data_11211 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11211 _Entry.Title ; Solution structure of the third ig-like domain of Myosin-dinding protein C, slow-type ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-22 _Entry.Accession_date 2010-07-23 _Entry.Last_release_date 2011-07-21 _Entry.Original_release_date 2011-07-21 _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 X. Qin . . . 11211 2 C. Kurosaki . . . 11211 3 F. Hayashi . . . 11211 4 M. Yoshida . . . 11211 5 S. Yokoyama . . . 11211 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)' . 11211 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11211 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 423 11211 '15N chemical shifts' 99 11211 '1H chemical shifts' 667 11211 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 . . 2011-07-21 2010-07-22 original author . 11211 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1X44 'BMRB Entry Tracking System' 11211 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11211 _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 third ig-like domain of Myosin-dinding protein C, slow-type ; _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 X. Qin . . . 11211 1 2 C. Kurosaki . . . 11211 1 3 F. Hayashi . . . 11211 1 4 M. Yoshida . . . 11211 1 5 S. Yokoyama . . . 11211 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11211 _Assembly.ID 1 _Assembly.Name 'Myosin-binding protein C, slow-type' _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 'IG-like domain of Myosin-dinding protein C' 1 $entity_1 A . yes native no no . . . 11211 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 1x44 . . . . . . 11211 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11211 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'IG-like domain' _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 ; GSSGSSGIMVTKQLEDTTAY CGERVELECEVSEDDANVKW FKNGEEIIPGPKSRYRIRVE GKKHILIIEGATKADAAEYS VMTTGGQSSAKLSVDLKSGP SSG ; _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 103 _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 1X44 . "Solution Structure Of The Third Ig-Like Domain Of Myosin- Dinding Protein C, Slow-Type" . . . . . 100.00 103 100.00 100.00 3.26e-67 . . . . 11211 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'IG-like domain' . 11211 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 . 11211 1 2 . SER . 11211 1 3 . SER . 11211 1 4 . GLY . 11211 1 5 . SER . 11211 1 6 . SER . 11211 1 7 . GLY . 11211 1 8 . ILE . 11211 1 9 . MET . 11211 1 10 . VAL . 11211 1 11 . THR . 11211 1 12 . LYS . 11211 1 13 . GLN . 11211 1 14 . LEU . 11211 1 15 . GLU . 11211 1 16 . ASP . 11211 1 17 . THR . 11211 1 18 . THR . 11211 1 19 . ALA . 11211 1 20 . TYR . 11211 1 21 . CYS . 11211 1 22 . GLY . 11211 1 23 . GLU . 11211 1 24 . ARG . 11211 1 25 . VAL . 11211 1 26 . GLU . 11211 1 27 . LEU . 11211 1 28 . GLU . 11211 1 29 . CYS . 11211 1 30 . GLU . 11211 1 31 . VAL . 11211 1 32 . SER . 11211 1 33 . GLU . 11211 1 34 . ASP . 11211 1 35 . ASP . 11211 1 36 . ALA . 11211 1 37 . ASN . 11211 1 38 . VAL . 11211 1 39 . LYS . 11211 1 40 . TRP . 11211 1 41 . PHE . 11211 1 42 . LYS . 11211 1 43 . ASN . 11211 1 44 . GLY . 11211 1 45 . GLU . 11211 1 46 . GLU . 11211 1 47 . ILE . 11211 1 48 . ILE . 11211 1 49 . PRO . 11211 1 50 . GLY . 11211 1 51 . PRO . 11211 1 52 . LYS . 11211 1 53 . SER . 11211 1 54 . ARG . 11211 1 55 . TYR . 11211 1 56 . ARG . 11211 1 57 . ILE . 11211 1 58 . ARG . 11211 1 59 . VAL . 11211 1 60 . GLU . 11211 1 61 . GLY . 11211 1 62 . LYS . 11211 1 63 . LYS . 11211 1 64 . HIS . 11211 1 65 . ILE . 11211 1 66 . LEU . 11211 1 67 . ILE . 11211 1 68 . ILE . 11211 1 69 . GLU . 11211 1 70 . GLY . 11211 1 71 . ALA . 11211 1 72 . THR . 11211 1 73 . LYS . 11211 1 74 . ALA . 11211 1 75 . ASP . 11211 1 76 . ALA . 11211 1 77 . ALA . 11211 1 78 . GLU . 11211 1 79 . TYR . 11211 1 80 . SER . 11211 1 81 . VAL . 11211 1 82 . MET . 11211 1 83 . THR . 11211 1 84 . THR . 11211 1 85 . GLY . 11211 1 86 . GLY . 11211 1 87 . GLN . 11211 1 88 . SER . 11211 1 89 . SER . 11211 1 90 . ALA . 11211 1 91 . LYS . 11211 1 92 . LEU . 11211 1 93 . SER . 11211 1 94 . VAL . 11211 1 95 . ASP . 11211 1 96 . LEU . 11211 1 97 . LYS . 11211 1 98 . SER . 11211 1 99 . GLY . 11211 1 100 . PRO . 11211 1 101 . SER . 11211 1 102 . SER . 11211 1 103 . GLY . 11211 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 11211 1 . SER 2 2 11211 1 . SER 3 3 11211 1 . GLY 4 4 11211 1 . SER 5 5 11211 1 . SER 6 6 11211 1 . GLY 7 7 11211 1 . ILE 8 8 11211 1 . MET 9 9 11211 1 . VAL 10 10 11211 1 . THR 11 11 11211 1 . LYS 12 12 11211 1 . GLN 13 13 11211 1 . LEU 14 14 11211 1 . GLU 15 15 11211 1 . ASP 16 16 11211 1 . THR 17 17 11211 1 . THR 18 18 11211 1 . ALA 19 19 11211 1 . TYR 20 20 11211 1 . CYS 21 21 11211 1 . GLY 22 22 11211 1 . GLU 23 23 11211 1 . ARG 24 24 11211 1 . VAL 25 25 11211 1 . GLU 26 26 11211 1 . LEU 27 27 11211 1 . GLU 28 28 11211 1 . CYS 29 29 11211 1 . GLU 30 30 11211 1 . VAL 31 31 11211 1 . SER 32 32 11211 1 . GLU 33 33 11211 1 . ASP 34 34 11211 1 . ASP 35 35 11211 1 . ALA 36 36 11211 1 . ASN 37 37 11211 1 . VAL 38 38 11211 1 . LYS 39 39 11211 1 . TRP 40 40 11211 1 . PHE 41 41 11211 1 . LYS 42 42 11211 1 . ASN 43 43 11211 1 . GLY 44 44 11211 1 . GLU 45 45 11211 1 . GLU 46 46 11211 1 . ILE 47 47 11211 1 . ILE 48 48 11211 1 . PRO 49 49 11211 1 . GLY 50 50 11211 1 . PRO 51 51 11211 1 . LYS 52 52 11211 1 . SER 53 53 11211 1 . ARG 54 54 11211 1 . TYR 55 55 11211 1 . ARG 56 56 11211 1 . ILE 57 57 11211 1 . ARG 58 58 11211 1 . VAL 59 59 11211 1 . GLU 60 60 11211 1 . GLY 61 61 11211 1 . LYS 62 62 11211 1 . LYS 63 63 11211 1 . HIS 64 64 11211 1 . ILE 65 65 11211 1 . LEU 66 66 11211 1 . ILE 67 67 11211 1 . ILE 68 68 11211 1 . GLU 69 69 11211 1 . GLY 70 70 11211 1 . ALA 71 71 11211 1 . THR 72 72 11211 1 . LYS 73 73 11211 1 . ALA 74 74 11211 1 . ASP 75 75 11211 1 . ALA 76 76 11211 1 . ALA 77 77 11211 1 . GLU 78 78 11211 1 . TYR 79 79 11211 1 . SER 80 80 11211 1 . VAL 81 81 11211 1 . MET 82 82 11211 1 . THR 83 83 11211 1 . THR 84 84 11211 1 . GLY 85 85 11211 1 . GLY 86 86 11211 1 . GLN 87 87 11211 1 . SER 88 88 11211 1 . SER 89 89 11211 1 . ALA 90 90 11211 1 . LYS 91 91 11211 1 . LEU 92 92 11211 1 . SER 93 93 11211 1 . VAL 94 94 11211 1 . ASP 95 95 11211 1 . LEU 96 96 11211 1 . LYS 97 97 11211 1 . SER 98 98 11211 1 . GLY 99 99 11211 1 . PRO 100 100 11211 1 . SER 101 101 11211 1 . SER 102 102 11211 1 . GLY 103 103 11211 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 11211 _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 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11211 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 11211 _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 . . P050125-02 . . . . . . 11211 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11211 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.14mM 13C, 15N-labeled {protein;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% NaN3 ; _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 'IG-like domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.14 . . mM . . . . 11211 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11211 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11211 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11211 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11211 1 6 H2O . . . . . . solvent 90 . . % . . . . 11211 1 7 D2O . . . . . . solvent 10 . . % . . . . 11211 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 11211 _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 11211 1 pH 7.0 0.05 pH 11211 1 pressure 1 0.001 atm 11211 1 temperature 298 0.1 K 11211 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 11211 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 11211 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11211 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11211 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio F.' . . 11211 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11211 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11211 _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.' . . 11211 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11211 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11211 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9296 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi N.' . . 11211 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11211 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11211 _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.' . . 11211 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11211 5 'structure solution' 11211 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 11211 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 11211 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 11211 _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 Varian INOVA . 800 . . . 11211 1 2 spectrometer_2 Varian INOVA . 900 . . . 11211 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 11211 _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 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11211 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11211 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 11211 _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 . . . . . . . . . 11211 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11211 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11211 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 11211 _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 15N-separated NOESY' 1 $sample_1 isotropic 11211 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11211 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 $VNMR . . 11211 1 2 $NMRPipe . . 11211 1 3 $NMRView . . 11211 1 4 $Kujira . . 11211 1 5 $CYANA . . 11211 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 4 4 GLY HA2 H 1 4.026 0.030 . 1 . . . . 4 GLY HA2 . 11211 1 2 . 1 1 4 4 GLY HA3 H 1 4.026 0.030 . 1 . . . . 4 GLY HA3 . 11211 1 3 . 1 1 4 4 GLY CA C 13 45.330 0.300 . 1 . . . . 4 GLY CA . 11211 1 4 . 1 1 6 6 SER HA H 1 4.492 0.030 . 1 . . . . 6 SER HA . 11211 1 5 . 1 1 6 6 SER HB2 H 1 3.881 0.030 . 1 . . . . 6 SER HB2 . 11211 1 6 . 1 1 6 6 SER HB3 H 1 3.881 0.030 . 1 . . . . 6 SER HB3 . 11211 1 7 . 1 1 6 6 SER C C 13 174.369 0.300 . 1 . . . . 6 SER C . 11211 1 8 . 1 1 6 6 SER CA C 13 58.395 0.300 . 1 . . . . 6 SER CA . 11211 1 9 . 1 1 6 6 SER CB C 13 63.893 0.300 . 1 . . . . 6 SER CB . 11211 1 10 . 1 1 7 7 GLY H H 1 8.208 0.030 . 1 . . . . 7 GLY H . 11211 1 11 . 1 1 7 7 GLY HA2 H 1 3.705 0.030 . 2 . . . . 7 GLY HA2 . 11211 1 12 . 1 1 7 7 GLY HA3 H 1 3.861 0.030 . 2 . . . . 7 GLY HA3 . 11211 1 13 . 1 1 7 7 GLY C C 13 172.933 0.300 . 1 . . . . 7 GLY C . 11211 1 14 . 1 1 7 7 GLY CA C 13 44.701 0.300 . 1 . . . . 7 GLY CA . 11211 1 15 . 1 1 7 7 GLY N N 15 109.268 0.300 . 1 . . . . 7 GLY N . 11211 1 16 . 1 1 8 8 ILE H H 1 7.712 0.030 . 1 . . . . 8 ILE H . 11211 1 17 . 1 1 8 8 ILE HA H 1 3.778 0.030 . 1 . . . . 8 ILE HA . 11211 1 18 . 1 1 8 8 ILE HB H 1 1.898 0.030 . 1 . . . . 8 ILE HB . 11211 1 19 . 1 1 8 8 ILE HD11 H 1 0.840 0.030 . 1 . . . . 8 ILE HD1 . 11211 1 20 . 1 1 8 8 ILE HD12 H 1 0.840 0.030 . 1 . . . . 8 ILE HD1 . 11211 1 21 . 1 1 8 8 ILE HD13 H 1 0.840 0.030 . 1 . . . . 8 ILE HD1 . 11211 1 22 . 1 1 8 8 ILE HG12 H 1 1.534 0.030 . 2 . . . . 8 ILE HG12 . 11211 1 23 . 1 1 8 8 ILE HG13 H 1 1.041 0.030 . 2 . . . . 8 ILE HG13 . 11211 1 24 . 1 1 8 8 ILE HG21 H 1 0.869 0.030 . 1 . . . . 8 ILE HG2 . 11211 1 25 . 1 1 8 8 ILE HG22 H 1 0.869 0.030 . 1 . . . . 8 ILE HG2 . 11211 1 26 . 1 1 8 8 ILE HG23 H 1 0.869 0.030 . 1 . . . . 8 ILE HG2 . 11211 1 27 . 1 1 8 8 ILE C C 13 175.591 0.300 . 1 . . . . 8 ILE C . 11211 1 28 . 1 1 8 8 ILE CA C 13 61.495 0.300 . 1 . . . . 8 ILE CA . 11211 1 29 . 1 1 8 8 ILE CB C 13 37.589 0.300 . 1 . . . . 8 ILE CB . 11211 1 30 . 1 1 8 8 ILE CD1 C 13 13.052 0.300 . 1 . . . . 8 ILE CD1 . 11211 1 31 . 1 1 8 8 ILE CG1 C 13 28.202 0.300 . 1 . . . . 8 ILE CG1 . 11211 1 32 . 1 1 8 8 ILE CG2 C 13 17.739 0.300 . 1 . . . . 