data_16183 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16183 _Entry.Title ; Tammar Wallaby Prion Protein (121-230) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-02-24 _Entry.Accession_date 2009-02-24 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Barbara Christen . . . 16183 2 Simone Hornemann . . . 16183 3 Fred Damberger . F. . 16183 4 Kurt Wuthrich . . . 16183 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 . 'not applicable' 'not applicable' . 16183 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Tammar Wallaby PrP' . 16183 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16183 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 473 16183 '15N chemical shifts' 132 16183 '1H chemical shifts' 782 16183 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 3 . . 2010-10-18 2009-02-24 update BMRB 'update entry citation' 16183 2 . . 2010-05-27 2009-02-24 update BMRB 'edit entity/assembly name' 16183 1 . . 2009-05-20 2009-02-24 original author 'original release' 16183 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KFL 'BMRB Entry Tracking System' 16183 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 16183 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19393664 _Citation.Full_citation . _Citation.Title 'Prion protein NMR structure from tammar wallaby (Macropus eugenii) shows that the beta2-alpha2 loop is modulated by long-range sequence effects.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 389 _Citation.Journal_issue 5 _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 833 _Citation.Page_last 845 _Citation.Year 2009 _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 Barbara Christen . . . 16183 1 2 Simone Hornemann . . . 16183 1 3 Fred Damberger . F. . 16183 1 4 Kurt Wuthrich . . . 16183 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16183 _Assembly.ID 1 _Assembly.Name 'Tammar Wallaby Prion Protein (121-230)' _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 wpp_121-230 1 $entity A . yes native no no . . . 16183 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 61 61 SG . 1 . 1 CYS 96 96 SG . . . . . . . . . . 16183 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16183 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name wpp_121-230 _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 ; GSVVGGLGGYMLGSAMSRPV MHFGNEYEDRYYRENQYRYP NQVMYRPIDQYGSQNSFVHD CVNITVKQHTTTTTTKGENF TETDIKIMERVVEQMCITQY QNEYQAAQRYYN ; _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 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13167.715 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KFL . "Tammar Wallaby Prion Protein (121-230)" . . . . . 100.00 112 100.00 100.00 3.64e-76 . . . . 16183 1 2 no GB AAT68001 . "prion protein PrP [Macropus eugenii]" . . . . . 100.00 260 99.11 100.00 9.08e-76 . . . . 16183 1 3 no GB AAT68002 . "prion protein PrP [Macropus eugenii]" . . . . . 100.00 260 99.11 100.00 9.08e-76 . . . . 16183 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 . 16183 1 2 . SER . 16183 1 3 . VAL . 16183 1 4 . VAL . 16183 1 5 . GLY . 16183 1 6 . GLY . 16183 1 7 . LEU . 16183 1 8 . GLY . 16183 1 9 . GLY . 