 11345 1 926 . 1 1 77 77 ARG HB3 H 1 2.017 0.030 . 2 . . . . 77 ARG HB3 . 11345 1 927 . 1 1 77 77 ARG HD2 H 1 3.399 0.030 . 2 . . . . 77 ARG HD2 . 11345 1 928 . 1 1 77 77 ARG HD3 H 1 3.207 0.030 . 2 . . . . 77 ARG HD3 . 11345 1 929 . 1 1 77 77 ARG HG2 H 1 1.845 0.030 . 2 . . . . 77 ARG HG2 . 11345 1 930 . 1 1 77 77 ARG HG3 H 1 1.731 0.030 . 2 . . . . 77 ARG HG3 . 11345 1 931 . 1 1 77 77 ARG C C 13 179.729 0.300 . 1 . . . . 77 ARG C . 11345 1 932 . 1 1 77 77 ARG CA C 13 58.200 0.300 . 1 . . . . 77 ARG CA . 11345 1 933 . 1 1 77 77 ARG CB C 13 29.613 0.300 . 1 . . . . 77 ARG CB . 11345 1 934 . 1 1 77 77 ARG CD C 13 42.494 0.300 . 1 . . . . 77 ARG CD . 11345 1 935 . 1 1 77 77 ARG CG C 13 27.353 0.300 . 1 . . . . 77 ARG CG . 11345 1 936 . 1 1 77 77 ARG N N 15 118.412 0.300 . 1 . . . . 77 ARG N . 11345 1 937 . 1 1 78 78 ILE H H 1 8.403 0.030 . 1 . . . . 78 ILE H . 11345 1 938 . 1 1 78 78 ILE HA H 1 3.832 0.030 . 1 . . . . 78 ILE HA . 11345 1 939 . 1 1 78 78 ILE HB H 1 1.997 0.030 . 1 . . . . 78 ILE HB . 11345 1 940 . 1 1 78 78 ILE HD11 H 1 0.793 0.030 . 1 . . . . 78 ILE HD1 . 11345 1 941 . 1 1 78 78 ILE HD12 H 1 0.793 0.030 . 1 . . . . 78 ILE HD1 . 11345 1 942 . 1 1 78 78 ILE HD13 H 1 0.793 0.030 . 1 . . . . 78 ILE HD1 . 11345 1 943 . 1 1 78 78 ILE HG12 H 1 1.879 0.030 . 2 . . . . 78 ILE HG12 . 11345 1 944 . 1 1 78 78 ILE HG13 H 1 1.014 0.030 . 2 . . . . 78 ILE HG13 . 11345 1 945 . 1 1 78 78 ILE HG21 H 1 0.914 0.030 . 1 . . . . 78 ILE HG2 . 11345 1 946 . 1 1 78 78 ILE HG22 H 1 0.914 0.030 . 1 . . . . 78 ILE HG2 . 11345 1 947 . 1 1 78 78 ILE HG23 H 1 0.914 0.030 . 1 . . . . 78 ILE HG2 . 11345 1 948 . 1 1 78 78 ILE C C 13 177.221 0.300 . 1 . . . . 78 ILE C . 11345 1 949 . 1 1 78 78 ILE CA C 13 66.213 0.300 . 1 . . . . 78 ILE CA . 11345 1 950 . 1 1 78 78 ILE CB C 13 37.504 0.300 . 1 . . . . 78 ILE CB . 11345 1 951 . 1 1 78 78 ILE CD1 C 13 13.379 0.300 . 1 . . . . 78 ILE CD1 . 11345 1 952 . 1 1 78 78 ILE CG1 C 13 30.545 0.300 . 1 . . . . 78 ILE CG1 . 11345 1 953 . 1 1 78 78 ILE CG2 C 13 17.419 0.300 . 1 . . . . 78 ILE CG2 . 11345 1 954 . 1 1 78 78 ILE N N 15 123.167 0.300 . 