8 ILE CG2 . 11211 1 33 . 1 1 8 8 ILE N N 15 121.333 0.300 . 1 . . . . 8 ILE N . 11211 1 34 . 1 1 9 9 MET H H 1 8.385 0.030 . 1 . . . . 9 MET H . 11211 1 35 . 1 1 9 9 MET HA H 1 4.491 0.030 . 1 . . . . 9 MET HA . 11211 1 36 . 1 1 9 9 MET HB2 H 1 1.946 0.030 . 2 . . . . 9 MET HB2 . 11211 1 37 . 1 1 9 9 MET HB3 H 1 1.718 0.030 . 2 . . . . 9 MET HB3 . 11211 1 38 . 1 1 9 9 MET HE1 H 1 2.041 0.030 . 1 . . . . 9 MET HE . 11211 1 39 . 1 1 9 9 MET HE2 H 1 2.041 0.030 . 1 . . . . 9 MET HE . 11211 1 40 . 1 1 9 9 MET HE3 H 1 2.041 0.030 . 1 . . . . 9 MET HE . 11211 1 41 . 1 1 9 9 MET HG2 H 1 2.531 0.030 . 2 . . . . 9 MET HG2 . 11211 1 42 . 1 1 9 9 MET HG3 H 1 2.465 0.030 . 2 . . . . 9 MET HG3 . 11211 1 43 . 1 1 9 9 MET C C 13 175.733 0.300 . 1 . . . . 9 MET C . 11211 1 44 . 1 1 9 9 MET CA C 13 53.450 0.300 . 1 . . . . 9 MET CA . 11211 1 45 . 1 1 9 9 MET CB C 13 34.528 0.300 . 1 . . . . 9 MET CB . 11211 1 46 . 1 1 9 9 MET CE C 13 17.070 0.300 . 1 . . . . 9 MET CE . 11211 1 47 . 1 1 9 9 MET CG C 13 31.970 0.300 . 1 . . . . 9 MET CG . 11211 1 48 . 1 1 9 9 MET N N 15 127.376 0.300 . 1 . . . . 9 MET N . 11211 1 49 . 1 1 10 10 VAL H H 1 8.663 0.030 . 1 . . . . 10 VAL H . 11211 1 50 . 1 1 10 10 VAL HA H 1 4.179 0.030 . 1 . . . . 10 VAL HA . 11211 1 51 . 1 1 10 10 VAL HB H 1 1.954 0.030 . 1 . . . . 10 VAL HB . 11211 1 52 . 1 1 10 10 VAL HG11 H 1 0.764 0.030 . 1 . . . . 10 VAL HG1 . 11211 1 53 . 1 1 10 10 VAL HG12 H 1 0.764 0.030 . 1 . . . . 10 VAL HG1 . 11211 1 54 . 1 1 10 10 VAL HG13 H 1 0.764 0.030 . 1 . . . . 10 VAL HG1 . 11211 1 55 . 1 1 10 10 VAL HG21 H 1 0.552 0.030 . 1 . . . . 10 VAL HG2 . 11211 1 56 . 1 1 10 10 VAL HG22 H 1 0.552 0.030 . 1 . . . . 10 VAL HG2 . 11211 1 57 . 1 1 10 10 VAL HG23 H 1 0.552 0.030 . 1 . . . . 10 VAL HG2 . 11211 1 58 . 1 1 10 10 VAL C C 13 176.123 0.300 . 1 . . . . 10 VAL C . 11211 1 59 . 1 1 10 10 VAL CA C 13 62.956 0.300 . 1 . . . . 10 VAL CA . 11211 1 60 . 1 1 10 10 VAL CB C 13 30.922 0.300 . 1 . . . . 10 VAL CB . 11211 1 61 . 1 1 10 10 VAL CG1 C 13 21.989 0.300 . 2 . . . . 10 VAL CG1 . 11211 1 62 . 1 1 10 10 VAL CG2 C 13 20.511 0.300 . 2 . . . . 10 VAL CG2 . 11211 1 63 . 1 1 10 10 VAL N N 15 121.817 0.300 . 1 . . . . 10 VAL N . 11211 1 64 . 1 1 11 11 THR H H 1 8.847 0.030 . 1 . . . . 11 THR H . 11211 1 65 . 1 1 11 11 THR HA H 1 4.259 0.030 . 1 . . . . 11 THR HA . 11211 1 66 . 1 1 11 11 THR HB H 1 4.152 0.030 . 1 . . . . 11 THR HB . 11211 1 67 . 1 1 11 11 THR HG21 H 1 0.947 0.030 . 1 . . . . 11 THR HG2 . 11211 1 68 . 1 1 11 11 THR HG22 H 1 0.947 0.030 . 1 . . . . 11 THR HG2 . 11211 1 69 . 1 1 11 11 THR HG23 H 1 0.947 0.030 . 1 . . . . 11 THR HG2 . 11211 1 70 . 1 1 11 11 THR C C 13 175.364 0.300 . 1 . . . . 11 THR C . 11211 1 71 . 1 1 11 11 THR CA C 13 62.452 0.300 . 1 . . . . 11 THR CA . 11211 1 72 . 1 1 11 11 THR CB C 13 67.959 0.300 . 1 . . . . 11 THR CB . 11211 1 73 . 1 1 11 11 THR CG2 C 13 22.200 0.300 . 1 . . . . 11 THR CG2 . 11211 1 74 . 1 1 11 11 THR N N 15 120.819 0.300 . 1 . . . . 11 THR N . 11211 1 75 . 1 1 12 12 LYS H H 1 7.538 0.030 . 1 . . . . 12 LYS H . 11211 1 76 . 1 1 12 12 LYS HA H 1 4.575 0.030 . 1 . . . . 12 LYS HA . 11211 1 77 . 1 1 12 12 LYS HB2 H 1 1.682 0.030 . 1 . . . . 12 LYS HB2 . 11211 1 78 . 1 1 12 12 LYS HB3 H 1 1.682 0.030 . 1 . . . . 12 LYS HB3 . 11211 1 79 . 1 1 12 12 LYS HD2 H 1 1.657 0.030 . 2 . . . . 12 LYS HD2 . 11211 1 80 . 1 1 12 12 LYS HD3 H 1 1.582 0.030 . 2 . . . . 12 LYS HD3 . 11211 1 81 . 1 1 12 12 LYS HE2 H 1 2.959 0.030 . 1 . . . . 12 LYS HE2 . 11211 1 82 . 1 1 12 12 LYS HE3 H 1 2.959 0.030 . 1 . . . . 12 LYS HE3 . 11211 1 83 . 1 1 12 12 LYS HG2 H 1 1.491 0.030 . 2 . . . . 12 LYS HG2 . 11211 1 84 . 1 1 12 12 LYS HG3 H 1 1.361 0.030 . 2 . . . . 12 LYS HG3 . 11211 1 85 . 1 1 12 12 LYS C C 13 175.007 0.300 . 1 . . . . 12 LYS C . 11211 1 86 . 1 1 12 12 LYS CA C 13 56.827 0.300 . 1 . . . . 12 LYS CA . 11211 1 87 . 1 1 12 12 LYS CB C 13 34.787 0.300 . 1 . . . . 12 LYS CB . 11211 1 88 . 1 1 12 12 LYS CD C 13 29.588 0.300 . 1 . . . . 12 LYS CD . 11211 1 89 . 1 1 12 12 LYS CE C 13 42.157 0.300 . 1 . . . . 12 LYS CE . 11211 1 90 . 1 1 12 12 LYS CG C 13 24.983 0.300 . 1 . . . . 12 LYS CG . 11211 1 91 . 1 1 12 12 LYS N N 15 125.070 0.300 . 1 . . . . 12 LYS N . 11211 1 92 . 1 1 13 13 GLN H H 1 8.530 0.030 . 1 . . . . 13 GLN H . 11211 1 93 . 1 1 13 13 GLN HA H 1 3.869 0.030 . 1 . . . . 13 GLN HA . 11211 1 94 . 1 1 13 13 GLN HB2 H 1 2.422 0.030 . 2 . . . . 13 GLN HB2 . 11211 1 95 . 1 1 13 13 GLN HB3 H 1 1.921 0.030 . 2 . . . . 13 GLN HB3 . 11211 1 96 . 1 1 13 13 GLN HE21 H 1 7.676 0.030 . 2 . . . . 13 GLN HE21 . 11211 1 97 . 1 1 13 13 GLN HE22 H 1 7.029 0.030 . 2 . . . . 13 GLN HE22 . 11211 1 98 . 1 1 13 13 GLN HG2 H 1 2.530 0.030 . 2 . . . . 13 GLN HG2 . 11211 1 99 . 1 1 13 13 GLN HG3 H 1 2.445 0.030 . 2 . . . . 13 GLN HG3 . 11211 1 100 . 1 1 13 13 GLN C C 13 177.178 0.300 . 1 . . . . 13 GLN C . 11211 1 101 . 1 1 13 13 GLN CA C 13 55.755 0.300 . 1 . . . . 13 GLN CA . 11211 1 102 . 1 1 13 13 GLN CB C 13 29.292 0.300 . 1 . . . . 13 GLN CB . 11211 1 103 . 1 1 13 13 GLN CG C 13 33.480 0.300 . 1 . . . . 13 GLN CG . 11211 1 104 . 1 1 13 13 GLN N N 15 122.985 0.300 . 1 . . . . 13 GLN N . 11211 1 105 . 1 1 13 13 GLN NE2 N 15 114.188 0.300 . 1 . . . . 13 GLN NE2 . 11211 1 106 . 1 1 14 14 LEU H H 1 7.876 0.030 . 1 . . . . 14 LEU H . 11211 1 107 . 1 1 14 14 LEU HA H 1 4.283 0.030 . 1 . . . . 14 LEU HA . 11211 1 108 . 1 1 14 14 LEU HB2 H 1 1.321 0.030 . 2 . . . . 14 LEU HB2 . 11211 1 109 . 1 1 14 14 LEU HB3 H 1 1.475 0.030 . 2 . . . . 14 LEU HB3 . 11211 1 110 . 1 1 14 14 LEU HD11 H 1 0.837 0.030 . 1 . . . . 14 LEU HD1 . 11211 1 111 . 1 1 14 14 LEU HD12 H 1 0.837 0.030 . 1 . . . . 14 LEU HD1 . 11211 1 112 . 1 1 14 14 LEU HD13 H 1 0.837 0.030 . 1 . . . . 14 LEU HD1 . 11211 1 113 . 1 1 14 14 LEU HD21 H 1 0.967 0.030 . 1 . . . . 14 LEU HD2 . 11211 1 114 . 1 1 14 14 LEU HD22 H 1 0.967 0.030 . 1 . . . . 14 LEU HD2 . 11211 1 115 . 1 1 14 14 LEU HD23 H 1 0.967 0.030 . 1 . . . . 14 LEU HD2 . 11211 1 116 . 1 1 14 14 LEU HG H 1 1.407 0.030 . 1 . . . . 14 LEU HG . 11211 1 117 . 1 1 14 14 LEU C C 13 175.970 0.300 . 1 . . . . 14 LEU C . 11211 1 118 . 1 1 14 14 LEU CA C 13 55.497 0.300 . 1 . . . . 14 LEU CA . 11211 1 119 . 1 1 14 14 LEU CB C 13 44.305 0.300 . 1 . . . . 14 LEU CB . 11211 1 120 . 1 1 14 14 LEU CD1 C 13 26.254 0.300 . 2 . . . . 14 LEU CD1 . 11211 1 121 . 1 1 14 14 LEU CD2 C 13 23.036 0.300 . 2 . . . . 14 LEU CD2 . 11211 1 122 . 1 1 14 14 LEU CG C 13 27.135 0.300 . 1 . . . . 14 LEU CG . 11211 1 123 . 1 1 14 14 LEU N N 15 118.623 0.300 . 1 . . . . 14 LEU N . 11211 1 124 . 1 1 15 15 GLU H H 1 8.408 0.030 . 1 . . . . 15 GLU H . 11211 1 125 . 1 1 15 15 GLU HA H 1 4.718 0.030 . 1 . . . . 15 GLU HA . 11211 1 126 . 1 1 15 15 GLU HB2 H 1 2.041 0.030 . 2 . . . . 15 GLU HB2 . 11211 1 127 . 1 1 15 15 GLU HB3 H 1 1.794 0.030 . 2 . . . . 15 GLU HB3 . 11211 1 128 . 1 1 15 15 GLU HG2 H 1 2.314 0.030 . 2 . . . . 15 GLU HG2 . 11211 1 129 . 1 1 15 15 GLU HG3 H 1 2.289 0.030 . 2 . . . . 15 GLU HG3 . 11211 1 130 . 1 1 15 15 GLU C C 13 175.711 0.300 . 1 . . . . 15 GLU C . 11211 1 131 . 1 1 15 15 GLU CA C 13 54.341 0.300 . 1 . . . . 15 GLU CA . 11211 1 132 . 1 1 15 15 GLU CB C 13 33.041 0.300 . 1 . . . . 15 GLU CB . 11211 1 133 . 1 1 15 15 GLU CG C 13 35.903 0.300 . 1 . . . . 15 GLU CG . 11211 1 134 . 1 1 15 15 GLU N N 15 119.725 0.300 . 1 . . . . 15 GLU N . 11211 1 135 . 1 1 16 16 ASP H H 1 8.834 0.030 . 1 . . . . 16 ASP H . 11211 1 136 . 1 1 16 16 ASP HA H 1 4.873 0.030 . 1 . . . . 16 ASP HA . 11211 1 137 . 1 1 16 16 ASP HB2 H 1 2.763 0.030 . 2 . . . . 16 ASP HB2 . 11211 1 138 . 1 1 16 16 ASP HB3 H 1 2.645 0.030 . 2 . . . . 16 ASP HB3 . 11211 1 139 . 1 1 16 16 ASP C C 13 176.786 0.300 . 1 . . . . 16 ASP C . 11211 1 140 . 1 1 16 16 ASP CA C 13 55.848 0.300 . 1 . . . . 16 ASP CA . 11211 1 141 . 1 1 16 16 ASP CB C 13 39.985 0.300 . 1 . . . . 16 ASP CB . 11211 1 142 . 1 1 16 16 ASP N N 15 125.206 0.300 . 1 . . . . 16 ASP N . 11211 1 143 . 1 1 17 17 THR H H 1 8.665 0.030 . 1 . . . . 17 THR H . 11211 1 144 . 1 1 17 17 THR HA H 1 4.689 0.030 . 1 . . . . 17 THR HA . 11211 1 145 . 1 1 17 17 THR HB H 1 3.779 0.030 . 1 . . . . 17 THR HB . 11211 1 146 . 1 1 17 17 THR HG21 H 1 1.120 0.030 . 1 . . . . 17 THR HG2 . 11211 1 147 . 1 1 17 17 THR HG22 H 1 1.120 0.030 . 1 . . . . 17 THR HG2 . 11211 1 148 . 1 1 17 17 THR HG23 H 1 1.120 0.030 . 1 . . . . 17 THR HG2 . 11211 1 149 . 1 1 17 17 THR C C 13 172.071 0.300 . 1 . . . . 17 THR C . 11211 1 150 . 1 1 17 17 THR CA C 13 62.338 0.300 . 1 . . . . 17 THR CA . 11211 1 151 . 1 1 17 17 THR CB C 13 73.220 0.300 . 1 . . . . 17 THR CB . 11211 1 152 . 1 1 17 17 THR CG2 C 13 20.189 0.300 . 1 . . . . 17 THR CG2 . 11211 1 153 . 1 1 17 17 THR N N 15 119.218 0.300 . 1 . . . . 17 THR N . 11211 1 154 . 1 1 18 18 THR H H 1 8.701 0.030 . 1 . . . . 18 THR H . 11211 1 155 . 1 1 18 18 THR HA H 1 5.039 0.030 . 1 . . . . 18 THR HA . 11211 1 156 . 1 1 18 18 THR HB H 1 3.906 0.030 . 1 . . . . 18 THR HB . 11211 1 157 . 1 1 18 18 THR HG21 H 1 0.940 0.030 . 1 . . . . 18 THR HG2 . 11211 1 158 . 1 1 18 18 THR HG22 H 1 0.940 0.030 . 1 . . . . 18 THR HG2 . 11211 1 159 . 1 1 18 18 THR HG23 H 1 0.940 0.030 . 1 . . . . 18 THR HG2 . 11211 1 160 . 1 1 18 18 THR C C 13 172.417 0.300 . 1 . . . . 18 THR C . 11211 1 161 . 1 1 18 18 THR CA C 13 60.952 0.300 . 1 . . . . 18 THR CA . 11211 1 162 . 1 1 18 18 THR CB C 13 70.599 0.300 . 1 . . . . 18 THR CB . 11211 1 163 . 1 1 18 18 THR CG2 C 13 21.168 0.300 . 1 . . . . 18 THR CG2 . 11211 1 164 . 1 1 18 18 THR N N 15 122.616 0.300 . 1 . . . . 18 THR N . 11211 1 165 . 1 1 19 19 ALA H H 1 8.646 0.030 . 1 . . . . 19 ALA H . 11211 1 166 . 1 1 19 19 ALA HA H 1 4.631 0.030 . 1 . . . . 19 ALA HA . 11211 1 167 . 1 1 19 19 ALA HB1 H 1 1.221 0.030 . 1 . . . . 19 ALA HB . 11211 1 168 . 1 1 19 19 ALA HB2 H 1 1.221 0.030 . 1 . . . . 19 ALA HB . 11211 1 169 . 1 1 19 19 ALA HB3 H 1 1.221 0.030 . 1 . . . . 19 ALA HB . 11211 1 170 . 1 1 19 19 ALA C C 13 175.096 0.300 . 1 . . . . 19 ALA C . 11211 1 171 . 1 1 19 19 ALA CA C 13 49.805 0.300 . 1 . . . . 19 ALA CA . 11211 1 172 . 1 1 19 19 ALA CB C 13 23.935 0.300 . 1 . . . . 19 ALA CB . 11211 1 173 . 1 1 19 19 ALA N N 15 128.294 0.300 . 1 . . . . 19 ALA N . 11211 1 174 . 1 1 20 20 TYR H H 1 8.307 0.030 . 1 . . . . 20 TYR H . 11211 1 175 . 1 1 20 20 TYR HA H 1 5.421 0.030 . 1 . . . . 20 TYR HA . 11211 1 176 . 1 1 20 20 TYR HB2 H 1 3.057 0.030 . 2 . . . . 20 TYR HB2 . 11211 1 177 . 1 1 20 20 TYR HB3 H 1 2.573 0.030 . 2 . . . . 20 TYR HB3 . 11211 1 178 . 1 1 20 20 TYR HD1 H 1 7.107 0.030 . 1 . . . . 20 TYR HD1 . 11211 1 179 . 1 1 20 20 TYR HD2 H 1 7.107 0.030 . 1 . . . . 20 TYR HD2 . 11211 1 180 . 1 1 20 20 TYR HE1 H 1 6.788 0.030 . 1 . . . . 20 TYR HE1 . 11211 1 181 . 1 1 20 20 TYR HE2 H 1 6.788 0.030 . 1 . . . . 20 TYR HE2 . 11211 1 182 . 1 1 20 20 TYR C C 13 176.179 0.300 . 1 . . . . 20 TYR C . 11211 1 183 . 1 1 20 20 TYR CA C 13 55.956 0.300 . 1 . . . . 20 TYR CA . 11211 1 184 . 1 1 20 20 TYR CB C 13 40.182 0.300 . 1 . . . . 20 TYR CB . 11211 1 185 . 1 1 20 20 TYR CD1 C 13 133.455 0.300 . 1 . . . . 20 TYR CD1 . 11211 1 186 . 1 1 20 20 TYR CD2 C 13 133.455 0.300 . 1 . . . . 20 TYR CD2 . 11211 1 187 . 1 1 20 20 TYR CE1 C 13 117.911 0.300 . 1 . . . . 20 TYR CE1 . 11211 1 188 . 1 1 20 20 TYR CE2 C 13 117.911 0.300 . 1 . . . . 20 TYR CE2 . 11211 1 189 . 1 1 20 20 TYR N N 15 117.630 0.300 . 1 . . . . 20 TYR N . 11211 1 190 . 1 1 21 21 CYS H H 1 8.251 0.030 . 1 . . . . 21 CYS H . 11211 1 191 . 1 1 21 21 CYS HA H 1 3.928 0.030 . 1 . . . . 21 CYS HA . 11211 1 192 . 1 1 21 21 CYS HB2 H 1 2.912 0.030 . 2 . . . . 21 CYS HB2 . 11211 1 193 . 1 1 21 21 CYS HB3 H 1 3.056 0.030 . 2 . . . . 21 CYS HB3 . 11211 1 194 . 1 1 21 21 CYS C C 13 176.101 0.300 . 1 . . . . 21 CYS C . 11211 1 195 . 1 1 21 21 CYS CA C 13 60.862 0.300 . 1 . . . . 21 CYS CA . 11211 1 196 . 1 1 21 21 CYS CB C 13 27.117 0.300 . 1 . . . . 21 CYS CB . 11211 1 197 . 1 1 21 21 CYS N N 15 118.017 0.300 . 1 . . . . 21 CYS N . 11211 1 198 . 1 1 22 22 GLY H H 1 10.067 0.030 . 1 . . . . 22 GLY H . 11211 1 199 . 1 1 22 22 GLY HA2 H 1 3.518 0.030 . 2 . . . . 22 GLY HA2 . 11211 1 200 . 