16183 1 10 . TYR . 16183 1 11 . MET . 16183 1 12 . LEU . 16183 1 13 . GLY . 16183 1 14 . SER . 16183 1 15 . ALA . 16183 1 16 . MET . 16183 1 17 . SER . 16183 1 18 . ARG . 16183 1 19 . PRO . 16183 1 20 . VAL . 16183 1 21 . MET . 16183 1 22 . HIS . 16183 1 23 . PHE . 16183 1 24 . GLY . 16183 1 25 . ASN . 16183 1 26 . GLU . 16183 1 27 . TYR . 16183 1 28 . GLU . 16183 1 29 . ASP . 16183 1 30 . ARG . 16183 1 31 . TYR . 16183 1 32 . TYR . 16183 1 33 . ARG . 16183 1 34 . GLU . 16183 1 35 . ASN . 16183 1 36 . GLN . 16183 1 37 . TYR . 16183 1 38 . ARG . 16183 1 39 . TYR . 16183 1 40 . PRO . 16183 1 41 . ASN . 16183 1 42 . GLN . 16183 1 43 . VAL . 16183 1 44 . MET . 16183 1 45 . TYR . 16183 1 46 . ARG . 16183 1 47 . PRO . 16183 1 48 . ILE . 16183 1 49 . ASP . 16183 1 50 . GLN . 16183 1 51 . TYR . 16183 1 52 . GLY . 16183 1 53 . SER . 16183 1 54 . GLN . 16183 1 55 . ASN . 16183 1 56 . SER . 16183 1 57 . PHE . 16183 1 58 . VAL . 16183 1 59 . HIS . 16183 1 60 . ASP . 16183 1 61 . CYS . 16183 1 62 . VAL . 16183 1 63 . ASN . 16183 1 64 . ILE . 16183 1 65 . THR . 16183 1 66 . VAL . 16183 1 67 . LYS . 16183 1 68 . GLN . 16183 1 69 . HIS . 16183 1 70 . THR . 16183 1 71 . THR . 16183 1 72 . THR . 16183 1 73 . THR . 16183 1 74 . THR . 16183 1 75 . THR . 16183 1 76 . LYS . 16183 1 77 . GLY . 16183 1 78 . GLU . 16183 1 79 . ASN . 16183 1 80 . PHE . 16183 1 81 . THR . 16183 1 82 . GLU . 16183 1 83 . THR . 16183 1 84 . ASP . 16183 1 85 . ILE . 16183 1 86 . LYS . 16183 1 87 . ILE . 16183 1 88 . MET . 16183 1 89 . GLU . 16183 1 90 . ARG . 16183 1 91 . VAL . 16183 1 92 . VAL . 16183 1 93 . GLU . 16183 1 94 . GLN . 16183 1 95 . MET . 16183 1 96 . CYS . 16183 1 97 . ILE . 16183 1 98 . THR . 16183 1 99 . GLN . 16183 1 100 . TYR . 16183 1 101 . GLN . 16183 1 102 . ASN . 16183 1 103 . GLU . 16183 1 104 . TYR . 16183 1 105 . GLN . 16183 1 106 . ALA . 16183 1 107 . ALA . 16183 1 108 . GLN . 16183 1 109 . ARG . 16183 1 110 . TYR . 16183 1 111 . TYR . 16183 1 112 . ASN . 16183 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 16183 1 . SER 2 2 16183 1 . VAL 3 3 16183 1 . VAL 4 4 16183 1 . GLY 5 5 16183 1 . GLY 6 6 16183 1 . LEU 7 7 16183 1 . GLY 8 8 16183 1 . GLY 9 9 16183 1 . TYR 10 10 16183 1 . MET 11 11 16183 1 . LEU 12 12 16183 1 . GLY 13 13 16183 1 . SER 14 14 16183 1 . ALA 15 15 16183 1 . MET 16 16 16183 1 . SER 17 17 16183 1 . ARG 18 18 16183 1 . PRO 19 19 16183 1 . VAL 20 20 16183 1 . MET 21 21 16183 1 . HIS 22 22 16183 1 . PHE 23 23 16183 1 . GLY 24 24 16183 1 . ASN 25 25 16183 1 . GLU 26 26 16183 1 . TYR 27 27 16183 1 . GLU 28 28 16183 1 . ASP 29 29 16183 1 . ARG 30 30 16183 1 . TYR 31 31 16183 1 . TYR 32 32 16183 1 . ARG 33 33 16183 1 . GLU 34 34 16183 1 . ASN 35 35 16183 1 . GLN 36 36 16183 1 . TYR 37 37 16183 1 . ARG 38 38 16183 1 . TYR 39 39 16183 1 . PRO 40 40 16183 1 . ASN 41 41 16183 1 . GLN 42 42 16183 1 . VAL 43 43 16183 1 . MET 44 44 16183 1 . TYR 45 45 16183 1 . ARG 46 46 16183 1 . PRO 47 47 16183 1 . ILE 48 48 16183 1 . ASP 49 49 16183 1 . GLN 50 50 16183 1 . TYR 51 51 16183 1 . GLY 52 52 16183 1 . SER 53 53 16183 1 . GLN 54 54 16183 1 . ASN 55 55 16183 1 . SER 56 56 16183 1 . PHE 57 57 16183 1 . VAL 58 58 16183 1 . HIS 59 59 16183 1 . ASP 60 60 16183 1 . CYS 61 61 16183 1 . VAL 62 62 16183 1 . ASN 63 63 16183 1 . ILE 64 64 16183 1 . THR 65 65 16183 1 . VAL 66 66 16183 1 . LYS 67 67 16183 1 . GLN 68 68 16183 1 . HIS 69 69 16183 1 . THR 70 70 16183 1 . THR 71 71 16183 1 . THR 72 72 16183 1 . THR 73 73 16183 1 . THR 74 74 16183 1 . THR 75 75 16183 1 . LYS 76 76 16183 1 . GLY 77 77 16183 1 . GLU 78 78 16183 1 . ASN 79 79 16183 1 . PHE 80 80 16183 1 . THR 81 81 16183 1 . GLU 82 82 16183 1 . THR 83 83 16183 1 . ASP 84 84 16183 1 . ILE 85 85 16183 1 . LYS 86 86 16183 1 . ILE 87 87 16183 1 . MET 88 88 16183 1 . GLU 89 89 16183 1 . ARG 90 90 16183 1 . VAL 91 91 16183 1 . VAL 92 92 16183 1 . GLU 93 93 16183 1 . GLN 94 94 16183 1 . MET 95 95 16183 1 . CYS 96 96 16183 1 . ILE 97 97 16183 1 . THR 98 98 16183 1 . GLN 99 99 16183 1 . TYR 100 100 16183 1 . GLN 101 101 16183 1 . ASN 102 102 16183 1 . GLU 103 103 16183 1 . TYR 104 104 16183 1 . GLN 105 105 16183 1 . ALA 106 106 16183 1 . ALA 107 107 16183 1 . GLN 108 108 16183 1 . ARG 109 109 16183 1 . TYR 110 110 16183 1 . TYR 111 111 16183 1 . ASN 112 112 16183 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 16183 _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 . 9315 organism . 'Macropus Eugenii' 'tammar wallaby' . . Eukaryota Metazoa Macropus Eugenii . . . . . . . . . . . . . . . . . . . . . 16183 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 16183 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pRSETA . . . . . . 16183 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16183 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'The sample additionally contains a protease inhibitor cocktail.' _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 'sodium acetate' '[U-100% 2H]' . . . . . . 10 . . mM . . . . 16183 1 2 entity '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 1.5 . . mM . . . . 16183 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16183 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16183 _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' 0.01 . M 16183 1 pH 4.5 . pH 16183 1 pressure 1 . atm 16183 1 temperature 293.1 . K 16183 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 16183 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 16183 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16183 1 stop_ save_ save_ATNOS_CANDID _Software.Sf_category software _Software.Sf_framecode ATNOS_CANDID _Software.Entry_ID 16183 _Software.ID 2 _Software.Name ATHNOS-CANDID _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 16183 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16183 2 'peak picking' 16183 2 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 16183 _Software.ID 3 _Software.Name DYANA _Software.Version 1.0.