1 . . . . 78 ILE N . 11345 1 955 . 1 1 79 79 TYR H H 1 8.648 0.030 . 1 . . . . 79 TYR H . 11345 1 956 . 1 1 79 79 TYR HA H 1 3.728 0.030 . 1 . . . . 79 TYR HA . 11345 1 957 . 1 1 79 79 TYR HB2 H 1 3.385 0.030 . 1 . . . . 79 TYR HB2 . 11345 1 958 . 1 1 79 79 TYR HB3 H 1 3.385 0.030 . 1 . . . . 79 TYR HB3 . 11345 1 959 . 1 1 79 79 TYR HD1 H 1 7.113 0.030 . 1 . . . . 79 TYR HD1 . 11345 1 960 . 1 1 79 79 TYR HD2 H 1 7.113 0.030 . 1 . . . . 79 TYR HD2 . 11345 1 961 . 1 1 79 79 TYR HE1 H 1 6.659 0.030 . 1 . . . . 79 TYR HE1 . 11345 1 962 . 1 1 79 79 TYR HE2 H 1 6.659 0.030 . 1 . . . . 79 TYR HE2 . 11345 1 963 . 1 1 79 79 TYR C C 13 177.489 0.300 . 1 . . . . 79 TYR C . 11345 1 964 . 1 1 79 79 TYR CA C 13 63.272 0.300 . 1 . . . . 79 TYR CA . 11345 1 965 . 1 1 79 79 TYR CB C 13 37.951 0.300 . 1 . . . . 79 TYR CB . 11345 1 966 . 1 1 79 79 TYR CD1 C 13 133.200 0.300 . 1 . . . . 79 TYR CD1 . 11345 1 967 . 1 1 79 79 TYR CD2 C 13 133.200 0.300 . 1 . . . . 79 TYR CD2 . 11345 1 968 . 1 1 79 79 TYR CE1 C 13 117.916 0.300 . 1 . . . . 79 TYR CE1 . 11345 1 969 . 1 1 79 79 TYR CE2 C 13 117.916 0.300 . 1 . . . . 79 TYR CE2 . 11345 1 970 . 1 1 79 79 TYR N N 15 122.877 0.300 . 1 . . . . 79 TYR N . 11345 1 971 . 1 1 80 80 ASP H H 1 8.423 0.030 . 1 . . . . 80 ASP H . 11345 1 972 . 1 1 80 80 ASP HA H 1 4.471 0.030 . 1 . . . . 80 ASP HA . 11345 1 973 . 1 1 80 80 ASP HB2 H 1 2.920 0.030 . 2 . . . . 80 ASP HB2 . 11345 1 974 . 1 1 80 80 ASP HB3 H 1 2.836 0.030 . 2 . . . . 80 ASP HB3 . 11345 1 975 . 1 1 80 80 ASP C C 13 179.232 0.300 . 1 . . . . 80 ASP C . 11345 1 976 . 1 1 80 80 ASP CA C 13 57.368 0.300 . 1 . . . . 80 ASP CA . 11345 1 977 . 1 1 80 80 ASP CB C 13 40.158 0.300 . 1 . . . . 80 ASP CB . 11345 1 978 . 1 1 80 80 ASP N N 15 118.436 0.300 . 1 . . . . 80 ASP N . 11345 1 979 . 1 1 81 81 PHE H H 1 8.701 0.030 . 1 . . . . 81 PHE H . 11345 1 980 . 1 1 81 81 PHE HA H 1 4.306 0.030 . 1 . . . . 81 PHE HA . 11345 1 981 . 1 1 81 81 PHE HB2 H 1 3.539 0.030 . 2 . . . . 81 PHE HB2 . 11345 1 982 . 1 1 81 81 PHE HB3 H 1 3.254 0.030 . 2 . . . . 81 PHE HB3 . 11345 1 983 . 1 1 81 81 PHE HD1 H 1 7.133 0.030 . 