1 1 22 22 GLY HA3 H 1 4.412 0.030 . 2 . . . . 22 GLY HA3 . 11211 1 201 . 1 1 22 22 GLY C C 13 174.562 0.300 . 1 . . . . 22 GLY C . 11211 1 202 . 1 1 22 22 GLY CA C 13 44.810 0.300 . 1 . . . . 22 GLY CA . 11211 1 203 . 1 1 22 22 GLY N N 15 113.865 0.300 . 1 . . . . 22 GLY N . 11211 1 204 . 1 1 23 23 GLU H H 1 7.990 0.030 . 1 . . . . 23 GLU H . 11211 1 205 . 1 1 23 23 GLU HA H 1 4.349 0.030 . 1 . . . . 23 GLU HA . 11211 1 206 . 1 1 23 23 GLU HB2 H 1 2.117 0.030 . 2 . . . . 23 GLU HB2 . 11211 1 207 . 1 1 23 23 GLU HB3 H 1 2.063 0.030 . 2 . . . . 23 GLU HB3 . 11211 1 208 . 1 1 23 23 GLU HG2 H 1 2.370 0.030 . 2 . . . . 23 GLU HG2 . 11211 1 209 . 1 1 23 23 GLU HG3 H 1 2.213 0.030 . 2 . . . . 23 GLU HG3 . 11211 1 210 . 1 1 23 23 GLU C C 13 175.346 0.300 . 1 . . . . 23 GLU C . 11211 1 211 . 1 1 23 23 GLU CA C 13 56.338 0.300 . 1 . . . . 23 GLU CA . 11211 1 212 . 1 1 23 23 GLU CB C 13 31.188 0.300 . 1 . . . . 23 GLU CB . 11211 1 213 . 1 1 23 23 GLU CG C 13 37.680 0.300 . 1 . . . . 23 GLU CG . 11211 1 214 . 1 1 23 23 GLU N N 15 120.856 0.300 . 1 . . . . 23 GLU N . 11211 1 215 . 1 1 24 24 ARG H H 1 8.390 0.030 . 1 . . . . 24 ARG H . 11211 1 216 . 1 1 24 24 ARG HA H 1 4.896 0.030 . 1 . . . . 24 ARG HA . 11211 1 217 . 1 1 24 24 ARG HB2 H 1 1.861 0.030 . 2 . . . . 24 ARG HB2 . 11211 1 218 . 1 1 24 24 ARG HB3 H 1 1.715 0.030 . 2 . . . . 24 ARG HB3 . 11211 1 219 . 1 1 24 24 ARG HD2 H 1 3.175 0.030 . 2 . . . . 24 ARG HD2 . 11211 1 220 . 1 1 24 24 ARG HD3 H 1 3.129 0.030 . 2 . . . . 24 ARG HD3 . 11211 1 221 . 1 1 24 24 ARG HE H 1 7.837 0.030 . 1 . . . . 24 ARG HE . 11211 1 222 . 1 1 24 24 ARG HG2 H 1 1.410 0.030 . 2 . . . . 24 ARG HG2 . 11211 1 223 . 1 1 24 24 ARG HG3 H 1 1.285 0.030 . 2 . . . . 24 ARG HG3 . 11211 1 224 . 1 1 24 24 ARG C C 13 176.017 0.300 . 1 . . . . 24 ARG C . 11211 1 225 . 1 1 24 24 ARG CA C 13 55.471 0.300 . 1 . . . . 24 ARG CA . 11211 1 226 . 1 1 24 24 ARG CB C 13 30.946 0.300 . 1 . . . . 24 ARG CB . 11211 1 227 . 1 1 24 24 ARG CD C 13 43.614 0.300 . 1 . . . . 24 ARG CD . 11211 1 228 . 1 1 24 24 ARG CG C 13 28.211 0.300 . 1 . . . . 24 ARG CG . 11211 1 229 . 1 1 24 24 ARG N N 15 122.075 0.300 . 1 . . . . 24 ARG N . 11211 1 230 . 1 1 24 24 ARG NE N 15 85.783 0.300 . 1 . . . . 24 ARG NE . 11211 1 231 . 1 1 25 25 VAL H H 1 8.930 0.030 . 1 . . . . 25 VAL H . 11211 1 232 . 1 1 25 25 VAL HA H 1 4.227 0.030 . 1 . . . . 25 VAL HA . 11211 1 233 . 1 1 25 25 VAL HB H 1 1.803 0.030 . 1 . . . . 25 VAL HB . 11211 1 234 . 1 1 25 25 VAL HG11 H 1 0.798 0.030 . 1 . . . . 25 VAL HG1 . 11211 1 235 . 1 1 25 25 VAL HG12 H 1 0.798 0.030 . 1 . . . . 25 VAL HG1 . 11211 1 236 . 1 1 25 25 VAL HG13 H 1 0.798 0.030 . 1 . . . . 25 VAL HG1 . 11211 1 237 . 1 1 25 25 VAL HG21 H 1 0.761 0.030 . 1 . . . . 25 VAL HG2 . 11211 1 238 . 1 1 25 25 VAL HG22 H 1 0.761 0.030 . 1 . . . . 25 VAL HG2 . 11211 1 239 . 1 1 25 25 VAL HG23 H 1 0.761 0.030 . 1 . . . . 25 VAL HG2 . 11211 1 240 . 1 1 25 25 VAL C C 13 173.413 0.300 . 1 . . . . 25 VAL C . 11211 1 241 . 1 1 25 25 VAL CA C 13 60.937 0.300 . 1 . . . . 25 VAL CA . 11211 1 242 . 1 1 25 25 VAL CB C 13 34.703 0.300 . 1 . . . . 25 VAL CB . 11211 1 243 . 1 1 25 25 VAL CG1 C 13 22.102 0.300 . 2 . . . . 25 VAL CG1 . 11211 1 244 . 1 1 25 25 VAL CG2 C 13 21.053 0.300 . 2 . . . . 25 VAL CG2 . 11211 1 245 . 1 1 25 25 VAL N N 15 129.085 0.300 . 1 . . . . 25 VAL N . 11211 1 246 . 1 1 26 26 GLU H H 1 8.354 0.030 . 1 . . . . 26 GLU H . 11211 1 247 . 1 1 26 26 GLU HA H 1 5.113 0.030 . 1 . . . . 26 GLU HA . 11211 1 248 . 1 1 26 26 GLU HB2 H 1 1.805 0.030 . 2 . . . . 26 GLU HB2 . 11211 1 249 . 1 1 26 26 GLU HB3 H 1 1.677 0.030 . 2 . . . . 26 GLU HB3 . 11211 1 250 . 1 1 26 26 GLU HG2 H 1 2.099 0.030 . 2 . . . . 26 GLU HG2 . 11211 1 251 . 1 1 26 26 GLU HG3 H 1 1.984 0.030 . 2 . . . . 26 GLU HG3 . 11211 1 252 . 1 1 26 26 GLU C C 13 175.460 0.300 . 1 . . . . 26 GLU C . 11211 1 253 . 1 1 26 26 GLU CA C 13 54.583 0.300 . 1 . . . . 26 GLU CA . 11211 1 254 . 1 1 26 26 GLU CB C 13 31.788 0.300 . 1 . . . . 26 GLU CB . 11211 1 255 . 1 1 26 26 GLU CG C 13 36.594 0.300 . 1 . . . . 26 GLU CG . 11211 1 256 . 1 1 26 26 GLU N N 15 124.699 0.300 . 1 . . . . 26 GLU N . 11211 1 257 . 1 1 27 27 LEU H H 1 9.180 0.030 . 1 . . . . 27 LEU H . 11211 1 258 . 1 1 27 27 LEU HA H 1 4.660 0.030 . 1 . . . . 27 LEU HA . 11211 1 259 . 1 1 27 27 LEU HB2 H 1 1.761 0.030 . 2 . . . . 27 LEU HB2 . 11211 1 260 . 1 1 27 27 LEU HB3 H 1 1.507 0.030 . 2 . . . . 27 LEU HB3 . 11211 1 261 . 1 1 27 27 LEU HD11 H 1 0.483 0.030 . 1 . . . . 27 LEU HD1 . 11211 1 262 . 1 1 27 27 LEU HD12 H 1 0.483 0.030 . 1 . . . . 27 LEU HD1 . 11211 1 263 . 1 1 27 27 LEU HD13 H 1 0.483 0.030 . 1 . . . . 27 LEU HD1 . 11211 1 264 . 1 1 27 27 LEU HD21 H 1 0.804 0.030 . 1 . . . . 27 LEU HD2 . 11211 1 265 . 1 1 27 27 LEU HD22 H 1 0.804 0.030 . 1 . . . . 27 LEU HD2 . 11211 1 266 . 1 1 27 27 LEU HD23 H 1 0.804 0.030 . 1 . . . . 27 LEU HD2 . 11211 1 267 . 1 1 27 27 LEU HG H 1 1.397 0.030 . 1 . . . . 27 LEU HG . 11211 1 268 . 1 1 27 27 LEU C C 13 174.329 0.300 . 1 . . . . 27 LEU C . 11211 1 269 . 1 1 27 27 LEU CA C 13 53.992 0.300 . 1 . . . . 27 LEU CA . 11211 1 270 . 1 1 27 27 LEU CB C 13 43.037 0.300 . 1 . . . . 27 LEU CB . 11211 1 271 . 1 1 27 27 LEU CD1 C 13 25.809 0.300 . 2 . . . . 27 LEU CD1 . 11211 1 272 . 1 1 27 27 LEU CD2 C 13 23.645 0.300 . 2 . . . . 27 LEU CD2 . 11211 1 273 . 1 1 27 27 LEU CG C 13 27.185 0.300 . 1 . . . . 27 LEU CG . 11211 1 274 . 1 1 27 27 LEU N N 15 125.782 0.300 . 1 . . . . 27 LEU N . 11211 1 275 . 1 1 28 28 GLU H H 1 8.230 0.030 . 1 . . . . 28 GLU H . 11211 1 276 . 1 1 28 28 GLU HA H 1 5.717 0.030 . 1 . . . . 28 GLU HA . 11211 1 277 . 1 1 28 28 GLU HB2 H 1 1.950 0.030 . 1 . . . . 28 GLU HB2 . 11211 1 278 . 1 1 28 28 GLU HB3 H 1 1.950 0.030 . 1 . . . . 28 GLU HB3 . 11211 1 279 . 1 1 28 28 GLU HG2 H 1 2.147 0.030 . 2 . . . . 28 GLU HG2 . 11211 1 280 . 1 1 28 28 GLU HG3 H 1 2.055 0.030 . 2 . . . . 28 GLU HG3 . 11211 1 281 . 1 1 28 28 GLU C C 13 174.914 0.300 . 1 . . . . 28 GLU C . 11211 1 282 . 1 1 28 28 GLU CA C 13 54.529 0.300 . 1 . . . . 28 GLU CA . 11211 1 283 . 1 1 28 28 GLU CB C 13 34.178 0.300 . 1 . . . . 28 GLU CB . 11211 1 284 . 1 1 28 28 GLU CG C 13 36.440 0.300 . 1 . . . . 28 GLU CG . 11211 1 285 . 1 1 28 28 GLU N N 15 120.380 0.300 . 1 . . . . 28 GLU N . 11211 1 286 . 1 1 29 29 CYS H H 1 9.328 0.030 . 1 . . . . 29 CYS H . 11211 1 287 . 1 1 29 29 CYS HA H 1 4.913 0.030 . 1 . . . . 29 CYS HA . 11211 1 288 . 1 1 29 29 CYS HB2 H 1 3.259 0.030 . 2 . . . . 29 CYS HB2 . 11211 1 289 . 1 1 29 29 CYS HB3 H 1 2.764 0.030 . 2 . . . . 29 CYS HB3 . 11211 1 290 . 1 1 29 29 CYS C C 13 172.406 0.300 . 1 . . . . 29 CYS C . 11211 1 291 . 1 1 29 29 CYS CA C 13 55.848 0.300 . 1 . . . . 29 CYS CA . 11211 1 292 . 1 1 29 29 CYS CB C 13 31.267 0.300 . 1 . . . . 29 CYS CB . 11211 1 293 . 1 1 29 29 CYS N N 15 118.731 0.300 . 1 . . . . 29 CYS N . 11211 1 294 . 1 1 30 30 GLU H H 1 8.301 0.030 . 1 . . . . 30 GLU H . 11211 1 295 . 1 1 30 30 GLU HA H 1 5.721 0.030 . 1 . . . . 30 GLU HA . 11211 1 296 . 1 1 30 30 GLU HB2 H 1 1.923 0.030 . 2 . . . . 30 GLU HB2 . 11211 1 297 . 1 1 30 30 GLU HB3 H 1 1.815 0.030 . 2 . . . . 30 GLU HB3 . 11211 1 298 . 1 1 30 30 GLU HG2 H 1 2.160 0.030 . 2 . . . . 30 GLU HG2 . 11211 1 299 . 1 1 30 30 GLU HG3 H 1 2.289 0.030 . 2 . . . . 30 GLU HG3 . 11211 1 300 . 1 1 30 30 GLU C C 13 176.132 0.300 . 1 . . . . 30 GLU C . 11211 1 301 . 1 1 30 30 GLU CA C 13 54.821 0.300 . 1 . . . . 30 GLU CA . 11211 1 302 . 1 1 30 30 GLU CB C 13 33.836 0.300 . 1 . . . . 30 GLU CB . 11211 1 303 . 1 1 30 30 GLU CG C 13 37.168 0.300 . 1 . . . . 30 GLU CG . 11211 1 304 . 1 1 30 30 GLU N N 15 117.662 0.300 . 1 . . . . 30 GLU N . 11211 1 305 . 1 1 31 31 VAL H H 1 8.837 0.030 . 1 . . . . 31 VAL H . 11211 1 306 . 1 1 31 31 VAL HA H 1 5.524 0.030 . 1 . . . . 31 VAL HA . 11211 1 307 . 1 1 31 31 VAL HB H 1 2.250 0.030 . 1 . . . . 31 VAL HB . 11211 1 308 . 1 1 31 31 VAL HG11 H 1 0.608 0.030 . 1 . . . . 31 VAL HG1 . 11211 1 309 . 1 1 31 31 VAL HG12 H 1 0.608 0.030 . 1 . . . . 31 VAL HG1 . 11211 1 310 . 1 1 31 31 VAL HG13 H 1 0.608 0.030 . 1 . . . . 31 VAL HG1 . 11211 1 311 . 1 1 31 31 VAL HG21 H 1 1.072 0.030 . 1 . . . . 31 VAL HG2 . 11211 1 312 . 1 1 31 31 VAL HG22 H 1 1.072 0.030 . 1 . . . . 31 VAL HG2 . 11211 1 313 . 1 1 31 31 VAL HG23 H 1 1.072 0.030 . 1 . . . . 31 VAL HG2 . 11211 1 314 . 1 1 31 31 VAL C C 13 177.658 0.300 . 1 . . . . 31 VAL C . 11211 1 315 . 1 1 31 31 VAL CA C 13 58.946 0.300 . 1 . . . . 31 VAL CA . 11211 1 316 . 1 1 31 31 VAL CB C 13 34.455 0.300 . 1 . . . . 31 VAL CB . 11211 1 317 . 1 1 31 31 VAL CG1 C 13 21.316 0.300 . 2 . . . . 31 VAL CG1 . 11211 1 318 . 1 1 31 31 VAL CG2 C 13 19.559 0.300 . 2 . . . . 31 VAL CG2 . 11211 1 319 . 1 1 31 31 VAL N N 15 113.972 0.300 . 1 . . . . 31 VAL N . 11211 1 320 . 1 1 32 32 SER H H 1 8.483 0.030 . 1 . . . . 32 SER H . 11211 1 321 . 1 1 32 32 SER HA H 1 4.073 0.030 . 1 . . . . 32 SER HA . 11211 1 322 . 1 1 32 32 SER HB2 H 1 4.287 0.030 . 2 . . . . 32 SER HB2 . 11211 1 323 . 1 1 32 32 SER HB3 H 1 3.710 0.030 . 2 . . . . 32 SER HB3 . 11211 1 324 . 1 1 32 32 SER C C 13 174.101 0.300 . 1 . . . . 32 SER C . 11211 1 325 . 1 1 32 32 SER CA C 13 60.900 0.300 . 1 . . . . 32 SER CA . 11211 1 326 . 1 1 32 32 SER CB C 13 63.760 0.300 . 1 . . . . 32 SER CB . 11211 1 327 . 1 1 32 32 SER N N 15 110.219 0.300 . 1 . . . . 32 SER N . 11211 1 328 . 1 1 33 33 GLU H H 1 6.812 0.030 . 1 . . . . 33 GLU H . 11211 1 329 . 1 1 33 33 GLU HA H 1 4.823 0.030 . 1 . . . . 33 GLU HA . 11211 1 330 . 1 1 33 33 GLU HB2 H 1 1.609 0.030 . 2 . . . . 33 GLU HB2 . 11211 1 331 . 1 1 33 33 GLU HB3 H 1 2.209 0.030 . 2 . . . . 33 GLU HB3 . 11211 1 332 . 1 1 33 33 GLU HG2 H 1 2.272 0.030 . 1 . . . . 33 GLU HG2 . 11211 1 333 . 1 1 33 33 GLU HG3 H 1 2.272 0.030 . 1 . . . . 33 GLU HG3 . 11211 1 334 . 1 1 33 33 GLU C C 13 175.288 0.300 . 1 . . . . 33 GLU C . 11211 1 335 . 1 1 33 33 GLU CA C 13 54.547 0.300 . 1 . . . . 33 GLU CA . 11211 1 336 . 1 1 33 33 GLU CB C 13 34.699 0.300 . 1 . . . . 33 GLU CB . 11211 1 337 . 1 1 33 33 GLU CG C 13 35.903 0.300 . 1 . . . . 33 GLU CG . 11211 1 338 . 1 1 33 33 GLU N N 15 116.489 0.300 . 1 . . . . 33 GLU N . 11211 1 339 . 1 1 34 34 ASP H H 1 8.776 0.030 . 1 . . . . 34 ASP H . 11211 1 340 . 1 1 34 34 ASP HA H 1 4.147 0.030 . 1 . . . . 34 ASP HA . 11211 1 341 . 1 1 34 34 ASP HB2 H 1 2.534 0.030 . 2 . . . . 34 ASP HB2 . 11211 1 342 . 1 1 34 34 ASP HB3 H 1 2.425 0.030 . 2 . . . . 34 ASP HB3 . 11211 1 343 . 1 1 34 34 ASP C C 13 175.140 0.300 . 1 . . . . 34 ASP C . 11211 1 344 . 1 1 34 34 ASP CA C 13 55.242 0.300 . 1 . . . . 34 ASP CA . 11211 1 345 . 1 1 34 34 ASP CB C 13 42.089 0.300 . 1 . . . . 34 ASP CB . 11211 1 346 . 1 1 34 34 ASP N N 15 122.476 0.300 . 1 . . . . 34 ASP N . 11211 1 347 . 1 1 35 35 ASP H H 1 8.874 0.030 . 1 . . . . 35 ASP H . 11211 1 348 . 1 1 35 35 ASP HA H 1 4.286 0.030 . 1 . . . . 35 ASP HA . 11211 1 349 . 1 1 35 35 ASP HB2 H 1 2.590 0.030 . 2 . . . . 35 ASP HB2 . 11211 1 350 . 1 1 35 35 ASP HB3 H 1 2.875 0.030 . 2 . . . . 35 ASP HB3 . 11211 1 351 . 1 1 35 35 ASP C C 13 174.748 0.300 . 1 . . . . 35 ASP C . 11211 1 352 . 1 1 35 35 ASP CA C 13 55.336 0.300 . 1 . . . . 35 ASP CA . 11211 1 353 . 1 1 35 35 ASP CB C 13 39.301 0.300 . 1 . . . . 35 ASP CB . 11211 1 354 . 1 1 35 35 ASP N N 15 116.826 0.300 . 1 . . . . 35 ASP N . 11211 1 355 . 1 1 36 36 ALA H H 1 8.107 0.030 . 1 . . . . 36 ALA H . 11211 1 356 . 1 1 36 36 ALA HA H 1 4.249 0.030 . 1 . . . . 36 ALA HA . 11211 1 357 . 1 1 36 36 ALA HB1 H 1 1.293 0.030 . 1 . . . . 36 ALA HB . 11211 1 358 . 1 1 36 36 ALA HB2 H 1 1.293 0.030 . 1 . . . . 36 ALA HB . 11211 1 359 . 1 1 36 36 ALA HB3 H 1 1.293 0.030 . 1 . . . . 36 ALA HB . 11211 1 360 . 1 1 36 36 ALA C C 13 176.843 0.300 . 1 . . . . 36 ALA C . 11211 1 361 . 1 1 36 36 ALA CA C 13 51.837 0.300 . 1 . . . . 36 ALA CA . 11211 1 362 . 1 1 36 36 ALA CB C 13 21.244 0.300 . 1 . . . . 36 ALA CB . 11211 1 363 . 1 1 36 36 ALA N N 15 119.605 0.300 . 1 . . . . 36 ALA N . 11211 1 364 . 1 1 37 37 ASN H H 1 8.524 0.030 . 1 . . . . 37 ASN H . 11211 1 365 . 1 1 37 37 ASN HA H 1 4.894 0.030 . 1 . . . . 37 ASN HA . 11211 1 366 . 