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16183 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16183 3 stop_ save_ save_OPALP _Software.Sf_category software _Software.Sf_framecode OPALP _Software.Entry_ID 16183 _Software.ID 4 _Software.Name OPALP _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 16183 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16183 4 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 16183 _Software.ID 5 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 16183 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16183 5 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16183 _Software.ID 6 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16183 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16183 6 processing 16183 6 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 16183 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16183 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16183 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 16183 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 16183 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 16183 1 2 spectrometer_2 Bruker Avance . 600 . . . 16183 1 3 spectrometer_3 Bruker Avance . 750 . . . 16183 1 4 spectrometer_4 Bruker Avance . 900 . . . 16183 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 16183 _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 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 16183 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16183 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16183 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16183 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16183 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16183 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16183 1 8 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16183 1 9 '3D H(CCCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16183 1 10 '3D (H)C(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16183 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16183 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 16183 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16183 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16183 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16183 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 16183 1 2 '3D 1H-13C NOESY' . . . 16183 1 3 '3D HNCA' . . . 16183 1 4 '3D HNCO' . . . 16183 1 5 '3D HN(CA)CO' . . . 16183 1 6 '3D CBCA(CO)NH' . . . 16183 1 7 '3D HNCACB' . . . 16183 1 8 '3D HCCH-COSY' . . . 16183 1 9 '3D H(CCCO)NH' . . . 16183 1 10 '3D (H)C(CCO)NH' . . . 16183 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 1 1 GLY HA2 H 1 3.920 0.020 . 1 . . . . 119 GLY HA2 . 16183 1 2 . 1 1 1 1 GLY HA3 H 1 3.920 0.020 . 1 . . . . 119 GLY HA3 . 16183 1 3 . 1 1 1 1 GLY C C 13 167.615 0.3 . 1 . . . . 119 GLY C . 16183 1 4 . 1 1 1 1 GLY CA C 13 43.303 0.3 . 1 . . . . 119 GLY CA . 16183 1 5 . 1 1 2 2 SER H H 1 8.696 0.020 . 1 . . . . 120 SER H . 16183 1 6 . 1 1 2 2 SER HA H 1 4.622 0.020 . 1 . . . . 120 SER HA . 16183 1 7 . 1 1 2 2 SER HB2 H 1 3.851 0.020 . 1 . . . . 120 SER HB2 . 16183 1 8 . 1 1 2 2 SER HB3 H 1 3.851 0.020 . 1 . . . . 120 SER HB3 . 16183 1 9 . 1 1 2 2 SER C C 13 171.760 0.3 . 1 . . . . 120 SER C . 16183 1 10 . 1 1 2 2 SER CA C 13 57.953 0.3 . 1 . . . . 120 SER CA . 16183 1 11 . 1 1 2 2 SER CB C 13 64.075 0.3 . 1 . . . . 120 SER CB . 16183 1 12 . 1 1 2 2 SER N N 15 115.820 0.3 . 