1 . . . . 81 PHE HD1 . 11345 1 984 . 1 1 81 81 PHE HD2 H 1 7.133 0.030 . 1 . . . . 81 PHE HD2 . 11345 1 985 . 1 1 81 81 PHE HE1 H 1 7.209 0.030 . 1 . . . . 81 PHE HE1 . 11345 1 986 . 1 1 81 81 PHE HE2 H 1 7.209 0.030 . 1 . . . . 81 PHE HE2 . 11345 1 987 . 1 1 81 81 PHE HZ H 1 6.580 0.030 . 1 . . . . 81 PHE HZ . 11345 1 988 . 1 1 81 81 PHE C C 13 177.631 0.300 . 1 . . . . 81 PHE C . 11345 1 989 . 1 1 81 81 PHE CA C 13 61.299 0.300 . 1 . . . . 81 PHE CA . 11345 1 990 . 1 1 81 81 PHE CB C 13 39.648 0.300 . 1 . . . . 81 PHE CB . 11345 1 991 . 1 1 81 81 PHE CD1 C 13 131.961 0.300 . 1 . . . . 81 PHE CD1 . 11345 1 992 . 1 1 81 81 PHE CD2 C 13 131.961 0.300 . 1 . . . . 81 PHE CD2 . 11345 1 993 . 1 1 81 81 PHE CE1 C 13 131.961 0.300 . 1 . . . . 81 PHE CE1 . 11345 1 994 . 1 1 81 81 PHE CE2 C 13 131.961 0.300 . 1 . . . . 81 PHE CE2 . 11345 1 995 . 1 1 81 81 PHE CZ C 13 127.874 0.300 . 1 . . . . 81 PHE CZ . 11345 1 996 . 1 1 81 81 PHE N N 15 123.509 0.300 . 1 . . . . 81 PHE N . 11345 1 997 . 1 1 82 82 PHE H H 1 9.031 0.030 . 1 . . . . 82 PHE H . 11345 1 998 . 1 1 82 82 PHE HA H 1 3.743 0.030 . 1 . . . . 82 PHE HA . 11345 1 999 . 1 1 82 82 PHE HB2 H 1 3.606 0.030 . 2 . . . . 82 PHE HB2 . 11345 1 1000 . 1 1 82 82 PHE HB3 H 1 2.603 0.030 . 2 . . . . 82 PHE HB3 . 11345 1 1001 . 1 1 82 82 PHE HD1 H 1 7.344 0.030 . 1 . . . . 82 PHE HD1 . 11345 1 1002 . 1 1 82 82 PHE HD2 H 1 7.344 0.030 . 1 . . . . 82 PHE HD2 . 11345 1 1003 . 1 1 82 82 PHE HE1 H 1 6.760 0.030 . 1 . . . . 82 PHE HE1 . 11345 1 1004 . 1 1 82 82 PHE HE2 H 1 6.760 0.030 . 1 . . . . 82 PHE HE2 . 11345 1 1005 . 1 1 82 82 PHE HZ H 1 7.235 0.030 . 1 . . . . 82 PHE HZ . 11345 1 1006 . 1 1 82 82 PHE C C 13 178.940 0.300 . 1 . . . . 82 PHE C . 11345 1 1007 . 1 1 82 82 PHE CA C 13 61.815 0.300 . 1 . . . . 82 PHE CA . 11345 1 1008 . 1 1 82 82 PHE CB C 13 39.585 0.300 . 1 . . . . 82 PHE CB . 11345 1 1009 . 1 1 82 82 PHE CD1 C 13 131.246 0.300 . 1 . . . . 82 PHE CD1 . 11345 1 1010 . 1 1 82 82 PHE CD2 C 13 131.246 0.300 . 1 . . . . 82 PHE CD2 . 11345 1 1011 . 1 1 82 82 PHE CE1 C 13 131.390 0.300 . 1 . . . . 82 PHE CE1 . 