1 1 37 37 ASN HB2 H 1 2.765 0.030 . 2 . . . . 37 ASN HB2 . 11211 1 367 . 1 1 37 37 ASN HB3 H 1 2.702 0.030 . 2 . . . . 37 ASN HB3 . 11211 1 368 . 1 1 37 37 ASN HD21 H 1 7.585 0.030 . 2 . . . . 37 ASN HD21 . 11211 1 369 . 1 1 37 37 ASN HD22 H 1 6.903 0.030 . 2 . . . . 37 ASN HD22 . 11211 1 370 . 1 1 37 37 ASN C C 13 174.381 0.300 . 1 . . . . 37 ASN C . 11211 1 371 . 1 1 37 37 ASN CA C 13 53.074 0.300 . 1 . . . . 37 ASN CA . 11211 1 372 . 1 1 37 37 ASN CB C 13 38.950 0.300 . 1 . . . . 37 ASN CB . 11211 1 373 . 1 1 37 37 ASN N N 15 119.715 0.300 . 1 . . . . 37 ASN N . 11211 1 374 . 1 1 37 37 ASN ND2 N 15 112.311 0.300 . 1 . . . . 37 ASN ND2 . 11211 1 375 . 1 1 38 38 VAL H H 1 8.444 0.030 . 1 . . . . 38 VAL H . 11211 1 376 . 1 1 38 38 VAL HA H 1 4.349 0.030 . 1 . . . . 38 VAL HA . 11211 1 377 . 1 1 38 38 VAL HB H 1 1.553 0.030 . 1 . . . . 38 VAL HB . 11211 1 378 . 1 1 38 38 VAL HG11 H 1 0.009 0.030 . 1 . . . . 38 VAL HG1 . 11211 1 379 . 1 1 38 38 VAL HG12 H 1 0.009 0.030 . 1 . . . . 38 VAL HG1 . 11211 1 380 . 1 1 38 38 VAL HG13 H 1 0.009 0.030 . 1 . . . . 38 VAL HG1 . 11211 1 381 . 1 1 38 38 VAL HG21 H 1 0.032 0.030 . 1 . . . . 38 VAL HG2 . 11211 1 382 . 1 1 38 38 VAL HG22 H 1 0.032 0.030 . 1 . . . . 38 VAL HG2 . 11211 1 383 . 1 1 38 38 VAL HG23 H 1 0.032 0.030 . 1 . . . . 38 VAL HG2 . 11211 1 384 . 1 1 38 38 VAL C C 13 174.847 0.300 . 1 . . . . 38 VAL C . 11211 1 385 . 1 1 38 38 VAL CA C 13 60.560 0.300 . 1 . . . . 38 VAL CA . 11211 1 386 . 1 1 38 38 VAL CB C 13 34.507 0.300 . 1 . . . . 38 VAL CB . 11211 1 387 . 1 1 38 38 VAL CG1 C 13 20.187 0.300 . 2 . . . . 38 VAL CG1 . 11211 1 388 . 1 1 38 38 VAL CG2 C 13 20.077 0.300 . 2 . . . . 38 VAL CG2 . 11211 1 389 . 1 1 38 38 VAL N N 15 125.134 0.300 . 1 . . . . 38 VAL N . 11211 1 390 . 1 1 39 39 LYS H H 1 7.926 0.030 . 1 . . . . 39 LYS H . 11211 1 391 . 1 1 39 39 LYS HA H 1 4.582 0.030 . 1 . . . . 39 LYS HA . 11211 1 392 . 1 1 39 39 LYS HB2 H 1 1.443 0.030 . 2 . . . . 39 LYS HB2 . 11211 1 393 . 1 1 39 39 LYS HB3 H 1 1.615 0.030 . 2 . . . . 39 LYS HB3 . 11211 1 394 . 1 1 39 39 LYS HD2 H 1 1.647 0.030 . 2 . . . . 39 LYS HD2 . 11211 1 395 . 1 1 39 39 LYS HD3 H 1 1.587 0.030 . 2 . . . . 39 LYS HD3 . 11211 1 396 . 1 1 39 39 LYS HE2 H 1 2.955 0.030 . 2 . . . . 39 LYS HE2 . 11211 1 397 . 1 1 39 39 LYS HE3 H 1 3.000 0.030 . 2 . . . . 39 LYS HE3 . 11211 1 398 . 1 1 39 39 LYS HG2 H 1 1.397 0.030 . 2 . . . . 39 LYS HG2 . 11211 1 399 . 1 1 39 39 LYS HG3 H 1 1.328 0.030 . 2 . . . . 39 LYS HG3 . 11211 1 400 . 1 1 39 39 LYS C C 13 173.865 0.300 . 1 . . . . 39 LYS C . 11211 1 401 . 1 1 39 39 LYS CA C 13 55.297 0.300 . 1 . . . . 39 LYS CA . 11211 1 402 . 1 1 39 39 LYS CB C 13 37.163 0.300 . 1 . . . . 39 LYS CB . 11211 1 403 . 1 1 39 39 LYS CD C 13 29.584 0.300 . 1 . . . . 39 LYS CD . 11211 1 404 . 1 1 39 39 LYS CE C 13 42.127 0.300 . 1 . . . . 39 LYS CE . 11211 1 405 . 1 1 39 39 LYS CG C 13 25.281 0.300 . 1 . . . . 39 LYS CG . 11211 1 406 . 1 1 39 39 LYS N N 15 124.806 0.300 . 1 . . . . 39 LYS N . 11211 1 407 . 1 1 40 40 TRP H H 1 8.722 0.030 . 1 . . . . 40 TRP H . 11211 1 408 . 1 1 40 40 TRP HA H 1 5.442 0.030 . 1 . . . . 40 TRP HA . 11211 1 409 . 1 1 40 40 TRP HB2 H 1 2.840 0.030 . 2 . . . . 40 TRP HB2 . 11211 1 410 . 1 1 40 40 TRP HB3 H 1 3.133 0.030 . 2 . . . . 40 TRP HB3 . 11211 1 411 . 1 1 40 40 TRP HD1 H 1 7.159 0.030 . 1 . . . . 40 TRP HD1 . 11211 1 412 . 1 1 40 40 TRP HE1 H 1 10.083 0.030 . 1 . . . . 40 TRP HE1 . 11211 1 413 . 1 1 40 40 TRP HE3 H 1 7.414 0.030 . 1 . . . . 40 TRP HE3 . 11211 1 414 . 1 1 40 40 TRP HH2 H 1 6.863 0.030 . 1 . . . . 40 TRP HH2 . 11211 1 415 . 1 1 40 40 TRP HZ2 H 1 7.059 0.030 . 1 . . . . 40 TRP HZ2 . 11211 1 416 . 1 1 40 40 TRP HZ3 H 1 6.698 0.030 . 1 . . . . 40 TRP HZ3 . 11211 1 417 . 1 1 40 40 TRP C C 13 175.903 0.300 . 1 . . . . 40 TRP C . 11211 1 418 . 1 1 40 40 TRP CA C 13 56.175 0.300 . 1 . . . . 40 TRP CA . 11211 1 419 . 1 1 40 40 TRP CB C 13 32.760 0.300 . 1 . . . . 40 TRP CB . 11211 1 420 . 1 1 40 40 TRP CD1 C 13 126.371 0.300 . 1 . . . . 40 TRP CD1 . 11211 1 421 . 1 1 40 40 TRP CE3 C 13 120.677 0.300 . 1 . . . . 40 TRP CE3 . 11211 1 422 . 1 1 40 40 TRP CH2 C 13 124.694 0.300 . 1 . . . . 40 TRP CH2 . 11211 1 423 . 1 1 40 40 TRP CZ2 C 13 113.821 0.300 . 1 . . . . 40 TRP CZ2 . 11211 1 424 . 1 1 40 40 TRP CZ3 C 13 121.261 0.300 . 1 . . . . 40 TRP CZ3 . 11211 1 425 . 1 1 40 40 TRP N N 15 122.257 0.300 . 1 . . . . 40 TRP N . 11211 1 426 . 1 1 40 40 TRP NE1 N 15 128.446 0.300 . 1 . . . . 40 TRP NE1 . 11211 1 427 . 1 1 41 41 PHE H H 1 9.613 0.030 . 1 . . . . 41 PHE H . 11211 1 428 . 1 1 41 41 PHE HA H 1 5.063 0.030 . 1 . . . . 41 PHE HA . 11211 1 429 . 1 1 41 41 PHE HB2 H 1 3.051 0.030 . 2 . . . . 41 PHE HB2 . 11211 1 430 . 1 1 41 41 PHE HB3 H 1 2.284 0.030 . 2 . . . . 41 PHE HB3 . 11211 1 431 . 1 1 41 41 PHE HD1 H 1 6.789 0.030 . 1 . . . . 41 PHE HD1 . 11211 1 432 . 1 1 41 41 PHE HD2 H 1 6.789 0.030 . 1 . . . . 41 PHE HD2 . 11211 1 433 . 1 1 41 41 PHE HE1 H 1 7.120 0.030 . 1 . . . . 41 PHE HE1 . 11211 1 434 . 1 1 41 41 PHE HE2 H 1 7.120 0.030 . 1 . . . . 41 PHE HE2 . 11211 1 435 . 1 1 41 41 PHE HZ H 1 7.126 0.030 . 1 . . . . 41 PHE HZ . 11211 1 436 . 1 1 41 41 PHE C C 13 174.348 0.300 . 1 . . . . 41 PHE C . 11211 1 437 . 1 1 41 41 PHE CA C 13 56.620 0.300 . 1 . . . . 41 PHE CA . 11211 1 438 . 1 1 41 41 PHE CB C 13 43.147 0.300 . 1 . . . . 41 PHE CB . 11211 1 439 . 1 1 41 41 PHE CD1 C 13 131.202 0.300 . 1 . . . . 41 PHE CD1 . 11211 1 440 . 1 1 41 41 PHE CD2 C 13 131.202 0.300 . 1 . . . . 41 PHE CD2 . 11211 1 441 . 1 1 41 41 PHE CE1 C 13 131.085 0.300 . 1 . . . . 41 PHE CE1 . 11211 1 442 . 1 1 41 41 PHE CE2 C 13 131.085 0.300 . 1 . . . . 41 PHE CE2 . 11211 1 443 . 1 1 41 41 PHE CZ C 13 129.078 0.300 . 1 . . . . 41 PHE CZ . 11211 1 444 . 1 1 41 41 PHE N N 15 117.293 0.300 . 1 . . . . 41 PHE N . 11211 1 445 . 1 1 42 42 LYS H H 1 8.935 0.030 . 1 . . . . 42 LYS H . 11211 1 446 . 1 1 42 42 LYS HA H 1 4.357 0.030 . 1 . . . . 42 LYS HA . 11211 1 447 . 1 1 42 42 LYS HB2 H 1 1.804 0.030 . 2 . . . . 42 LYS HB2 . 11211 1 448 . 1 1 42 42 LYS HB3 H 1 1.414 0.030 . 2 . . . . 42 LYS HB3 . 11211 1 449 . 1 1 42 42 LYS HD2 H 1 1.616 0.030 . 2 . . . . 42 LYS HD2 . 11211 1 450 . 1 1 42 42 LYS HD3 H 1 1.834 0.030 . 2 . . . . 42 LYS HD3 . 11211 1 451 . 1 1 42 42 LYS HE2 H 1 2.834 0.030 . 2 . . . . 42 LYS HE2 . 11211 1 452 . 1 1 42 42 LYS HE3 H 1 2.934 0.030 . 2 . . . . 42 LYS HE3 . 11211 1 453 . 1 1 42 42 LYS HG2 H 1 0.565 0.030 . 1 . . . . 42 LYS HG2 . 11211 1 454 . 1 1 42 42 LYS HG3 H 1 0.565 0.030 . 1 . . . . 42 LYS HG3 . 11211 1 455 . 1 1 42 42 LYS C C 13 176.568 0.300 . 1 . . . . 42 LYS C . 11211 1 456 . 1 1 42 42 LYS CA C 13 54.461 0.300 . 1 . . . . 42 LYS CA . 11211 1 457 . 1 1 42 42 LYS CB C 13 34.533 0.300 . 1 . . . . 42 LYS CB . 11211 1 458 . 1 1 42 42 LYS CD C 13 29.961 0.300 . 1 . . . . 42 LYS CD . 11211 1 459 . 1 1 42 42 LYS CE C 13 42.713 0.300 . 1 . . . . 42 LYS CE . 11211 1 460 . 1 1 42 42 LYS CG C 13 25.506 0.300 . 1 . . . . 42 LYS CG . 11211 1 461 . 1 1 42 42 LYS N N 15 120.706 0.300 . 1 . . . . 42 LYS N . 11211 1 462 . 1 1 43 43 ASN H H 1 9.836 0.030 . 1 . . . . 43 ASN H . 11211 1 463 . 1 1 43 43 ASN HA H 1 4.491 0.030 . 1 . . . . 43 ASN HA . 11211 1 464 . 1 1 43 43 ASN HB2 H 1 3.115 0.030 . 2 . . . . 43 ASN HB2 . 11211 1 465 . 1 1 43 43 ASN HB3 H 1 2.928 0.030 . 2 . . . . 43 ASN HB3 . 11211 1 466 . 1 1 43 43 ASN HD21 H 1 7.443 0.030 . 2 . . . . 43 ASN HD21 . 11211 1 467 . 1 1 43 43 ASN HD22 H 1 7.875 0.030 . 2 . . . . 43 ASN HD22 . 11211 1 468 . 1 1 43 43 ASN C C 13 175.685 0.300 . 1 . . . . 43 ASN C . 11211 1 469 . 1 1 43 43 ASN CA C 13 54.038 0.300 . 1 . . . . 43 ASN CA . 11211 1 470 . 1 1 43 43 ASN CB C 13 37.247 0.300 . 1 . . . . 43 ASN CB . 11211 1 471 . 1 1 43 43 ASN N N 15 128.782 0.300 . 1 . . . . 43 ASN N . 11211 1 472 . 1 1 43 43 ASN ND2 N 15 115.265 0.300 . 1 . . . . 43 ASN ND2 . 11211 1 473 . 1 1 44 44 GLY H H 1 8.533 0.030 . 1 . . . . 44 GLY H . 11211 1 474 . 1 1 44 44 GLY HA2 H 1 3.460 0.030 . 2 . . . . 44 GLY HA2 . 11211 1 475 . 1 1 44 44 GLY HA3 H 1 4.116 0.030 . 2 . . . . 44 GLY HA3 . 11211 1 476 . 1 1 44 44 GLY C C 13 173.316 0.300 . 1 . . . . 44 GLY C . 11211 1 477 . 1 1 44 44 GLY CA C 13 45.638 0.300 . 1 . . . . 44 GLY CA . 11211 1 478 . 1 1 44 44 GLY N N 15 102.002 0.300 . 1 . . . . 44 GLY N . 11211 1 479 . 1 1 45 45 GLU H H 1 8.098 0.030 . 1 . . . . 45 GLU H . 11211 1 480 . 1 1 45 45 GLU HA H 1 4.792 0.030 . 1 . . . . 45 GLU HA . 11211 1 481 . 1 1 45 45 GLU HB2 H 1 2.162 0.030 . 2 . . . . 45 GLU HB2 . 11211 1 482 . 1 1 45 45 GLU HB3 H 1 2.096 0.030 . 2 . . . . 45 GLU HB3 . 11211 1 483 . 1 1 45 45 GLU HG2 H 1 2.341 0.030 . 2 . . . . 45 GLU HG2 . 11211 1 484 . 1 1 45 45 GLU HG3 H 1 2.243 0.030 . 2 . . . . 45 GLU HG3 . 11211 1 485 . 1 1 45 45 GLU C C 13 176.022 0.300 . 1 . . . . 45 GLU C . 11211 1 486 . 1 1 45 45 GLU CA C 13 54.799 0.300 . 1 . . . . 45 GLU CA . 11211 1 487 . 1 1 45 45 GLU CB C 13 31.306 0.300 . 1 . . . . 45 GLU CB . 11211 1 488 . 1 1 45 45 GLU CG C 13 36.236 0.300 . 1 . . . . 45 GLU CG . 11211 1 489 . 1 1 45 45 GLU N N 15 122.098 0.300 . 1 . . . . 45 GLU N . 11211 1 490 . 1 1 46 46 GLU H H 1 9.138 0.030 . 1 . . . . 46 GLU H . 11211 1 491 . 1 1 46 46 GLU HA H 1 3.680 0.030 . 1 . . . . 46 GLU HA . 11211 1 492 . 1 1 46 46 GLU HB2 H 1 1.796 0.030 . 2 . . . . 46 GLU HB2 . 11211 1 493 . 1 1 46 46 GLU HB3 H 1 1.703 0.030 . 2 . . . . 46 GLU HB3 . 11211 1 494 . 1 1 46 46 GLU HG2 H 1 1.937 0.030 . 2 . . . . 46 GLU HG2 . 11211 1 495 . 1 1 46 46 GLU HG3 H 1 1.748 0.030 . 2 . . . . 46 GLU HG3 . 11211 1 496 . 1 1 46 46 GLU C C 13 176.383 0.300 . 1 . . . . 46 GLU C . 11211 1 497 . 1 1 46 46 GLU CA C 13 57.569 0.300 . 1 . . . . 46 GLU CA . 11211 1 498 . 1 1 46 46 GLU CB C 13 29.669 0.300 . 1 . . . . 46 GLU CB . 11211 1 499 . 1 1 46 46 GLU CG C 13 35.675 0.300 . 1 . . . . 46 GLU CG . 11211 1 500 . 1 1 46 46 GLU N N 15 129.660 0.300 . 1 . . . . 46 GLU N . 11211 1 501 . 1 1 47 47 ILE H H 1 8.770 0.030 . 1 . . . . 47 ILE H . 11211 1 502 . 1 1 47 47 ILE HA H 1 3.853 0.030 . 1 . . . . 47 ILE HA . 11211 1 503 . 1 1 47 47 ILE HB H 1 1.524 0.030 . 1 . . . . 47 ILE HB . 11211 1 504 . 1 1 47 47 ILE HD11 H 1 0.678 0.030 . 1 . . . . 47 ILE HD1 . 11211 1 505 . 1 1 47 47 ILE HD12 H 1 0.678 0.030 . 1 . . . . 47 ILE HD1 . 11211 1 506 . 1 1 47 47 ILE HD13 H 1 0.678 0.030 . 1 . . . . 47 ILE HD1 . 11211 1 507 . 1 1 47 47 ILE HG12 H 1 0.823 0.030 . 2 . . . . 47 ILE HG12 . 11211 1 508 . 1 1 47 47 ILE HG13 H 1 1.554 0.030 . 2 . . . . 47 ILE HG13 . 11211 1 509 . 1 1 47 47 ILE HG21 H 1 0.524 0.030 . 1 . . . . 47 ILE HG2 . 11211 1 510 . 1 1 47 47 ILE HG22 H 1 0.524 0.030 . 1 . . . . 47 ILE HG2 . 11211 1 511 . 1 1 47 47 ILE HG23 H 1 0.524 0.030 . 1 . . . . 47 ILE HG2 . 11211 1 512 . 1 1 47 47 ILE C C 13 174.350 0.300 . 1 . . . . 47 ILE C . 11211 1 513 . 1 1 47 47 ILE CA C 13 61.476 0.300 . 1 . . . . 47 ILE CA . 11211 1 514 . 1 1 47 47 ILE CB C 13 38.610 0.300 . 1 . . . . 47 ILE CB . 11211 1 515 . 1 1 47 47 ILE CD1 C 13 14.359 0.300 . 1 . . . . 47 ILE CD1 . 11211 1 516 . 1 1 47 47 ILE CG1 C 13 27.440 0.300 . 1 . . . . 47 ILE CG1 . 11211 1 517 . 1 1 47 47 ILE CG2 C 13 17.040 0.300 . 1 . . . . 47 ILE CG2 . 11211 1 518 . 1 1 47 47 ILE N N 15 128.131 0.300 . 1 . . . . 47 ILE N . 11211 1 519 . 1 1 48 48 ILE H H 1 8.350 0.030 . 1 . . . . 48 ILE H . 11211 1 520 . 1 1 48 48 ILE HA H 1 4.602 0.030 . 1 . . . . 48 ILE HA . 11211 1 521 . 1 1 48 48 ILE HB H 1 1.911 0.030 . 1 . . . . 48 ILE HB . 11211 1 522 . 1 1 48 48 ILE HD11 H 1 0.784 0.030 . 1 . . . . 48 ILE HD1 . 11211 1 523 . 1 1 48 48 ILE HD12 H 1 0.784 0.030 . 1 . . . . 48 ILE HD1 . 11211 1 524 . 1 1 48 48 ILE HD13 H 1 0.784 0.030 . 1 . . . . 48 ILE HD1 . 11211 1 525 . 1 1 48 48 ILE HG12 H 1 1.393 0.030 . 2 . . . . 48 ILE HG12 . 11211 1 526 . 1 1 48 48 ILE HG13 H 1 1.137 0.030 . 2 . . . . 48 ILE HG13 . 11211 1 527 . 1 1 48 48 ILE HG21 H 1 0.905 0.030 . 1 . . . . 48 ILE HG2 . 11211 1 528 . 1 1 48 48 ILE HG22 H 1 0.905 0.030 . 1 . . . . 48 ILE HG2 . 11211 1 529 . 1 1 48 48 ILE HG23 H 1 0.905 0.030 . 1 . . . . 48 ILE HG2 . 11211 1 530 . 1 1 48 48 ILE C C 13 174.553 0.300 . 1 . . . . 48 ILE C . 11211 1 531 . 