11345 1 1012 . 1 1 82 82 PHE CE2 C 13 131.390 0.300 . 1 . . . . 82 PHE CE2 . 11345 1 1013 . 1 1 82 82 PHE CZ C 13 131.122 0.300 . 1 . . . . 82 PHE CZ . 11345 1 1014 . 1 1 82 82 PHE N N 15 122.190 0.300 . 1 . . . . 82 PHE N . 11345 1 1015 . 1 1 83 83 GLN H H 1 7.900 0.030 . 1 . . . . 83 GLN H . 11345 1 1016 . 1 1 83 83 GLN HA H 1 4.140 0.030 . 1 . . . . 83 GLN HA . 11345 1 1017 . 1 1 83 83 GLN HB2 H 1 2.196 0.030 . 2 . . . . 83 GLN HB2 . 11345 1 1018 . 1 1 83 83 GLN HB3 H 1 2.126 0.030 . 2 . . . . 83 GLN HB3 . 11345 1 1019 . 1 1 83 83 GLN HE21 H 1 7.315 0.030 . 2 . . . . 83 GLN HE21 . 11345 1 1020 . 1 1 83 83 GLN HE22 H 1 6.951 0.030 . 2 . . . . 83 GLN HE22 . 11345 1 1021 . 1 1 83 83 GLN HG2 H 1 2.404 0.030 . 2 . . . . 83 GLN HG2 . 11345 1 1022 . 1 1 83 83 GLN HG3 H 1 2.127 0.030 . 2 . . . . 83 GLN HG3 . 11345 1 1023 . 1 1 83 83 GLN C C 13 180.153 0.300 . 1 . . . . 83 GLN C . 11345 1 1024 . 1 1 83 83 GLN CA C 13 59.482 0.300 . 1 . . . . 83 GLN CA . 11345 1 1025 . 1 1 83 83 GLN CB C 13 28.501 0.300 . 1 . . . . 83 GLN CB . 11345 1 1026 . 1 1 83 83 GLN CG C 13 34.617 0.300 . 1 . . . . 83 GLN CG . 11345 1 1027 . 1 1 83 83 GLN N N 15 116.460 0.300 . 1 . . . . 83 GLN N . 11345 1 1028 . 1 1 83 83 GLN NE2 N 15 112.648 0.300 . 1 . . . . 83 GLN NE2 . 11345 1 1029 . 1 1 84 84 SER H H 1 8.462 0.030 . 1 . . . . 84 SER H . 11345 1 1030 . 1 1 84 84 SER HA H 1 4.117 0.030 . 1 . . . . 84 SER HA . 11345 1 1031 . 1 1 84 84 SER HB2 H 1 3.876 0.030 . 1 . . . . 84 SER HB2 . 11345 1 1032 . 1 1 84 84 SER HB3 H 1 3.876 0.030 . 1 . . . . 84 SER HB3 . 11345 1 1033 . 1 1 84 84 SER C C 13 175.616 0.300 . 1 . . . . 84 SER C . 11345 1 1034 . 1 1 84 84 SER CA C 13 61.387 0.300 . 1 . . . . 84 SER CA . 11345 1 1035 . 1 1 84 84 SER CB C 13 62.720 0.300 . 1 . . . . 84 SER CB . 11345 1 1036 . 1 1 84 84 SER N N 15 118.343 0.300 . 1 . . . . 84 SER N . 11345 1 1037 . 1 1 85 85 GLN H H 1 7.162 0.030 . 1 . . . . 85 GLN H . 11345 1 1038 . 1 1 85 85 GLN HA H 1 3.486 0.030 . 1 . . . . 85 GLN HA . 11345 1 1039 . 1 1 85 85 GLN HB2 H 1 0.397 0.030 . 2 . . . . 85 GLN HB2 . 11345 1 1040 . 1 1 85 85 GLN HB3 H 1 -0.117 0.030 . 