1 1 48 48 ILE CA C 13 57.434 0.300 . 1 . . . . 48 ILE CA . 11211 1 532 . 1 1 48 48 ILE CB C 13 38.180 0.300 . 1 . . . . 48 ILE CB . 11211 1 533 . 1 1 48 48 ILE CD1 C 13 12.213 0.300 . 1 . . . . 48 ILE CD1 . 11211 1 534 . 1 1 48 48 ILE CG1 C 13 26.620 0.300 . 1 . . . . 48 ILE CG1 . 11211 1 535 . 1 1 48 48 ILE CG2 C 13 17.064 0.300 . 1 . . . . 48 ILE CG2 . 11211 1 536 . 1 1 48 48 ILE N N 15 129.295 0.300 . 1 . . . . 48 ILE N . 11211 1 537 . 1 1 49 49 PRO HA H 1 4.526 0.030 . 1 . . . . 49 PRO HA . 11211 1 538 . 1 1 49 49 PRO HB2 H 1 2.095 0.030 . 2 . . . . 49 PRO HB2 . 11211 1 539 . 1 1 49 49 PRO HB3 H 1 2.283 0.030 . 2 . . . . 49 PRO HB3 . 11211 1 540 . 1 1 49 49 PRO HD2 H 1 3.853 0.030 . 2 . . . . 49 PRO HD2 . 11211 1 541 . 1 1 49 49 PRO HD3 H 1 3.802 0.030 . 2 . . . . 49 PRO HD3 . 11211 1 542 . 1 1 49 49 PRO HG2 H 1 1.759 0.030 . 2 . . . . 49 PRO HG2 . 11211 1 543 . 1 1 49 49 PRO HG3 H 1 2.116 0.030 . 2 . . . . 49 PRO HG3 . 11211 1 544 . 1 1 49 49 PRO C C 13 176.338 0.300 . 1 . . . . 49 PRO C . 11211 1 545 . 1 1 49 49 PRO CA C 13 63.104 0.300 . 1 . . . . 49 PRO CA . 11211 1 546 . 1 1 49 49 PRO CB C 13 32.539 0.300 . 1 . . . . 49 PRO CB . 11211 1 547 . 1 1 49 49 PRO CD C 13 50.927 0.300 . 1 . . . . 49 PRO CD . 11211 1 548 . 1 1 49 49 PRO CG C 13 27.532 0.300 . 1 . . . . 49 PRO CG . 11211 1 549 . 1 1 50 50 GLY H H 1 8.246 0.030 . 1 . . . . 50 GLY H . 11211 1 550 . 1 1 50 50 GLY HA2 H 1 4.299 0.030 . 2 . . . . 50 GLY HA2 . 11211 1 551 . 1 1 50 50 GLY HA3 H 1 4.251 0.030 . 2 . . . . 50 GLY HA3 . 11211 1 552 . 1 1 50 50 GLY C C 13 172.678 0.300 . 1 . . . . 50 GLY C . 11211 1 553 . 1 1 50 50 GLY CA C 13 45.031 0.300 . 1 . . . . 50 GLY CA . 11211 1 554 . 1 1 50 50 GLY N N 15 109.605 0.300 . 1 . . . . 50 GLY N . 11211 1 555 . 1 1 51 51 PRO HA H 1 4.381 0.030 . 1 . . . . 51 PRO HA . 11211 1 556 . 1 1 51 51 PRO HB2 H 1 2.395 0.030 . 2 . . . . 51 PRO HB2 . 11211 1 557 . 1 1 51 51 PRO HB3 H 1 1.954 0.030 . 2 . . . . 51 PRO HB3 . 11211 1 558 . 1 1 51 51 PRO HD2 H 1 3.714 0.030 . 2 . . . . 51 PRO HD2 . 11211 1 559 . 1 1 51 51 PRO HD3 H 1 3.643 0.030 . 2 . . . . 51 PRO HD3 . 11211 1 560 . 1 1 51 51 PRO HG2 H 1 2.065 0.030 . 1 . . . . 51 PRO HG2 . 11211 1 561 . 1 1 51 51 PRO HG3 H 1 2.065 0.030 . 1 . . . . 51 PRO HG3 . 11211 1 562 . 1 1 51 51 PRO C C 13 177.875 0.300 . 1 . . . . 51 PRO C . 11211 1 563 . 1 1 51 51 PRO CA C 13 64.620 0.300 . 1 . . . . 51 PRO CA . 11211 1 564 . 1 1 51 51 PRO CB C 13 32.221 0.300 . 1 . . . . 51 PRO CB . 11211 1 565 . 1 1 51 51 PRO CD C 13 49.641 0.300 . 1 . . . . 51 PRO CD . 11211 1 566 . 1 1 51 51 PRO CG C 13 27.319 0.300 . 1 . . . . 51 PRO CG . 11211 1 567 . 1 1 52 52 LYS H H 1 8.630 0.030 . 1 . . . . 52 LYS H . 11211 1 568 . 1 1 52 52 LYS HA H 1 4.391 0.030 . 1 . . . . 52 LYS HA . 11211 1 569 . 1 1 52 52 LYS HB2 H 1 1.750 0.030 . 2 . . . . 52 LYS HB2 . 11211 1 570 . 1 1 52 52 LYS HB3 H 1 2.020 0.030 . 2 . . . . 52 LYS HB3 . 11211 1 571 . 1 1 52 52 LYS HD2 H 1 1.669 0.030 . 1 . . . . 52 LYS HD2 . 11211 1 572 . 1 1 52 52 LYS HD3 H 1 1.669 0.030 . 1 . . . . 52 LYS HD3 . 11211 1 573 . 1 1 52 52 LYS HE2 H 1 2.968 0.030 . 1 . . . . 52 LYS HE2 . 11211 1 574 . 1 1 52 52 LYS HE3 H 1 2.968 0.030 . 1 . . . . 52 LYS HE3 . 11211 1 575 . 1 1 52 52 LYS HG2 H 1 1.411 0.030 . 2 . . . . 52 LYS HG2 . 11211 1 576 . 1 1 52 52 LYS HG3 H 1 1.353 0.030 . 2 . . . . 52 LYS HG3 . 11211 1 577 . 1 1 52 52 LYS C C 13 176.249 0.300 . 1 . . . . 52 LYS C . 11211 1 578 . 1 1 52 52 LYS CA C 13 55.519 0.300 . 1 . . . . 52 LYS CA . 11211 1 579 . 1 1 52 52 LYS CB C 13 31.537 0.300 . 1 . . . . 52 LYS CB . 11211 1 580 . 1 1 52 52 LYS CD C 13 28.945 0.300 . 1 . . . . 52 LYS CD . 11211 1 581 . 1 1 52 52 LYS CE C 13 42.157 0.300 . 1 . . . . 52 LYS CE . 11211 1 582 . 1 1 52 52 LYS CG C 13 25.151 0.300 . 1 . . . . 52 LYS CG . 11211 1 583 . 1 1 52 52 LYS N N 15 116.808 0.300 . 1 . . . . 52 LYS N . 11211 1 584 . 1 1 53 53 SER H H 1 7.591 0.030 . 1 . . . . 53 SER H . 11211 1 585 . 1 1 53 53 SER HA H 1 4.410 0.030 . 1 . . . . 53 SER HA . 11211 1 586 . 1 1 53 53 SER HB2 H 1 4.077 0.030 . 2 . . . . 53 SER HB2 . 11211 1 587 . 1 1 53 53 SER HB3 H 1 3.987 0.030 . 2 . . . . 53 SER HB3 . 11211 1 588 . 1 1 53 53 SER C C 13 175.425 0.300 . 1 . . . . 53 SER C . 11211 1 589 . 1 1 53 53 SER CA C 13 57.854 0.300 . 1 . . . . 53 SER CA . 11211 1 590 . 1 1 53 53 SER CB C 13 64.552 0.300 . 1 . . . . 53 SER CB . 11211 1 591 . 1 1 53 53 SER N N 15 114.777 0.300 . 1 . . . . 53 SER N . 11211 1 592 . 1 1 54 54 ARG H H 1 8.543 0.030 . 1 . . . . 54 ARG H . 11211 1 593 . 1 1 54 54 ARG HA H 1 4.151 0.030 . 1 . . . . 54 ARG HA . 11211 1 594 . 1 1 54 54 ARG HB2 H 1 1.756 0.030 . 2 . . . . 54 ARG HB2 . 11211 1 595 . 1 1 54 54 ARG HB3 H 1 1.450 0.030 . 2 . . . . 54 ARG HB3 . 11211 1 596 . 1 1 54 54 ARG HD2 H 1 2.931 0.030 . 2 . . . . 54 ARG HD2 . 11211 1 597 . 1 1 54 54 ARG HD3 H 1 3.035 0.030 . 2 . . . . 54 ARG HD3 . 11211 1 598 . 1 1 54 54 ARG HE H 1 7.332 0.030 . 1 . . . . 54 ARG HE . 11211 1 599 . 1 1 54 54 ARG HG2 H 1 1.440 0.030 . 1 . . . . 54 ARG HG2 . 11211 1 600 . 1 1 54 54 ARG HG3 H 1 1.440 0.030 . 1 . . . . 54 ARG HG3 . 11211 1 601 . 1 1 54 54 ARG C C 13 175.404 0.300 . 1 . . . . 54 ARG C . 11211 1 602 . 1 1 54 54 ARG CA C 13 57.438 0.300 . 1 . . . . 54 ARG CA . 11211 1 603 . 1 1 54 54 ARG CB C 13 29.705 0.300 . 1 . . . . 54 ARG CB . 11211 1 604 . 1 1 54 54 ARG CD C 13 42.436 0.300 . 1 . . . . 54 ARG CD . 11211 1 605 . 1 1 54 54 ARG CG C 13 28.873 0.300 . 1 . . . . 54 ARG CG . 11211 1 606 . 1 1 54 54 ARG NE N 15 83.956 0.300 . 1 . . . . 54 ARG NE . 11211 1 607 . 1 1 55 55 TYR H H 1 7.997 0.030 . 1 . . . . 55 TYR H . 11211 1 608 . 1 1 55 55 TYR HA H 1 5.118 0.030 . 1 . . . . 55 TYR HA . 11211 1 609 . 1 1 55 55 TYR HB2 H 1 2.655 0.030 . 1 . . . . 55 TYR HB2 . 11211 1 610 . 1 1 55 55 TYR HB3 H 1 2.655 0.030 . 1 . . . . 55 TYR HB3 . 11211 1 611 . 1 1 55 55 TYR HD1 H 1 6.957 0.030 . 1 . . . . 55 TYR HD1 . 11211 1 612 . 1 1 55 55 TYR HD2 H 1 6.957 0.030 . 1 . . . . 55 TYR HD2 . 11211 1 613 . 1 1 55 55 TYR HE1 H 1 6.885 0.030 . 1 . . . . 55 TYR HE1 . 11211 1 614 . 1 1 55 55 TYR HE2 H 1 6.885 0.030 . 1 . . . . 55 TYR HE2 . 11211 1 615 . 1 1 55 55 TYR C C 13 175.431 0.300 . 1 . . . . 55 TYR C . 11211 1 616 . 1 1 55 55 TYR CA C 13 56.021 0.300 . 1 . . . . 55 TYR CA . 11211 1 617 . 1 1 55 55 TYR CB C 13 39.702 0.300 . 1 . . . . 55 TYR CB . 11211 1 618 . 1 1 55 55 TYR CD1 C 13 132.666 0.300 . 1 . . . . 55 TYR CD1 . 11211 1 619 . 1 1 55 55 TYR CD2 C 13 132.666 0.300 . 1 . . . . 55 TYR CD2 . 11211 1 620 . 1 1 55 55 TYR CE1 C 13 118.450 0.300 . 1 . . . . 55 TYR CE1 . 11211 1 621 . 1 1 55 55 TYR CE2 C 13 118.450 0.300 . 1 . . . . 55 TYR CE2 . 11211 1 622 . 1 1 55 55 TYR N N 15 117.971 0.300 . 1 . . . . 55 TYR N . 11211 1 623 . 1 1 56 56 ARG H H 1 8.750 0.030 . 1 . . . . 56 ARG H . 11211 1 624 . 1 1 56 56 ARG HA H 1 4.548 0.030 . 1 . . . . 56 ARG HA . 11211 1 625 . 1 1 56 56 ARG HB2 H 1 1.712 0.030 . 2 . . . . 56 ARG HB2 . 11211 1 626 . 1 1 56 56 ARG HB3 H 1 1.642 0.030 . 2 . . . . 56 ARG HB3 . 11211 1 627 . 1 1 56 56 ARG HD2 H 1 3.145 0.030 . 2 . . . . 56 ARG HD2 . 11211 1 628 . 1 1 56 56 ARG HD3 H 1 3.092 0.030 . 2 . . . . 56 ARG HD3 . 11211 1 629 . 1 1 56 56 ARG HG2 H 1 1.498 0.030 . 2 . . . . 56 ARG HG2 . 11211 1 630 . 1 1 56 56 ARG HG3 H 1 1.568 0.030 . 2 . . . . 56 ARG HG3 . 11211 1 631 . 1 1 56 56 ARG C C 13 173.571 0.300 . 1 . . . . 56 ARG C . 11211 1 632 . 1 1 56 56 ARG CA C 13 54.712 0.300 . 1 . . . . 56 ARG CA . 11211 1 633 . 1 1 56 56 ARG CB C 13 32.974 0.300 . 1 . . . . 56 ARG CB . 11211 1 634 . 1 1 56 56 ARG CD C 13 43.379 0.300 . 1 . . . . 56 ARG CD . 11211 1 635 . 1 1 56 56 ARG CG C 13 27.295 0.300 . 1 . . . . 56 ARG CG . 11211 1 636 . 1 1 56 56 ARG N N 15 121.351 0.300 . 1 . . . . 56 ARG N . 11211 1 637 . 1 1 57 57 ILE H H 1 8.383 0.030 . 1 . . . . 57 ILE H . 11211 1 638 . 1 1 57 57 ILE HA H 1 4.820 0.030 . 1 . . . . 57 ILE HA . 11211 1 639 . 1 1 57 57 ILE HB H 1 1.506 0.030 . 1 . . . . 57 ILE HB . 11211 1 640 . 1 1 57 57 ILE HD11 H 1 0.693 0.030 . 1 . . . . 57 ILE HD1 . 11211 1 641 . 1 1 57 57 ILE HD12 H 1 0.693 0.030 . 1 . . . . 57 ILE HD1 . 11211 1 642 . 1 1 57 57 ILE HD13 H 1 0.693 0.030 . 1 . . . . 57 ILE HD1 . 11211 1 643 . 1 1 57 57 ILE HG12 H 1 1.176 0.030 . 2 . . . . 57 ILE HG12 . 11211 1 644 . 1 1 57 57 ILE HG13 H 1 0.479 0.030 . 2 . . . . 57 ILE HG13 . 11211 1 645 . 1 1 57 57 ILE HG21 H 1 0.872 0.030 . 1 . . . . 57 ILE HG2 . 11211 1 646 . 1 1 57 57 ILE HG22 H 1 0.872 0.030 . 1 . . . . 57 ILE HG2 . 11211 1 647 . 1 1 57 57 ILE HG23 H 1 0.872 0.030 . 1 . . . . 57 ILE HG2 . 11211 1 648 . 1 1 57 57 ILE C C 13 176.178 0.300 . 1 . . . . 57 ILE C . 11211 1 649 . 1 1 57 57 ILE CA C 13 60.012 0.300 . 1 . . . . 57 ILE CA . 11211 1 650 . 1 1 57 57 ILE CB C 13 40.873 0.300 . 1 . . . . 57 ILE CB . 11211 1 651 . 1 1 57 57 ILE CD1 C 13 13.763 0.300 . 1 . . . . 57 ILE CD1 . 11211 1 652 . 1 1 57 57 ILE CG1 C 13 28.318 0.300 . 1 . . . . 57 ILE CG1 . 11211 1 653 . 1 1 57 57 ILE CG2 C 13 18.657 0.300 . 1 . . . . 57 ILE CG2 . 11211 1 654 . 1 1 57 57 ILE N N 15 122.580 0.300 . 1 . . . . 57 ILE N . 11211 1 655 . 1 1 58 58 ARG H H 1 9.545 0.030 . 1 . . . . 58 ARG H . 11211 1 656 . 1 1 58 58 ARG HA H 1 4.815 0.030 . 1 . . . . 58 ARG HA . 11211 1 657 . 1 1 58 58 ARG HB2 H 1 1.722 0.030 . 2 . . . . 58 ARG HB2 . 11211 1 658 . 1 1 58 58 ARG HB3 H 1 1.576 0.030 . 2 . . . . 58 ARG HB3 . 11211 1 659 . 1 1 58 58 ARG HD2 H 1 3.160 0.030 . 2 . . . . 58 ARG HD2 . 11211 1 660 . 1 1 58 58 ARG HD3 H 1 3.076 0.030 . 2 . . . . 58 ARG HD3 . 11211 1 661 . 1 1 58 58 ARG HG2 H 1 1.491 0.030 . 2 . . . . 58 ARG HG2 . 11211 1 662 . 1 1 58 58 ARG HG3 H 1 1.403 0.030 . 2 . . . . 58 ARG HG3 . 11211 1 663 . 1 1 58 58 ARG C C 13 174.233 0.300 . 1 . . . . 58 ARG C . 11211 1 664 . 1 1 58 58 ARG CA C 13 54.646 0.300 . 1 . . . . 58 ARG CA . 11211 1 665 . 1 1 58 58 ARG CB C 13 34.808 0.300 . 1 . . . . 58 ARG CB . 11211 1 666 . 1 1 58 58 ARG CD C 13 43.370 0.300 . 1 . . . . 58 ARG CD . 11211 1 667 . 1 1 58 58 ARG CG C 13 27.920 0.300 . 1 . . . . 58 ARG CG . 11211 1 668 . 1 1 58 58 ARG N N 15 128.262 0.300 . 1 . . . . 58 ARG N . 11211 1 669 . 1 1 59 59 VAL H H 1 8.409 0.030 . 1 . . . . 59 VAL H . 11211 1 670 . 1 1 59 59 VAL HA H 1 4.412 0.030 . 1 . . . . 59 VAL HA . 11211 1 671 . 1 1 59 59 VAL HB H 1 1.883 0.030 . 1 . . . . 59 VAL HB . 11211 1 672 . 1 1 59 59 VAL HG11 H 1 0.949 0.030 . 1 . . . . 59 VAL HG1 . 11211 1 673 . 1 1 59 59 VAL HG12 H 1 0.949 0.030 . 1 . . . . 59 VAL HG1 . 11211 1 674 . 1 1 59 59 VAL HG13 H 1 0.949 0.030 . 1 . . . . 59 VAL HG1 . 11211 1 675 . 1 1 59 59 VAL HG21 H 1 0.671 0.030 . 1 . . . . 59 VAL HG2 . 11211 1 676 . 1 1 59 59 VAL HG22 H 1 0.671 0.030 . 1 . . . . 59 VAL HG2 . 11211 1 677 . 1 1 59 59 VAL HG23 H 1 0.671 0.030 . 1 . . . . 59 VAL HG2 . 11211 1 678 . 1 1 59 59 VAL C C 13 175.367 0.300 . 1 . . . . 59 VAL C . 11211 1 679 . 1 1 59 59 VAL CA C 13 61.255 0.300 . 1 . . . . 59 VAL CA . 11211 1 680 . 1 1 59 59 VAL CB C 13 34.192 0.300 . 1 . . . . 59 VAL CB . 11211 1 681 . 1 1 59 59 VAL CG1 C 13 21.342 0.300 . 2 . . . . 59 VAL CG1 . 11211 1 682 . 1 1 59 59 VAL CG2 C 13 20.294 0.300 . 2 . . . . 59 VAL CG2 . 11211 1 683 . 1 1 59 59 VAL N N 15 124.376 0.300 . 1 . . . . 59 VAL N . 11211 1 684 . 1 1 60 60 GLU H H 1 9.114 0.030 . 1 . . . . 60 GLU H . 11211 1 685 . 1 1 60 60 GLU HA H 1 4.540 0.030 . 1 . . . . 60 GLU HA . 11211 1 686 . 1 1 60 60 GLU HB2 H 1 1.739 0.030 . 2 . . . . 60 GLU HB2 . 11211 1 687 . 1 1 60 60 GLU HB3 H 1 1.905 0.030 . 2 . . . . 60 GLU HB3 . 11211 1 688 . 1 1 60 60 GLU HG2 H 1 2.037 0.030 . 2 . . . . 60 GLU HG2 . 11211 1 689 . 1 1 60 60 GLU HG3 H 1 2.107 0.030 . 2 . . . . 60 GLU HG3 . 11211 1 690 . 1 1 60 60 GLU C C 13 176.281 0.300 . 1 . . . . 60 GLU C . 11211 1 691 . 1 1 60 60 GLU CA C 13 54.077 0.300 . 1 . . . . 60 GLU CA . 11211 1 692 . 1 1 60 60 GLU CB C 13 30.976 0.300 . 1 . . . . 60 GLU CB . 11211 1 693 . 1 1 60 60 GLU CG C 13 35.771 0.300 . 1 . . . . 60 GLU CG . 11211 1 694 . 1 1 60 60 GLU N N 15 129.668 0.300 . 1 . . . . 60 GLU N . 11211 1 695 . 1 1 61 61 GLY H H 1 9.139 0.030 . 1 . . . . 61 GLY H . 11211 1 696 . 1 1 61 61 GLY HA2 H 1 4.059 0.030 . 2 . . . . 61 GLY HA2 . 11211 1 697 . 1 1 61 61 GLY HA3 H 1 3.641 0.030 . 2 . . . . 61 GLY HA3 . 11211 1 698 . 1 1 61 61 GLY C C 13 175.108 0.300 . 1 . . . . 61 GLY C . 11211 1 699 . 1 1 61 61 GLY CA C 13 47.976 0.300 . 1 . . . . 61 GLY CA . 11211 1 700 . 1 1 61 61 GLY N N 15 116.597 0.300 . 1 . . . . 61 GLY N . 11211 1 701 . 1 1 62 62 LYS H H 1 9.114 0.030 . 1 . . . . 62 LYS H . 11211 1 702 . 1 1 62 62 LYS HA H 1 4.115 0.030 . 1 . . . . 62 LYS HA . 11211 1 703 . 1 1 62 62 LYS HB2 H 1 2.738 0.030 . 2 . . . . 62 LYS HB2 . 11211 1 704 . 1 1 62 62 LYS HB3 H 1 1.578 0.030 . 2 . . . . 62 LYS HB3 . 11211 1 705 . 1 1 62 62 LYS HD2 H 1 1.555 0.030 . 2 . . . . 62 LYS HD2 . 11211 1 706 . 1 1 62 62 LYS HD3 H 1 1.710 0.030 . 2 . . . . 62 LYS HD3 . 11211 1 707 . 1 1 62 62 LYS HE2 H 1 2.818 0.030 . 2 . . . . 62 LYS HE2 . 11211 1 708 . 1 1 62 62 LYS HE3 H 1 2.911 0.030 . 2 . . . . 62 LYS HE3 . 11211 1 709 . 1 1 62 62 LYS HG2 H 1 0.951 0.030 . 2 . . . . 62 LYS HG2 . 11211 1 710 . 1 1 62 62 LYS HG3 H 1 1.598 0.030 . 2 . . . . 62 LYS HG3 . 11211 1 711 . 1 1 62 62 LYS C C 13 175.096 0.300 . 1 . . . . 62 LYS C . 11211 1 712 . 1 1 62 62 LYS CA C 13 57.708 0.300 . 1 . . . . 62 LYS CA . 11211 1 713 . 1 1 62 62 LYS CB C 13 32.815 0.300 . 1 . . . . 62 LYS CB . 11211 1 714 . 1 1 62 62 LYS CD C 13 28.835 0.300 . 1 . . . . 62 LYS CD . 11211 1 715 . 1 1 62 62 LYS CE C 13 42.493 0.300 . 1 . . . . 62 LYS CE . 11211 1 716 . 1 1 62 62 LYS CG C 13 26.229 0.300 . 1 . . . . 62 LYS CG . 11211 1 717 . 1 1 62 62 LYS N N 15 130.673 0.300 . 1 . . . . 62 LYS N . 11211 1 718 . 1 1 63 63 LYS H H 1 8.191 0.030 . 1 . . . . 63 LYS H . 11211 1 719 . 1 1 63 63 LYS HA H 1 5.008 0.030 . 1 . . . . 63 LYS HA . 11211 1 720 . 1 1 63 63 LYS HB2 H 1 1.949 0.030 . 2 . . . . 63 LYS HB2 . 11211 1 721 . 1 1 63 63 LYS HB3 H 1 1.877 0.030 . 2 . . . . 63 LYS HB3 . 11211 1 722 . 1 1 63 63 LYS HD2 H 1 1.714 0.030 . 2 . . . . 63 LYS HD2 . 11211 1 723 . 1 1 63 63 LYS HD3 H 1 1.668 0.030 . 2 . . . . 63 LYS HD3 . 11211 1 724 . 1 1 63 63 LYS HE2 H 1 2.973 0.030 . 2 . . . . 63 LYS HE2 . 11211 1 725 . 1 1 63 63 LYS HE3 H 1 2.891 0.030 . 2 . . . . 63 LYS HE3 . 11211 1 726 . 1 1 63 63 LYS HG2 H 1 1.381 0.030 . 2 . . . . 63 LYS HG2 . 11211 1 727 . 1 1 63 63 LYS HG3 H 1 1.562 0.030 . 2 . . . . 63 LYS HG3 . 11211 1 728 . 1 1 63 63 LYS C C 13 174.286 0.300 . 1 . . . . 63 LYS C . 11211 1 729 . 1 1 63 63 LYS CA C 13 56.064 0.300 . 1 . . . . 63 LYS CA . 11211 1 730 . 1 1 63 63 LYS CB C 13 34.123 0.300 . 1 . . . . 63 LYS CB . 11211 1 731 . 1 1 63 63 LYS CD C 13 29.583 0.300 . 1 . . . . 63 LYS CD . 11211 1 732 . 1 1 63 63 LYS CE C 13 41.842 0.300 . 1 . . . . 63 LYS CE . 11211 1 733 . 1 1 63 63 LYS CG C 13 25.171 0.300 . 1 . . . . 63 LYS CG . 11211 1 734 . 1 1 63 63 LYS N N 15 121.038 0.300 . 1 . . . . 63 LYS N . 11211 1 735 . 1 1 64 64 HIS H H 1 8.853 0.030 . 1 . . . . 64 HIS H . 11211 1 736 . 1 1 64 64 HIS HA H 1 4.850 0.030 . 1 . . . . 64 HIS HA . 11211 1 737 . 1 1 64 64 HIS HB2 H 1 3.228 0.030 . 2 . . . . 64 HIS HB2 . 11211 1 738 . 1 1 64 64 HIS HB3 H 1 3.131 0.030 . 2 . . . . 64 HIS HB3 . 11211 1 739 . 1 1 64 64 HIS HD2 H 1 6.951 0.030 . 1 . . . . 64 HIS HD2 . 11211 1 740 . 1 1 64 64 HIS HE1 H 1 7.791 0.030 . 1 . . . . 64 HIS HE1 . 11211 1 741 . 1 1 64 64 HIS C C 13 174.376 0.300 . 1 . . . . 64 HIS C . 11211 1 742 . 1 1 64 64 HIS CA C 13 56.697 0.300 . 1 . . . . 64 HIS CA . 11211 1 743 . 1 1 64 64 HIS CB C 13 34.330 0.300 . 1 . . . . 64 HIS CB . 11211 1 744 . 1 1 64 64 HIS CD2 C 13 116.325 0.300 . 1 . . . . 64 HIS CD2 . 11211 1 745 . 1 1 64 64 HIS CE1 C 13 138.149 0.300 . 1 . . . . 64 HIS CE1 . 11211 1 746 . 1 1 64 64 HIS N N 15 125.652 0.300 . 1 . . . . 64 HIS N . 11211 1 747 . 1 1 65 65 ILE H H 1 8.760 0.030 . 1 . . . . 65 ILE H . 11211 1 748 . 1 1 65 65 ILE HA H 1 5.211 0.030 . 1 . . . . 65 ILE HA . 11211 1 749 . 1 1 65 65 ILE HB H 1 1.495 0.030 . 1 . . . . 65 ILE HB . 11211 1 750 . 1 1 65 65 ILE HD11 H 1 0.713 0.030 . 1 . . . . 65 ILE HD1 . 11211 1 751 . 1 1 65 65 ILE HD12 H 1 0.713 0.030 . 1 . . . . 65 ILE HD1 . 11211 1 752 . 1 1 65 65 ILE HD13 H 1 0.713 0.030 . 1 . . . . 65 ILE HD1 . 11211 1 753 . 1 1 65 65 ILE HG12 H 1 1.392 0.030 . 2 . . . . 65 ILE HG12 . 11211 1 754 . 1 1 65 65 ILE HG13 H 1 1.044 0.030 . 2 . . . . 65 ILE HG13 . 11211 1 755 . 1 1 65 65 ILE HG21 H 1 0.732 0.030 . 1 . . . . 65 ILE HG2 . 11211 1 756 . 1 1 65 65 ILE HG22 H 1 0.732 0.030 . 1 . . . . 65 ILE HG2 . 11211 1 757 . 1 1 65 65 ILE HG23 H 1 0.732 0.030 . 1 . . . . 65 ILE HG2 . 11211 1 758 . 1 1 65 65 ILE C C 13 173.026 0.300 . 1 . . . . 65 ILE C . 11211 1 759 . 1 1 65 65 ILE CA C 13 60.186 0.300 . 1 . . . . 65 ILE CA . 11211 1 760 . 1 1 65 65 ILE CB C 13 43.421 0.300 . 1 . . . . 65 ILE CB . 11211 1 761 . 1 1 65 65 ILE CD1 C 13 15.431 0.300 . 1 . . . . 65 ILE CD1 . 11211 1 762 . 1 1 65 65 ILE CG1 C 13 28.564 0.300 . 1 . . . . 65 ILE CG1 . 11211 1 763 . 1 1 65 65 ILE CG2 C 13 19.475 0.300 . 1 . . . . 65 ILE CG2 . 11211 1 764 . 1 1 65 65 ILE N N 15 123.227 0.300 . 1 . . . . 65 ILE N . 11211 1 765 . 1 1 66 66 LEU H H 1 8.522 0.030 . 1 . . . . 66 LEU H . 11211 1 766 . 1 1 66 66 LEU HA H 1 4.297 0.030 . 1 . . . . 66 LEU HA . 11211 1 767 . 1 1 66 66 LEU HB2 H 1 -1.016 0.030 . 2 . . . . 66 LEU HB2 . 11211 1 768 . 1 1 66 66 LEU HB3 H 1 0.771 0.030 . 2 . . . . 66 LEU HB3 . 11211 1 769 . 1 1 66 66 LEU HD11 H 1 0.235 0.030 . 1 . . . . 66 LEU HD1 . 11211 1 770 . 1 1 66 66 LEU HD12 H 1 0.235 0.030 . 1 . . . . 66 LEU HD1 . 11211 1 771 . 1 1 66 66 LEU HD13 H 1 0.235 0.030 . 1 . . . . 66 LEU HD1 . 11211 1 772 . 1 1 66 66 LEU HD21 H 1 0.321 0.030 . 1 . . . . 66 LEU HD2 . 11211 1 773 . 1 1 66 66 LEU HD22 H 1 0.321 0.030 . 1 . . . . 66 LEU HD2 . 11211 1 774 . 1 1 66 66 LEU HD23 H 1 0.321 0.030 . 1 . . . . 66 LEU HD2 . 11211 1 775 . 1 1 66 66 LEU HG H 1 0.836 0.030 . 1 . . . . 66 LEU HG . 11211 1 776 . 1 1 66 66 LEU C C 13 174.539 0.300 . 1 . . . . 66 LEU C . 11211 1 777 . 1 1 66 66 LEU CA C 13 53.197 0.300 . 1 . . . . 66 LEU CA . 11211 1 778 . 1 1 66 66 LEU CB C 13 42.404 0.300 . 1 . . . . 66 LEU CB . 11211 1 779 . 1 1 66 66 LEU CD1 C 13 23.942 0.300 . 2 . . . . 66 LEU CD1 . 11211 1 780 . 1 1 66 66 LEU CD2 C 13 27.045 0.300 . 2 . . . . 66 LEU CD2 . 11211 1 781 . 1 1 66 66 LEU CG C 13 27.286 0.300 . 1 . . . . 66 LEU CG . 11211 1 782 . 1 1 66 66 LEU N N 15 129.685 0.300 . 1 . . . . 66 LEU N . 11211 1 783 . 1 1 67 67 ILE H H 1 9.060 0.030 . 1 . . . . 67 ILE H . 11211 1 784 . 1 1 67 67 ILE HA H 1 4.733 0.030 . 1 . . . . 67 ILE HA . 11211 1 785 . 1 1 67 67 ILE HB H 1 1.567 0.030 . 1 . . . . 67 ILE HB . 11211 1 786 . 1 1 67 67 ILE HD11 H 1 0.715 0.030 . 1 . . . . 67 ILE HD1 . 11211 1 787 . 1 1 67 67 ILE HD12 H 1 0.715 0.030 . 1 . . . . 67 ILE HD1 . 11211 1 788 . 1 1 67 67 ILE HD13 H 1 0.715 0.030 . 1 . . . . 67 ILE HD1 . 11211 1 789 . 1 1 67 67 ILE HG12 H 1 1.331 0.030 . 2 . . . . 67 ILE HG12 . 11211 1 790 . 1 1 67 67 ILE HG13 H 1 0.915 0.030 . 2 . . . . 67 ILE HG13 . 11211 1 791 . 1 1 67 67 ILE HG21 H 1 0.653 0.030 . 1 . . . . 67 ILE HG2 . 11211 1 792 . 1 1 67 67 ILE HG22 H 1 0.653 0.030 . 1 . . . . 67 ILE HG2 . 11211 1 793 . 1 1 67 67 ILE HG23 H 1 0.653 0.030 . 1 . . . . 67 ILE HG2 . 11211 1 794 . 1 1 67 67 ILE C C 13 175.650 0.300 . 1 . . . . 67 ILE C . 11211 1 795 . 1 1 67 67 ILE CA C 13 60.084 0.300 . 1 . . . . 67 ILE CA . 11211 1 796 . 1 1 67 67 ILE CB C 13 40.497 0.300 . 1 . . . . 67 ILE CB . 11211 1 797 . 1 1 67 67 ILE CD1 C 13 18.203 0.300 . 1 . . . . 67 ILE CD1 . 11211 1 798 . 1 1 67 67 ILE CG1 C 13 28.943 0.300 . 1 . . . . 67 ILE CG1 . 11211 1 799 . 1 1 67 67 ILE CG2 C 13 15.129 0.300 . 1 . . . . 67 ILE CG2 . 11211 1 800 . 1 1 67 67 ILE N N 15 126.501 0.300 . 1 . . . . 67 ILE N . 11211 1 801 . 1 1 68 68 ILE H H 1 8.963 0.030 . 1 . . . . 68 ILE H . 11211 1 802 . 1 1 68 68 ILE HA H 1 4.248 0.030 . 1 . . . . 68 ILE HA . 11211 1 803 . 1 1 68 68 ILE HB H 1 1.557 0.030 . 1 . . . . 68 ILE HB . 11211 1 804 . 1 1 68 68 ILE HD11 H 1 0.439 0.030 . 1 . . . . 68 ILE HD1 . 11211 1 805 . 1 1 68 68 ILE HD12 H 1 0.439 0.030 . 1 . . . . 68 ILE HD1 . 11211 1 806 . 1 1 68 68 ILE HD13 H 1 0.439 0.030 . 1 . . . . 68 ILE HD1 . 11211 1 807 . 1 1 68 68 ILE HG12 H 1 1.222 0.030 . 2 . . . . 68 ILE HG12 . 11211 1 808 . 1 1 68 68 ILE HG13 H 1 0.655 0.030 . 2 . . . . 68 ILE HG13 . 11211 1 809 . 1 1 68 68 ILE HG21 H 1 0.520 0.030 . 1 . . . . 68 ILE HG2 . 11211 1 810 . 1 1 68 68 ILE HG22 H 1 0.520 0.030 . 1 . . . . 68 ILE HG2 . 11211 1 811 . 1 1 68 68 ILE HG23 H 1 0.520 0.030 . 1 . . . . 68 ILE HG2 . 11211 1 812 . 1 1 68 68 ILE C C 13 175.436 0.300 . 1 . . . . 68 ILE C . 11211 1 813 . 1 1 68 68 ILE CA C 13 60.379 0.300 . 1 . . . . 68 ILE CA . 11211 1 814 . 1 1 68 68 ILE CB C 13 39.942 0.300 . 1 . . . . 68 ILE CB . 11211 1 815 . 1 1 68 68 ILE CD1 C 13 13.909 0.300 . 1 . . . . 68 ILE CD1 . 11211 1 816 . 1 1 68 68 ILE CG1 C 13 26.696 0.300 . 1 . . . . 68 ILE CG1 . 11211 1 817 . 1 1 68 68 ILE CG2 C 13 16.969 0.300 . 1 . . . . 68 ILE CG2 . 11211 1 818 . 1 1 68 68 ILE N N 15 127.035 0.300 . 1 . . . . 68 ILE N . 11211 1 819 . 1 1 69 69 GLU H H 1 8.627 0.030 . 1 . . . . 69 GLU H . 11211 1 820 . 1 1 69 69 GLU HA H 1 4.238 0.030 . 1 . . . . 69 GLU HA . 11211 1 821 . 1 1 69 69 GLU HB2 H 1 1.936 0.030 . 2 . . . . 69 GLU HB2 . 11211 1 822 . 1 1 69 69 GLU HB3 H 1 1.823 0.030 . 2 . . . . 69 GLU HB3 . 11211 1 823 . 1 1 69 69 GLU HG2 H 1 2.220 0.030 . 2 . . . . 69 GLU HG2 . 11211 1 824 . 1 1 69 69 GLU HG3 H 1 2.092 0.030 . 2 . . . . 69 GLU HG3 . 11211 1 825 . 1 1 69 69 GLU C C 13 176.649 0.300 . 1 . . . . 69 GLU C . 11211 1 826 . 1 1 69 69 GLU CA C 13 56.435 0.300 . 1 . . . . 69 GLU CA . 11211 1 827 . 1 1 69 69 GLU CB C 13 29.708 0.300 . 1 . . . . 69 GLU CB . 11211 1 828 . 1 1 69 69 GLU CG C 13 36.053 0.300 . 1 . . . . 69 GLU CG . 11211 1 829 . 1 1 69 69 GLU N N 15 126.339 0.300 . 1 . . . . 69 GLU N . 11211 1 830 . 1 1 70 70 GLY H H 1 7.973 0.030 . 1 . . . . 70 GLY H . 11211 1 831 . 1 1 70 70 GLY HA2 H 1 3.375 0.030 . 2 . . . . 70 GLY HA2 . 11211 1 832 . 1 1 70 70 GLY HA3 H 1 3.623 0.030 . 2 . . . . 70 GLY HA3 . 11211 1 833 . 1 1 70 70 GLY C C 13 174.048 0.300 . 1 . . . . 70 GLY C . 11211 1 834 . 1 1 70 70 GLY CA C 13 46.994 0.300 . 1 . . . . 70 GLY CA . 11211 1 835 . 1 1 70 70 GLY N N 15 111.588 0.300 . 1 . . . . 70 GLY N . 11211 1 836 . 1 1 71 71 ALA H H 1 8.643 0.030 . 1 . . . . 71 ALA H . 11211 1 837 . 1 1 71 71 ALA HA H 1 4.149 0.030 . 1 . . . . 71 ALA HA . 11211 1 838 . 1 1 71 71 ALA HB1 H 1 1.266 0.030 . 1 . . . . 71 ALA HB . 11211 1 839 . 1 1 71 71 ALA HB2 H 1 1.266 0.030 . 1 . . . . 71 ALA HB . 11211 1 840 . 1 1 71 71 ALA HB3 H 1 1.266 0.030 . 1 . . . . 71 ALA HB . 11211 1 841 . 1 1 71 71 ALA C C 13 177.645 0.300 . 1 . . . . 71 ALA C . 11211 1 842 . 1 1 71 71 ALA CA C 13 53.294 0.300 . 1 . . . . 71 ALA CA . 11211 1 843 . 1 1 71 71 ALA CB C 13 18.172 0.300 . 1 . . . . 71 ALA CB . 11211 1 844 . 1 1 71 71 ALA N N 15 122.748 0.300 . 1 . . . . 71 ALA N . 11211 1 845 . 1 1 72 72 THR H H 1 9.629 0.030 . 1 . . . . 72 THR H . 11211 1 846 . 1 1 72 72 THR HA H 1 4.893 0.030 . 1 . . . . 72 THR HA . 11211 1 847 . 1 1 72 72 THR HB H 1 4.524 0.030 . 1 . . . . 72 THR HB . 11211 1 848 . 1 1 72 72 THR HG21 H 1 1.256 0.030 . 1 . . . . 72 THR HG2 . 11211 1 849 . 1 1 72 72 THR HG22 H 1 1.256 0.030 . 1 . . . . 72 THR HG2 . 11211 1 850 . 1 1 72 72 THR HG23 H 1 1.256 0.030 . 1 . . . . 72 THR HG2 . 11211 1 851 . 1 1 72 72 THR C C 13 175.987 0.300 . 1 . . . . 72 THR C . 11211 1 852 . 1 1 72 72 THR CA C 13 59.357 0.300 . 1 . . . . 72 THR CA . 11211 1 853 . 1 1 72 72 THR CB C 13 73.102 0.300 . 1 . . . . 72 THR CB . 11211 1 854 . 1 1 72 72 THR CG2 C 13 21.257 0.300 . 1 . . . . 72 THR CG2 . 11211 1 855 . 1 1 72 72 THR N N 15 114.417 0.300 . 1 . . . . 72 THR N . 11211 1 856 . 1 1 73 73 LYS H H 1 8.990 0.030 . 1 . . . . 73 LYS H . 11211 1 857 . 1 1 73 73 LYS HA H 1 3.883 0.030 . 1 . . . . 73 LYS HA . 11211 1 858 . 1 1 73 73 LYS HB2 H 1 1.872 0.030 . 1 . . . . 73 LYS HB2 . 11211 1 859 . 1 1 73 73 LYS HB3 H 1 1.872 0.030 . 1 . . . . 73 LYS HB3 . 11211 1 860 . 1 1 73 73 LYS HD2 H 1 1.740 0.030 . 1 . . . . 73 LYS HD2 . 11211 1 861 . 1 1 73 73 LYS HD3 H 1 1.740 0.030 . 1 . . . . 73 LYS HD3 . 