2 . . . . 85 GLN HB3 . 11345 1 1041 . 1 1 85 85 GLN HE21 H 1 7.011 0.030 . 2 . . . . 85 GLN HE21 . 11345 1 1042 . 1 1 85 85 GLN HE22 H 1 5.986 0.030 . 2 . . . . 85 GLN HE22 . 11345 1 1043 . 1 1 85 85 GLN HG2 H 1 0.580 0.030 . 2 . . . . 85 GLN HG2 . 11345 1 1044 . 1 1 85 85 GLN HG3 H 1 -0.249 0.030 . 2 . . . . 85 GLN HG3 . 11345 1 1045 . 1 1 85 85 GLN C C 13 174.660 0.300 . 1 . . . . 85 GLN C . 11345 1 1046 . 1 1 85 85 GLN CA C 13 54.477 0.300 . 1 . . . . 85 GLN CA . 11345 1 1047 . 1 1 85 85 GLN CB C 13 26.976 0.300 . 1 . . . . 85 GLN CB . 11345 1 1048 . 1 1 85 85 GLN CG C 13 32.716 0.300 . 1 . . . . 85 GLN CG . 11345 1 1049 . 1 1 85 85 GLN N N 15 118.261 0.300 . 1 . . . . 85 GLN N . 11345 1 1050 . 1 1 85 85 GLN NE2 N 15 115.902 0.300 . 1 . . . . 85 GLN NE2 . 11345 1 1051 . 1 1 86 86 ASN H H 1 7.811 0.030 . 1 . . . . 86 ASN H . 11345 1 1052 . 1 1 86 86 ASN HA H 1 4.474 0.030 . 1 . . . . 86 ASN HA . 11345 1 1053 . 1 1 86 86 ASN HB2 H 1 3.118 0.030 . 2 . . . . 86 ASN HB2 . 11345 1 1054 . 1 1 86 86 ASN HB3 H 1 2.882 0.030 . 2 . . . . 86 ASN HB3 . 11345 1 1055 . 1 1 86 86 ASN HD21 H 1 7.461 0.030 . 2 . . . . 86 ASN HD21 . 11345 1 1056 . 1 1 86 86 ASN HD22 H 1 6.764 0.030 . 2 . . . . 86 ASN HD22 . 11345 1 1057 . 1 1 86 86 ASN C C 13 175.515 0.300 . 1 . . . . 86 ASN C . 11345 1 1058 . 1 1 86 86 ASN CA C 13 54.675 0.300 . 1 . . . . 86 ASN CA . 11345 1 1059 . 1 1 86 86 ASN CB C 13 36.826 0.300 . 1 . . . . 86 ASN CB . 11345 1 1060 . 1 1 86 86 ASN N N 15 112.557 0.300 . 1 . . . . 86 ASN N . 11345 1 1061 . 1 1 86 86 ASN ND2 N 15 112.401 0.300 . 1 . . . . 86 ASN ND2 . 11345 1 1062 . 1 1 87 87 TRP H H 1 8.014 0.030 . 1 . . . . 87 TRP H . 11345 1 1063 . 1 1 87 87 TRP HA H 1 4.901 0.030 . 1 . . . . 87 TRP HA . 11345 1 1064 . 1 1 87 87 TRP HB2 H 1 3.223 0.030 . 2 . . . . 87 TRP HB2 . 11345 1 1065 . 1 1 87 87 TRP HB3 H 1 2.843 0.030 . 2 . . . . 87 TRP HB3 . 11345 1 1066 . 1 1 87 87 TRP HD1 H 1 6.831 0.030 . 1 . . . . 87 TRP HD1 . 11345 1 1067 . 1 1 87 87 TRP HE1 H 1 9.872 0.030 . 1 . . . . 87 TRP HE1 . 11345 1 1068 . 1 1 87 87 TRP HE3 H 1 5.329 0.030 . 1 . . . . 87 TRP HE3 . 