11211 1 862 . 1 1 73 73 LYS HE2 H 1 3.079 0.030 . 2 . . . . 73 LYS HE2 . 11211 1 863 . 1 1 73 73 LYS HE3 H 1 3.007 0.030 . 2 . . . . 73 LYS HE3 . 11211 1 864 . 1 1 73 73 LYS HG2 H 1 1.457 0.030 . 2 . . . . 73 LYS HG2 . 11211 1 865 . 1 1 73 73 LYS HG3 H 1 1.590 0.030 . 2 . . . . 73 LYS HG3 . 11211 1 866 . 1 1 73 73 LYS C C 13 178.906 0.300 . 1 . . . . 73 LYS C . 11211 1 867 . 1 1 73 73 LYS CA C 13 59.831 0.300 . 1 . . . . 73 LYS CA . 11211 1 868 . 1 1 73 73 LYS CB C 13 31.470 0.300 . 1 . . . . 73 LYS CB . 11211 1 869 . 1 1 73 73 LYS CD C 13 28.862 0.300 . 1 . . . . 73 LYS CD . 11211 1 870 . 1 1 73 73 LYS CE C 13 41.975 0.300 . 1 . . . . 73 LYS CE . 11211 1 871 . 1 1 73 73 LYS CG C 13 25.480 0.300 . 1 . . . . 73 LYS CG . 11211 1 872 . 1 1 73 73 LYS N N 15 121.211 0.300 . 1 . . . . 73 LYS N . 11211 1 873 . 1 1 74 74 ALA H H 1 7.894 0.030 . 1 . . . . 74 ALA H . 11211 1 874 . 1 1 74 74 ALA HA H 1 4.282 0.030 . 1 . . . . 74 ALA HA . 11211 1 875 . 1 1 74 74 ALA HB1 H 1 1.373 0.030 . 1 . . . . 74 ALA HB . 11211 1 876 . 1 1 74 74 ALA HB2 H 1 1.373 0.030 . 1 . . . . 74 ALA HB . 11211 1 877 . 1 1 74 74 ALA HB3 H 1 1.373 0.030 . 1 . . . . 74 ALA HB . 11211 1 878 . 1 1 74 74 ALA C C 13 178.116 0.300 . 1 . . . . 74 ALA C . 11211 1 879 . 1 1 74 74 ALA CA C 13 53.602 0.300 . 1 . . . . 74 ALA CA . 11211 1 880 . 1 1 74 74 ALA CB C 13 18.345 0.300 . 1 . . . . 74 ALA CB . 11211 1 881 . 1 1 74 74 ALA N N 15 119.821 0.300 . 1 . . . . 74 ALA N . 11211 1 882 . 1 1 75 75 ASP H H 1 8.070 0.030 . 1 . . . . 75 ASP H . 11211 1 883 . 1 1 75 75 ASP HA H 1 4.519 0.030 . 1 . . . . 75 ASP HA . 11211 1 884 . 1 1 75 75 ASP HB2 H 1 2.892 0.030 . 2 . . . . 75 ASP HB2 . 11211 1 885 . 1 1 75 75 ASP HB3 H 1 2.789 0.030 . 2 . . . . 75 ASP HB3 . 11211 1 886 . 1 1 75 75 ASP C C 13 176.552 0.300 . 1 . . . . 75 ASP C . 11211 1 887 . 1 1 75 75 ASP CA C 13 55.148 0.300 . 1 . . . . 75 ASP CA . 11211 1 888 . 1 1 75 75 ASP CB C 13 41.660 0.300 . 1 . . . . 75 ASP CB . 11211 1 889 . 1 1 75 75 ASP N N 15 115.807 0.300 . 1 . . . . 75 ASP N . 11211 1 890 . 1 1 76 76 ALA H H 1 7.483 0.030 . 1 . . . . 76 ALA H . 11211 1 891 . 1 1 76 76 ALA HA H 1 4.326 0.030 . 1 . . . . 76 ALA HA . 11211 1 892 . 1 1 76 76 ALA HB1 H 1 1.633 0.030 . 1 . . . . 76 ALA HB . 11211 1 893 . 1 1 76 76 ALA HB2 H 1 1.633 0.030 . 1 . . . . 76 ALA HB . 11211 1 894 . 1 1 76 76 ALA HB3 H 1 1.633 0.030 . 1 . . . . 76 ALA HB . 11211 1 895 . 1 1 76 76 ALA C C 13 176.160 0.300 . 1 . . . . 76 ALA C . 11211 1 896 . 1 1 76 76 ALA CA C 13 53.970 0.300 . 1 . . . . 76 ALA CA . 11211 1 897 . 1 1 76 76 ALA CB C 13 18.804 0.300 . 1 . . . . 76 ALA CB . 11211 1 898 . 1 1 76 76 ALA N N 15 124.472 0.300 . 1 . . . . 76 ALA N . 11211 1 899 . 1 1 77 77 ALA H H 1 8.289 0.030 . 1 . . . . 77 ALA H . 11211 1 900 . 1 1 77 77 ALA HA H 1 4.533 0.030 . 1 . . . . 77 ALA HA . 11211 1 901 . 1 1 77 77 ALA HB1 H 1 1.077 0.030 . 1 . . . . 77 ALA HB . 11211 1 902 . 1 1 77 77 ALA HB2 H 1 1.077 0.030 . 1 . . . . 77 ALA HB . 11211 1 903 . 1 1 77 77 ALA HB3 H 1 1.077 0.030 . 1 . . . . 77 ALA HB . 11211 1 904 . 1 1 77 77 ALA C C 13 174.502 0.300 . 1 . . . . 77 ALA C . 11211 1 905 . 1 1 77 77 ALA CA C 13 51.669 0.300 . 1 . . . . 77 ALA CA . 11211 1 906 . 1 1 77 77 ALA CB C 13 21.854 0.300 . 1 . . . . 77 ALA CB . 11211 1 907 . 1 1 77 77 ALA N N 15 125.627 0.300 . 1 . . . . 77 ALA N . 11211 1 908 . 1 1 78 78 GLU H H 1 7.900 0.030 . 1 . . . . 78 GLU H . 11211 1 909 . 1 1 78 78 GLU HA H 1 4.980 0.030 . 1 . . . . 78 GLU HA . 11211 1 910 . 1 1 78 78 GLU HB2 H 1 2.123 0.030 . 2 . . . . 78 GLU HB2 . 11211 1 911 . 1 1 78 78 GLU HB3 H 1 1.866 0.030 . 2 . . . . 78 GLU HB3 . 11211 1 912 . 1 1 78 78 GLU HG2 H 1 2.107 0.030 . 2 . . . . 78 GLU HG2 . 11211 1 913 . 1 1 78 78 GLU HG3 H 1 1.941 0.030 . 2 . . . . 78 GLU HG3 . 11211 1 914 . 1 1 78 78 GLU C C 13 175.727 0.300 . 1 . . . . 78 GLU C . 11211 1 915 . 1 1 78 78 GLU CA C 13 55.635 0.300 . 1 . . . . 78 GLU CA . 11211 1 916 . 1 1 78 78 GLU CB C 13 31.070 0.300 . 1 . . . . 78 GLU CB . 11211 1 917 . 1 1 78 78 GLU CG C 13 37.035 0.300 . 1 . . . . 78 GLU CG . 11211 1 918 . 1 1 78 78 GLU N N 15 118.632 0.300 . 1 . . . . 78 GLU N . 11211 1 919 . 1 1 79 79 TYR H H 1 9.702 0.030 . 1 . . . . 79 TYR H . 11211 1 920 . 1 1 79 79 TYR HA H 1 5.598 0.030 . 1 . . . . 79 TYR HA . 11211 1 921 . 1 1 79 79 TYR HB2 H 1 2.977 0.030 . 2 . . . . 79 TYR HB2 . 11211 1 922 . 1 1 79 79 TYR HB3 H 1 2.755 0.030 . 2 . . . . 79 TYR HB3 . 11211 1 923 . 1 1 79 79 TYR HD1 H 1 6.988 0.030 . 1 . . . . 79 TYR HD1 . 11211 1 924 . 1 1 79 79 TYR HD2 H 1 6.988 0.030 . 1 . . . . 79 TYR HD2 . 11211 1 925 . 1 1 79 79 TYR HE1 H 1 6.695 0.030 . 1 . . . . 79 TYR HE1 . 11211 1 926 . 1 1 79 79 TYR HE2 H 1 6.695 0.030 . 1 . . . . 79 TYR HE2 . 11211 1 927 . 1 1 79 79 TYR C C 13 174.596 0.300 . 1 . . . . 79 TYR C . 11211 1 928 . 1 1 79 79 TYR CA C 13 57.429 0.300 . 1 . . . . 79 TYR CA . 11211 1 929 . 1 1 79 79 TYR CB C 13 41.702 0.300 . 1 . . . . 79 TYR CB . 11211 1 930 . 1 1 79 79 TYR CD1 C 13 132.897 0.300 . 1 . . . . 79 TYR CD1 . 11211 1 931 . 1 1 79 79 TYR CD2 C 13 132.897 0.300 . 1 . . . . 79 TYR CD2 . 11211 1 932 . 1 1 79 79 TYR CE1 C 13 117.269 0.300 . 1 . . . . 79 TYR CE1 . 11211 1 933 . 1 1 79 79 TYR CE2 C 13 117.269 0.300 . 1 . . . . 79 TYR CE2 . 11211 1 934 . 1 1 79 79 TYR N N 15 130.403 0.300 . 1 . . . . 79 TYR N . 11211 1 935 . 1 1 80 80 SER H H 1 9.179 0.030 . 1 . . . . 80 SER H . 11211 1 936 . 1 1 80 80 SER HA H 1 5.618 0.030 . 1 . . . . 80 SER HA . 11211 1 937 . 1 1 80 80 SER HB2 H 1 3.761 0.030 . 1 . . . . 80 SER HB2 . 11211 1 938 . 1 1 80 80 SER HB3 H 1 3.761 0.030 . 1 . . . . 80 SER HB3 . 11211 1 939 . 1 1 80 80 SER C C 13 172.173 0.300 . 1 . . . . 80 SER C . 11211 1 940 . 1 1 80 80 SER CA C 13 56.153 0.300 . 1 . . . . 80 SER CA . 11211 1 941 . 1 1 80 80 SER CB C 13 66.813 0.300 . 1 . . . . 80 SER CB . 11211 1 942 . 1 1 80 80 SER N N 15 113.240 0.300 . 1 . . . . 80 SER N . 11211 1 943 . 1 1 81 81 VAL H H 1 8.663 0.030 . 1 . . . . 81 VAL H . 11211 1 944 . 1 1 81 81 VAL HA H 1 5.232 0.030 . 1 . . . . 81 VAL HA . 11211 1 945 . 1 1 81 81 VAL HB H 1 0.880 0.030 . 1 . . . . 81 VAL HB . 11211 1 946 . 1 1 81 81 VAL HG11 H 1 -0.005 0.030 . 1 . . . . 81 VAL HG1 . 11211 1 947 . 1 1 81 81 VAL HG12 H 1 -0.005 0.030 . 1 . . . . 81 VAL HG1 . 11211 1 948 . 1 1 81 81 VAL HG13 H 1 -0.005 0.030 . 1 . . . . 81 VAL HG1 . 11211 1 949 . 1 1 81 81 VAL HG21 H 1 -0.104 0.030 . 1 . . . . 81 VAL HG2 . 11211 1 950 . 1 1 81 81 VAL HG22 H 1 -0.104 0.030 . 1 . . . . 81 VAL HG2 . 11211 1 951 . 1 1 81 81 VAL HG23 H 1 -0.104 0.030 . 1 . . . . 81 VAL HG2 . 11211 1 952 . 1 1 81 81 VAL C C 13 174.824 0.300 . 1 . . . . 81 VAL C . 11211 1 953 . 1 1 81 81 VAL CA C 13 58.071 0.300 . 1 . . . . 81 VAL CA . 11211 1 954 . 1 1 81 81 VAL CB C 13 35.013 0.300 . 1 . . . . 81 VAL CB . 11211 1 955 . 1 1 81 81 VAL CG1 C 13 19.435 0.300 . 2 . . . . 81 VAL CG1 . 11211 1 956 . 1 1 81 81 VAL CG2 C 13 19.559 0.300 . 2 . . . . 81 VAL CG2 . 11211 1 957 . 1 1 81 81 VAL N N 15 115.924 0.300 . 1 . . . . 81 VAL N . 11211 1 958 . 1 1 82 82 MET H H 1 8.786 0.030 . 1 . . . . 82 MET H . 11211 1 959 . 1 1 82 82 MET HA H 1 4.977 0.030 . 1 . . . . 82 MET HA . 11211 1 960 . 1 1 82 82 MET HB2 H 1 1.917 0.030 . 2 . . . . 82 MET HB2 . 11211 1 961 . 1 1 82 82 MET HB3 H 1 2.095 0.030 . 2 . . . . 82 MET HB3 . 11211 1 962 . 1 1 82 82 MET HE1 H 1 1.836 0.030 . 1 . . . . 82 MET HE . 11211 1 963 . 1 1 82 82 MET HE2 H 1 1.836 0.030 . 1 . . . . 82 MET HE . 11211 1 964 . 1 1 82 82 MET HE3 H 1 1.836 0.030 . 1 . . . . 82 MET HE . 11211 1 965 . 1 1 82 82 MET HG2 H 1 2.432 0.030 . 1 . . . . 82 MET HG2 . 11211 1 966 . 1 1 82 82 MET HG3 H 1 2.432 0.030 . 1 . . . . 82 MET HG3 . 11211 1 967 . 1 1 82 82 MET C C 13 175.489 0.300 . 1 . . . . 82 MET C . 11211 1 968 . 1 1 82 82 MET CA C 13 54.969 0.300 . 1 . . . . 82 MET CA . 11211 1 969 . 1 1 82 82 MET CB C 13 37.540 0.300 . 1 . . . . 82 MET CB . 11211 1 970 . 1 1 82 82 MET CE C 13 17.020 0.300 . 1 . . . . 82 MET CE . 11211 1 971 . 1 1 82 82 MET CG C 13 32.181 0.300 . 1 . . . . 82 MET CG . 11211 1 972 . 1 1 82 82 MET N N 15 121.682 0.300 . 1 . . . . 82 MET N . 11211 1 973 . 1 1 83 83 THR H H 1 8.526 0.030 . 1 . . . . 83 THR H . 11211 1 974 . 1 1 83 83 THR HA H 1 4.792 0.030 . 1 . . . . 83 THR HA . 11211 1 975 . 1 1 83 83 THR HB H 1 4.342 0.030 . 1 . . . . 83 THR HB . 11211 1 976 . 1 1 83 83 THR HG21 H 1 0.779 0.030 . 1 . . . . 83 THR HG2 . 11211 1 977 . 1 1 83 83 THR HG22 H 1 0.779 0.030 . 1 . . . . 83 THR HG2 . 11211 1 978 . 1 1 83 83 THR HG23 H 1 0.779 0.030 . 1 . . . . 83 THR HG2 . 11211 1 979 . 1 1 83 83 THR C C 13 175.425 0.300 . 1 . . . . 83 THR C . 11211 1 980 . 1 1 83 83 THR CA C 13 59.445 0.300 . 1 . . . . 83 THR CA . 11211 1 981 . 1 1 83 83 THR CB C 13 70.562 0.300 . 1 . . . . 83 THR CB . 11211 1 982 . 1 1 83 83 THR CG2 C 13 22.421 0.300 . 1 . . . . 83 THR CG2 . 11211 1 983 . 1 1 83 83 THR N N 15 117.120 0.300 . 1 . . . . 83 THR N . 11211 1 984 . 1 1 84 84 THR H H 1 8.919 0.030 . 1 . . . . 84 THR H . 11211 1 985 . 1 1 84 84 THR HA H 1 4.161 0.030 . 1 . . . . 84 THR HA . 11211 1 986 . 1 1 84 84 THR HB H 1 4.444 0.030 . 1 . . . . 84 THR HB . 11211 1 987 . 1 1 84 84 THR HG21 H 1 1.417 0.030 . 1 . . . . 84 THR HG2 . 11211 1 988 . 1 1 84 84 THR HG22 H 1 1.417 0.030 . 1 . . . . 84 THR HG2 . 11211 1 989 . 1 1 84 84 THR HG23 H 1 1.417 0.030 . 1 . . . . 84 THR HG2 . 11211 1 990 . 1 1 84 84 THR C C 13 175.996 0.300 . 1 . . . . 84 THR C . 11211 1 991 . 1 1 84 84 THR CA C 13 64.221 0.300 . 1 . . . . 84 THR CA . 11211 1 992 . 1 1 84 84 THR CB C 13 69.227 0.300 . 1 . . . . 84 THR CB . 11211 1 993 . 1 1 84 84 THR CG2 C 13 23.309 0.300 . 1 . . . . 84 THR CG2 . 11211 1 994 . 1 1 84 84 THR N N 15 110.196 0.300 . 1 . . . . 84 THR N . 11211 1 995 . 1 1 85 85 GLY H H 1 8.130 0.030 . 1 . . . . 85 GLY H . 11211 1 996 . 1 1 85 85 GLY HA2 H 1 4.484 0.030 . 2 . . . . 85 GLY HA2 . 11211 1 997 . 1 1 85 85 GLY HA3 H 1 3.446 0.030 . 2 . . . . 85 GLY HA3 . 11211 1 998 . 1 1 85 85 GLY C C 13 173.959 0.300 . 1 . . . . 85 GLY C . 11211 1 999 . 1 1 85 85 GLY CA C 13 45.072 0.300 . 1 . . . . 85 GLY CA . 11211 1 1000 . 1 1 85 85 GLY N N 15 108.080 0.300 . 1 . . . . 85 GLY N . 11211 1 1001 . 1 1 86 86 GLY H H 1 7.463 0.030 . 1 . . . . 86 GLY H . 11211 1 1002 . 1 1 86 86 GLY HA2 H 1 4.187 0.030 . 2 . . . . 86 GLY HA2 . 11211 1 1003 . 1 1 86 86 GLY HA3 H 1 4.099 0.030 . 2 . . . . 86 GLY HA3 . 11211 1 1004 . 1 1 86 86 GLY C C 13 170.570 0.300 . 1 . . . . 86 GLY C . 11211 1 1005 . 1 1 86 86 GLY CA C 13 45.777 0.300 . 1 . . . . 86 GLY CA . 11211 1 1006 . 1 1 86 86 GLY N N 15 108.785 0.300 . 1 . . . . 86 GLY N . 11211 1 1007 . 1 1 87 87 GLN H H 1 8.170 0.030 . 1 . . . . 87 GLN H . 11211 1 1008 . 1 1 87 87 GLN HA H 1 5.274 0.030 . 1 . . . . 87 GLN HA . 11211 1 1009 . 1 1 87 87 GLN HB2 H 1 2.201 0.030 . 2 . . . . 87 GLN HB2 . 11211 1 1010 . 1 1 87 87 GLN HB3 H 1 2.074 0.030 . 2 . . . . 87 GLN HB3 . 11211 1 1011 . 1 1 87 87 GLN HE21 H 1 7.330 0.030 . 2 . . . . 87 GLN HE21 . 11211 1 1012 . 1 1 87 87 GLN HE22 H 1 6.661 0.030 . 2 . . . . 87 GLN HE22 . 11211 1 1013 . 1 1 87 87 GLN HG2 H 1 2.241 0.030 . 1 . . . . 87 GLN HG2 . 11211 1 1014 . 1 1 87 87 GLN HG3 H 1 2.241 0.030 . 1 . . . . 87 GLN HG3 . 11211 1 1015 . 1 1 87 87 GLN C C 13 174.195 0.300 . 1 . . . . 87 GLN C . 11211 1 1016 . 1 1 87 87 GLN CA C 13 54.352 0.300 . 1 . . . . 87 GLN CA . 11211 1 1017 . 1 1 87 87 GLN CB C 13 32.477 0.300 . 1 . . . . 87 GLN CB . 11211 1 1018 . 1 1 87 87 GLN CG C 13 32.748 0.300 . 1 . . . . 87 GLN CG . 11211 1 1019 . 1 1 87 87 GLN N N 15 115.136 0.300 . 1 . . . . 87 GLN N . 11211 1 1020 . 1 1 87 87 GLN NE2 N 15 111.060 0.300 . 1 . . . . 87 GLN NE2 . 11211 1 1021 . 1 1 88 88 SER H H 1 8.281 0.030 . 1 . . . . 88 SER H . 11211 1 1022 . 1 1 88 88 SER HA H 1 4.777 0.030 . 1 . . . . 88 SER HA . 11211 1 1023 . 1 1 88 88 SER HB2 H 1 3.288 0.030 . 2 . . . . 88 SER HB2 . 11211 1 1024 . 1 1 88 88 SER HB3 H 1 3.855 0.030 . 2 . . . . 88 SER HB3 . 11211 1 1025 . 1 1 88 88 SER C C 13 172.582 0.300 . 1 . . . . 88 SER C . 11211 1 1026 . 1 1 88 88 SER CA C 13 57.395 0.300 . 1 . . . . 88 SER CA . 11211 1 1027 . 1 1 88 88 SER CB C 13 65.665 0.300 . 