11345 1 1069 . 1 1 87 87 TRP HH2 H 1 7.398 0.030 . 1 . . . . 87 TRP HH2 . 11345 1 1070 . 1 1 87 87 TRP HZ2 H 1 7.435 0.030 . 1 . . . . 87 TRP HZ2 . 11345 1 1071 . 1 1 87 87 TRP HZ3 H 1 6.815 0.030 . 1 . . . . 87 TRP HZ3 . 11345 1 1072 . 1 1 87 87 TRP C C 13 175.124 0.300 . 1 . . . . 87 TRP C . 11345 1 1073 . 1 1 87 87 TRP CA C 13 55.324 0.300 . 1 . . . . 87 TRP CA . 11345 1 1074 . 1 1 87 87 TRP CB C 13 30.699 0.300 . 1 . . . . 87 TRP CB . 11345 1 1075 . 1 1 87 87 TRP CD1 C 13 124.276 0.300 . 1 . . . . 87 TRP CD1 . 11345 1 1076 . 1 1 87 87 TRP CE3 C 13 120.468 0.300 . 1 . . . . 87 TRP CE3 . 11345 1 1077 . 1 1 87 87 TRP CH2 C 13 124.311 0.300 . 1 . . . . 87 TRP CH2 . 11345 1 1078 . 1 1 87 87 TRP CZ2 C 13 114.124 0.300 . 1 . . . . 87 TRP CZ2 . 11345 1 1079 . 1 1 87 87 TRP CZ3 C 13 121.714 0.300 . 1 . . . . 87 TRP CZ3 . 11345 1 1080 . 1 1 87 87 TRP N N 15 117.940 0.300 . 1 . . . . 87 TRP N . 11345 1 1081 . 1 1 87 87 TRP NE1 N 15 127.222 0.300 . 1 . . . . 87 TRP NE1 . 11345 1 1082 . 1 1 88 88 MET H H 1 7.658 0.030 . 1 . . . . 88 MET H . 11345 1 1083 . 1 1 88 88 MET HA H 1 4.295 0.030 . 1 . . . . 88 MET HA . 11345 1 1084 . 1 1 88 88 MET HB2 H 1 2.067 0.030 . 2 . . . . 88 MET HB2 . 11345 1 1085 . 1 1 88 88 MET HB3 H 1 2.014 0.030 . 2 . . . . 88 MET HB3 . 11345 1 1086 . 1 1 88 88 MET HE1 H 1 1.539 0.030 . 1 . . . . 88 MET HE . 11345 1 1087 . 1 1 88 88 MET HE2 H 1 1.539 0.030 . 1 . . . . 88 MET HE . 11345 1 1088 . 1 1 88 88 MET HE3 H 1 1.539 0.030 . 1 . . . . 88 MET HE . 11345 1 1089 . 1 1 88 88 MET HG2 H 1 2.269 0.030 . 1 . . . . 88 MET HG2 . 11345 1 1090 . 1 1 88 88 MET HG3 H 1 2.269 0.030 . 1 . . . . 88 MET HG3 . 11345 1 1091 . 1 1 88 88 MET C C 13 179.152 0.300 . 1 . . . . 88 MET C . 11345 1 1092 . 1 1 88 88 MET CA C 13 56.740 0.300 . 1 . . . . 88 MET CA . 11345 1 1093 . 1 1 88 88 MET CB C 13 34.937 0.300 . 1 . . . . 88 MET CB . 11345 1 1094 . 1 1 88 88 MET CE C 13 17.578 0.300 . 1 . . . . 88 MET CE . 11345 1 1095 . 1 1 88 88 MET CG C 13 32.179 0.300 . 1 . . . . 88 MET CG . 11345 1 1096 . 1 1 88 88 MET N N 15 120.650 0.300 . 1 . . . . 88 MET N . 11345 1 stop_ save_