1 . . . . 88 SER CB . 11211 1 1028 . 1 1 88 88 SER N N 15 114.668 0.300 . 1 . . . . 88 SER N . 11211 1 1029 . 1 1 89 89 SER H H 1 8.320 0.030 . 1 . . . . 89 SER H . 11211 1 1030 . 1 1 89 89 SER HA H 1 5.703 0.030 . 1 . . . . 89 SER HA . 11211 1 1031 . 1 1 89 89 SER HB2 H 1 3.731 0.030 . 2 . . . . 89 SER HB2 . 11211 1 1032 . 1 1 89 89 SER HB3 H 1 3.690 0.030 . 2 . . . . 89 SER HB3 . 11211 1 1033 . 1 1 89 89 SER C C 13 172.253 0.300 . 1 . . . . 89 SER C . 11211 1 1034 . 1 1 89 89 SER CA C 13 57.455 0.300 . 1 . . . . 89 SER CA . 11211 1 1035 . 1 1 89 89 SER CB C 13 66.716 0.300 . 1 . . . . 89 SER CB . 11211 1 1036 . 1 1 89 89 SER N N 15 120.095 0.300 . 1 . . . . 89 SER N . 11211 1 1037 . 1 1 90 90 ALA H H 1 9.472 0.030 . 1 . . . . 90 ALA H . 11211 1 1038 . 1 1 90 90 ALA HA H 1 4.651 0.030 . 1 . . . . 90 ALA HA . 11211 1 1039 . 1 1 90 90 ALA HB1 H 1 1.274 0.030 . 1 . . . . 90 ALA HB . 11211 1 1040 . 1 1 90 90 ALA HB2 H 1 1.274 0.030 . 1 . . . . 90 ALA HB . 11211 1 1041 . 1 1 90 90 ALA HB3 H 1 1.274 0.030 . 1 . . . . 90 ALA HB . 11211 1 1042 . 1 1 90 90 ALA C C 13 174.864 0.300 . 1 . . . . 90 ALA C . 11211 1 1043 . 1 1 90 90 ALA CA C 13 51.942 0.300 . 1 . . . . 90 ALA CA . 11211 1 1044 . 1 1 90 90 ALA CB C 13 23.856 0.300 . 1 . . . . 90 ALA CB . 11211 1 1045 . 1 1 90 90 ALA N N 15 123.823 0.300 . 1 . . . . 90 ALA N . 11211 1 1046 . 1 1 91 91 LYS H H 1 9.070 0.030 . 1 . . . . 91 LYS H . 11211 1 1047 . 1 1 91 91 LYS HA H 1 4.968 0.030 . 1 . . . . 91 LYS HA . 11211 1 1048 . 1 1 91 91 LYS HB2 H 1 1.698 0.030 . 1 . . . . 91 LYS HB2 . 11211 1 1049 . 1 1 91 91 LYS HB3 H 1 1.698 0.030 . 1 . . . . 91 LYS HB3 . 11211 1 1050 . 1 1 91 91 LYS HD2 H 1 1.639 0.030 . 1 . . . . 91 LYS HD2 . 11211 1 1051 . 1 1 91 91 LYS HD3 H 1 1.639 0.030 . 1 . . . . 91 LYS HD3 . 11211 1 1052 . 1 1 91 91 LYS HE2 H 1 2.971 0.030 . 1 . . . . 91 LYS HE2 . 11211 1 1053 . 1 1 91 91 LYS HE3 H 1 2.971 0.030 . 1 . . . . 91 LYS HE3 . 11211 1 1054 . 1 1 91 91 LYS HG2 H 1 1.452 0.030 . 2 . . . . 91 LYS HG2 . 11211 1 1055 . 1 1 91 91 LYS HG3 H 1 1.281 0.030 . 2 . . . . 91 LYS HG3 . 11211 1 1056 . 1 1 91 91 LYS C C 13 176.080 0.300 . 1 . . . . 91 LYS C . 11211 1 1057 . 1 1 91 91 LYS CA C 13 55.654 0.300 . 1 . . . . 91 LYS CA . 11211 1 1058 . 1 1 91 91 LYS CB C 13 34.162 0.300 . 1 . . . . 91 LYS CB . 11211 1 1059 . 1 1 91 91 LYS CD C 13 28.959 0.300 . 1 . . . . 91 LYS CD . 11211 1 1060 . 1 1 91 91 LYS CE C 13 41.834 0.300 . 1 . . . . 91 LYS CE . 11211 1 1061 . 1 1 91 91 LYS CG C 13 25.276 0.300 . 1 . . . . 91 LYS CG . 11211 1 1062 . 1 1 91 91 LYS N N 15 119.273 0.300 . 1 . . . . 91 LYS N . 11211 1 1063 . 1 1 92 92 LEU H H 1 8.977 0.030 . 1 . . . . 92 LEU H . 11211 1 1064 . 1 1 92 92 LEU HA H 1 5.432 0.030 . 1 . . . . 92 LEU HA . 11211 1 1065 . 1 1 92 92 LEU HB2 H 1 2.448 0.030 . 2 . . . . 92 LEU HB2 . 11211 1 1066 . 1 1 92 92 LEU HB3 H 1 1.321 0.030 . 2 . . . . 92 LEU HB3 . 11211 1 1067 . 1 1 92 92 LEU HD11 H 1 0.728 0.030 . 1 . . . . 92 LEU HD1 . 11211 1 1068 . 1 1 92 92 LEU HD12 H 1 0.728 0.030 . 1 . . . . 92 LEU HD1 . 11211 1 1069 . 1 1 92 92 LEU HD13 H 1 0.728 0.030 . 1 . . . . 92 LEU HD1 . 11211 1 1070 . 1 1 92 92 LEU HD21 H 1 0.797 0.030 . 1 . . . . 92 LEU HD2 . 11211 1 1071 . 1 1 92 92 LEU HD22 H 1 0.797 0.030 . 1 . . . . 92 LEU HD2 . 11211 1 1072 . 1 1 92 92 LEU HD23 H 1 0.797 0.030 . 1 . . . . 92 LEU HD2 . 11211 1 1073 . 1 1 92 92 LEU HG H 1 1.315 0.030 . 1 . . . . 92 LEU HG . 11211 1 1074 . 1 1 92 92 LEU C C 13 176.452 0.300 . 1 . . . . 92 LEU C . 11211 1 1075 . 1 1 92 92 LEU CA C 13 53.425 0.300 . 1 . . . . 92 LEU CA . 11211 1 1076 . 1 1 92 92 LEU CB C 13 45.178 0.300 . 1 . . . . 92 LEU CB . 11211 1 1077 . 1 1 92 92 LEU CD1 C 13 26.287 0.300 . 2 . . . . 92 LEU CD1 . 11211 1 1078 . 1 1 92 92 LEU CD2 C 13 25.005 0.300 . 2 . . . . 92 LEU CD2 . 11211 1 1079 . 1 1 92 92 LEU CG C 13 28.236 0.300 . 1 . . . . 92 LEU CG . 11211 1 1080 . 1 1 92 92 LEU N N 15 126.500 0.300 . 1 . . . . 92 LEU N . 11211 1 1081 . 1 1 93 93 SER H H 1 8.899 0.030 . 1 . . . . 93 SER H . 11211 1 1082 . 1 1 93 93 SER HA H 1 4.827 0.030 . 1 . . . . 93 SER HA . 11211 1 1083 . 1 1 93 93 SER HB2 H 1 3.823 0.030 . 1 . . . . 93 SER HB2 . 11211 1 1084 . 1 1 93 93 SER HB3 H 1 3.823 0.030 . 1 . . . . 93 SER HB3 . 11211 1 1085 . 1 1 93 93 SER C C 13 172.442 0.300 . 1 . . . . 93 SER C . 11211 1 1086 . 1 1 93 93 SER CA C 13 57.351 0.300 . 1 . . . . 93 SER CA . 11211 1 1087 . 1 1 93 93 SER CB C 13 64.367 0.300 . 1 . . . . 93 SER CB . 11211 1 1088 . 1 1 93 93 SER N N 15 124.147 0.300 . 1 . . . . 93 SER N . 11211 1 1089 . 1 1 94 94 VAL H H 1 8.244 0.030 . 1 . . . . 94 VAL H . 11211 1 1090 . 1 1 94 94 VAL HA H 1 4.777 0.030 . 1 . . . . 94 VAL HA . 11211 1 1091 . 1 1 94 94 VAL HB H 1 1.722 0.030 . 1 . . . . 94 VAL HB . 11211 1 1092 . 1 1 94 94 VAL HG11 H 1 0.534 0.030 . 1 . . . . 94 VAL HG1 . 11211 1 1093 . 1 1 94 94 VAL HG12 H 1 0.534 0.030 . 1 . . . . 94 VAL HG1 . 11211 1 1094 . 1 1 94 94 VAL HG13 H 1 0.534 0.030 . 1 . . . . 94 VAL HG1 . 11211 1 1095 . 1 1 94 94 VAL HG21 H 1 0.670 0.030 . 1 . . . . 94 VAL HG2 . 11211 1 1096 . 1 1 94 94 VAL HG22 H 1 0.670 0.030 . 1 . . . . 94 VAL HG2 . 11211 1 1097 . 1 1 94 94 VAL HG23 H 1 0.670 0.030 . 1 . . . . 94 VAL HG2 . 11211 1 1098 . 1 1 94 94 VAL C C 13 174.070 0.300 . 1 . . . . 94 VAL C . 11211 1 1099 . 1 1 94 94 VAL CA C 13 60.884 0.300 . 1 . . . . 94 VAL CA . 11211 1 1100 . 1 1 94 94 VAL CB C 13 34.793 0.300 . 1 . . . . 94 VAL CB . 11211 1 1101 . 1 1 94 94 VAL CG1 C 13 21.556 0.300 . 2 . . . . 94 VAL CG1 . 11211 1 1102 . 1 1 94 94 VAL CG2 C 13 20.127 0.300 . 2 . . . . 94 VAL CG2 . 11211 1 1103 . 1 1 94 94 VAL N N 15 123.040 0.300 . 1 . . . . 94 VAL N . 11211 1 1104 . 1 1 95 95 ASP H H 1 8.502 0.030 . 1 . . . . 95 ASP H . 11211 1 1105 . 1 1 95 95 ASP HA H 1 4.938 0.030 . 1 . . . . 95 ASP HA . 11211 1 1106 . 1 1 95 95 ASP HB2 H 1 2.738 0.030 . 2 . . . . 95 ASP HB2 . 11211 1 1107 . 1 1 95 95 ASP HB3 H 1 2.288 0.030 . 2 . . . . 95 ASP HB3 . 11211 1 1108 . 1 1 95 95 ASP C C 13 175.682 0.300 . 1 . . . . 95 ASP C . 11211 1 1109 . 1 1 95 95 ASP CA C 13 52.699 0.300 . 1 . . . . 95 ASP CA . 11211 1 1110 . 1 1 95 95 ASP CB C 13 44.078 0.300 . 1 . . . . 95 ASP CB . 11211 1 1111 . 1 1 95 95 ASP N N 15 126.781 0.300 . 1 . . . . 95 ASP N . 11211 1 1112 . 1 1 96 96 LEU H H 1 8.701 0.030 . 1 . . . . 96 LEU H . 11211 1 1113 . 1 1 96 96 LEU HA H 1 4.553 0.030 . 1 . . . . 96 LEU HA . 11211 1 1114 . 1 1 96 96 LEU HB2 H 1 1.661 0.030 . 1 . . . . 96 LEU HB2 . 11211 1 1115 . 1 1 96 96 LEU HB3 H 1 1.661 0.030 . 1 . . . . 96 LEU HB3 . 11211 1 1116 . 1 1 96 96 LEU HD11 H 1 1.002 0.030 . 1 . . . . 96 LEU HD1 . 11211 1 1117 . 1 1 96 96 LEU HD12 H 1 1.002 0.030 . 1 . . . . 96 LEU HD1 . 11211 1 1118 . 1 1 96 96 LEU HD13 H 1 1.002 0.030 . 1 . . . . 96 LEU HD1 . 11211 1 1119 . 1 1 96 96 LEU HD21 H 1 0.968 0.030 . 1 . . . . 96 LEU HD2 . 11211 1 1120 . 1 1 96 96 LEU HD22 H 1 0.968 0.030 . 1 . . . . 96 LEU HD2 . 11211 1 1121 . 1 1 96 96 LEU HD23 H 1 0.968 0.030 . 1 . . . . 96 LEU HD2 . 11211 1 1122 . 1 1 96 96 LEU HG H 1 1.718 0.030 . 1 . . . . 96 LEU HG . 11211 1 1123 . 1 1 96 96 LEU C C 13 177.469 0.300 . 1 . . . . 96 LEU C . 11211 1 1124 . 1 1 96 96 LEU CA C 13 55.259 0.300 . 1 . . . . 96 LEU CA . 11211 1 1125 . 1 1 96 96 LEU CB C 13 42.949 0.300 . 1 . . . . 96 LEU CB . 11211 1 1126 . 1 1 96 96 LEU CD1 C 13 24.946 0.300 . 2 . . . . 96 LEU CD1 . 11211 1 1127 . 1 1 96 96 LEU CD2 C 13 24.214 0.300 . 2 . . . . 96 LEU CD2 . 11211 1 1128 . 1 1 96 96 LEU CG C 13 27.469 0.300 . 1 . . . . 96 LEU CG . 11211 1 1129 . 1 1 96 96 LEU N N 15 122.008 0.300 . 1 . . . . 96 LEU N . 11211 1 1130 . 1 1 97 97 LYS H H 1 8.694 0.030 . 1 . . . . 97 LYS H . 11211 1 1131 . 1 1 97 97 LYS HA H 1 4.143 0.030 . 1 . . . . 97 LYS HA . 11211 1 1132 . 1 1 97 97 LYS HB2 H 1 1.545 0.030 . 2 . . . . 97 LYS HB2 . 11211 1 1133 . 1 1 97 97 LYS HB3 H 1 1.716 0.030 . 2 . . . . 97 LYS HB3 . 11211 1 1134 . 1 1 97 97 LYS HD2 H 1 1.425 0.030 . 1 . . . . 97 LYS HD2 . 11211 1 1135 . 1 1 97 97 LYS HD3 H 1 1.425 0.030 . 1 . . . . 97 LYS HD3 . 11211 1 1136 . 1 1 97 97 LYS HE2 H 1 2.707 0.030 . 1 . . . . 97 LYS HE2 . 11211 1 1137 . 1 1 97 97 LYS HE3 H 1 2.707 0.030 . 1 . . . . 97 LYS HE3 . 11211 1 1138 . 1 1 97 97 LYS HG2 H 1 1.165 0.030 . 1 . . . . 97 LYS HG2 . 11211 1 1139 . 1 1 97 97 LYS HG3 H 1 1.165 0.030 . 1 . . . . 97 LYS HG3 . 11211 1 1140 . 1 1 97 97 LYS C C 13 176.383 0.300 . 1 . . . . 97 LYS C . 11211 1 1141 . 1 1 97 97 LYS CA C 13 56.793 0.300 . 1 . . . . 97 LYS CA . 11211 1 1142 . 1 1 97 97 LYS CB C 13 33.026 0.300 . 1 . . . . 97 LYS CB . 11211 1 1143 . 1 1 97 97 LYS CD C 13 28.947 0.300 . 1 . . . . 97 LYS CD . 11211 1 1144 . 1 1 97 97 LYS CE C 13 41.828 0.300 . 1 . . . . 97 LYS CE . 11211 1 1145 . 1 1 97 97 LYS CG C 13 24.909 0.300 . 1 . . . . 97 LYS CG . 11211 1 1146 . 1 1 97 97 LYS N N 15 123.447 0.300 . 1 . . . . 97 LYS N . 11211 1 1147 . 1 1 98 98 SER H H 1 8.256 0.030 . 1 . . . . 98 SER H . 11211 1 1148 . 1 1 98 98 SER HA H 1 4.451 0.030 . 1 . . . . 98 SER HA . 11211 1 1149 . 1 1 98 98 SER HB2 H 1 3.822 0.030 . 1 . . . . 98 SER HB2 . 11211 1 1150 . 1 1 98 98 SER HB3 H 1 3.822 0.030 . 1 . . . . 98 SER HB3 . 11211 1 1151 . 1 1 98 98 SER C C 13 174.399 0.300 . 1 . . . . 98 SER C . 11211 1 1152 . 1 1 98 98 SER CA C 13 58.092 0.300 . 1 . . . . 98 SER CA . 11211 1 1153 . 1 1 98 98 SER CB C 13 64.371 0.300 . 1 . . . . 98 SER CB . 11211 1 1154 . 1 1 98 98 SER N N 15 117.680 0.300 . 1 . . . . 98 SER N . 11211 1 1155 . 1 1 99 99 GLY H H 1 8.191 0.030 . 1 . . . . 99 GLY H . 11211 1 1156 . 1 1 99 99 GLY HA2 H 1 4.056 0.030 . 1 . . . . 99 GLY HA2 . 11211 1 1157 . 1 1 99 99 GLY HA3 H 1 4.056 0.030 . 1 . . . . 99 GLY HA3 . 11211 1 1158 . 1 1 99 99 GLY C C 13 171.665 0.300 . 1 . . . . 99 GLY C . 11211 1 1159 . 1 1 99 99 GLY CA C 13 44.574 0.300 . 1 . . . . 99 GLY CA . 11211 1 1160 . 1 1 99 99 GLY N N 15 110.656 0.300 . 1 . . . . 99 GLY N . 11211 1 1161 . 1 1 100 100 PRO HA H 1 4.464 0.030 . 1 . . . . 100 PRO HA . 11211 1 1162 . 1 1 100 100 PRO HB2 H 1 2.293 0.030 . 2 . . . . 100 PRO HB2 . 11211 1 1163 . 1 1 100 100 PRO HB3 H 1 1.972 0.030 . 2 . . . . 100 PRO HB3 . 11211 1 1164 . 1 1 100 100 PRO HD2 H 1 3.595 0.030 . 1 . . . . 100 PRO HD2 . 11211 1 1165 . 1 1 100 100 PRO HD3 H 1 3.595 0.030 . 1 . . . . 100 PRO HD3 . 11211 1 1166 . 1 1 100 100 PRO HG2 H 1 2.012 0.030 . 1 . . . . 100 PRO HG2 . 11211 1 1167 . 1 1 100 100 PRO HG3 H 1 2.012 0.030 . 1 . . . . 100 PRO HG3 . 11211 1 1168 . 1 1 100 100 PRO C C 13 176.230 0.300 . 1 . . . . 100 PRO C . 11211 1 1169 . 1 1 100 100 PRO CA C 13 63.217 0.300 . 1 . . . . 100 PRO CA . 11211 1 1170 . 1 1 100 100 PRO CB C 13 32.188 0.300 . 1 . . . . 100 PRO CB . 11211 1 1171 . 1 1 100 100 PRO CD C 13 49.721 0.300 . 1 . . . . 100 PRO CD . 11211 1 1172 . 1 1 100 100 PRO CG C 13 27.083 0.300 . 1 . . . . 100 PRO CG . 11211 1 1173 . 1 1 101 101 SER H H 1 8.214 0.030 . 1 . . . . 101 SER H . 11211 1 1174 . 1 1 101 101 SER C C 13 174.305 0.300 . 1 . . . . 101 SER C . 11211 1 1175 . 1 1 101 101 SER CA C 13 61.916 0.300 . 1 . . . . 101 SER CA . 11211 1 1176 . 1 1 101 101 SER CB C 13 69.615 0.300 . 1 . . . . 101 SER CB . 11211 1 1177 . 1 1 101 101 SER N N 15 118.428 0.300 . 1 . . . . 101 SER N . 11211 1 1178 . 1 1 102 102 SER HA H 1 4.468 0.030 . 1 . . . . 102 SER HA . 11211 1 1179 . 1 1 102 102 SER HB2 H 1 3.891 0.030 . 1 . . . . 102 SER HB2 . 11211 1 1180 . 1 1 102 102 SER HB3 H 1 3.891 0.030 . 1 . . . . 102 SER HB3 . 11211 1 1181 . 1 1 102 102 SER C C 13 173.908 0.300 . 1 . . . . 102 SER C . 11211 1 1182 . 1 1 102 102 SER CA C 13 58.354 0.300 . 1 . . . . 102 SER CA . 11211 1 1183 . 1 1 102 102 SER CB C 13 63.972 0.300 . 1 . . . . 102 SER CB . 11211 1 1184 . 1 1 103 103 GLY H H 1 8.043 0.030 . 1 . . . . 103 GLY H . 11211 1 1185 . 1 1 103 103 GLY HA2 H 1 3.773 0.030 . 1 . . . . 103 GLY HA2 . 11211 1 1186 . 1 1 103 103 GLY HA3 H 1 3.773 0.030 . 1 . . . . 103 GLY HA3 . 11211 1 1187 . 1 1 103 103 GLY C C 13 179.045 0.300 . 1 . . . . 103 GLY C . 11211 1 1188 . 1 1 103 103 GLY CA C 13 46.221 0.300 . 1 . . . . 103 GLY CA . 11211 1 1189 . 1 1 103 103 GLY N N 15 116.878 0.300 . 1 . . . . 103 GLY N . 11211 1 stop_ save_