1 . . . . 120 SER N . 16183 1 13 . 1 1 3 3 VAL H H 1 8.428 0.020 . 1 . . . . 121 VAL H . 16183 1 14 . 1 1 3 3 VAL HA H 1 4.200 0.020 . 1 . . . . 121 VAL HA . 16183 1 15 . 1 1 3 3 VAL HB H 1 2.058 0.020 . 1 . . . . 121 VAL HB . 16183 1 16 . 1 1 3 3 VAL HG11 H 1 0.933 0.020 . 2 . . . . 121 VAL HG1 . 16183 1 17 . 1 1 3 3 VAL HG12 H 1 0.933 0.020 . 2 . . . . 121 VAL HG1 . 16183 1 18 . 1 1 3 3 VAL HG13 H 1 0.933 0.020 . 2 . . . . 121 VAL HG1 . 16183 1 19 . 1 1 3 3 VAL HG21 H 1 0.902 0.020 . 2 . . . . 121 VAL HG2 . 16183 1 20 . 1 1 3 3 VAL HG22 H 1 0.902 0.020 . 2 . . . . 121 VAL HG2 . 16183 1 21 . 1 1 3 3 VAL HG23 H 1 0.902 0.020 . 2 . . . . 121 VAL HG2 . 16183 1 22 . 1 1 3 3 VAL C C 13 173.875 0.3 . 1 . . . . 121 VAL C . 16183 1 23 . 1 1 3 3 VAL CA C 13 62.308 0.3 . 1 . . . . 121 VAL CA . 16183 1 24 . 1 1 3 3 VAL CB C 13 32.727 0.3 . 1 . . . . 121 VAL CB . 16183 1 25 . 1 1 3 3 VAL CG1 C 13 20.593 0.3 . 1 . . . . 121 VAL CG1 . 16183 1 26 . 1 1 3 3 VAL CG2 C 13 21.094 0.3 . 1 . . . . 121 VAL CG2 . 16183 1 27 . 1 1 3 3 VAL N N 15 122.388 0.3 . 1 . . . . 121 VAL N . 16183 1 28 . 1 1 4 4 VAL H H 1 8.369 0.020 . 1 . . . . 122 VAL H . 16183 1 29 . 1 1 4 4 VAL HA H 1 4.096 0.020 . 1 . . . . 122 VAL HA . 16183 1 30 . 1 1 4 4 VAL HB H 1 2.022 0.020 . 1 . . . . 122 VAL HB . 16183 1 31 . 1 1 4 4 VAL HG11 H 1 0.936 0.020 . 2 . . . . 122 VAL HG1 . 16183 1 32 . 1 1 4 4 VAL HG12 H 1 0.936 0.020 . 2 . . . . 122 VAL HG1 . 16183 1 33 . 1 1 4 4 VAL HG13 H 1 0.936 0.020 . 2 . . . . 122 VAL HG1 . 16183 1 34 . 1 1 4 4 VAL HG21 H 1 0.900 0.020 . 2 . . . . 122 VAL HG2 . 16183 1 35 . 1 1 4 4 VAL HG22 H 1 0.900 0.020 . 2 . . . . 122 VAL HG2 . 16183 1 36 . 1 1 4 4 VAL HG23 H 1 0.900 0.020 . 2 . . . . 122 VAL HG2 . 16183 1 37 . 1 1 4 4 VAL C C 13 174.194 0.3 . 1 . . . . 122 VAL C . 16183 1 38 . 1 1 4 4 VAL CA C 13 62.468 0.3 . 1 . . . . 122 VAL CA . 16183 1 39 . 1 1 4 4 VAL CB C 13 32.526 0.3 . 1 . . . . 122 VAL CB . 16183 1 40 . 1 1 4 4 VAL CG1 C 13 20.880 0.3 . 1 . . . . 122 VAL CG1 . 16183 1 41 . 1 1 4 4 VAL CG2 C 13 21.112 0.3 . 1 . . . . 122 VAL CG2 . 16183 1 42 . 1 1 4 4 VAL N N 15 125.447 0.3 . 1 . . . . 122 VAL N . 16183 1 43 . 1 1 5 5 GLY H H 1 8.610 0.020 . 1 . . . . 123 GLY H . 16183 1 44 . 1 1 5 5 GLY HA2 H 1 3.961 0.020 . 1 . . . . 123 GLY HA2 . 16183 1 45 . 1 1 5 5 GLY HA3 H 1 3.961 0.020 . 1 . . . . 123 GLY HA3 . 16183 1 46 . 1 1 5 5 GLY C C 13 172.148 0.3 . 1 . . . . 123 GLY C . 16183 1 47 . 1 1 5 5 GLY CA C 13 45.182 0.3 . 1 . . . . 123 GLY CA . 16183 1 48 . 1 1 5 5 GLY N N 15 113.578 0.3 . 1 . . . . 123 GLY N . 16183 1 49 . 1 1 6 6 GLY H H 1 8.301 0.020 . 1 . . . . 124 GLY H . 16183 1 50 . 1 1 6 6 GLY HA2 H 1 3.970 0.020 . 1 . . . . 124 GLY HA2 . 16183 1 51 . 1 1 6 6 GLY HA3 H 1 3.970 0.020 . 1 . . . . 124 GLY HA3 . 16183 1 52 . 1 1 6 6 GLY C C 13 171.895 0.3 . 1 . . . . 124 GLY C . 16183 1 53 . 1 1 6 6 GLY CA C 13 45.206 0.3 . 1 . . . . 124 GLY CA . 16183 1 54 . 1 1 6 6 GLY N N 15 108.642 0.3 . 1 . . . . 124 GLY N . 16183 1 55 . 1 1 7 7 LEU H H 1 8.292 0.020 . 1 . . . . 125 LEU H . 16183 1 56 . 1 1 7 7 LEU HA H 1 4.394 0.020 . 1 . . . . 125 LEU HA . 16183 1 57 . 1 1 7 7 LEU HB2 H 1 1.628 0.020 . 1 . . . . 125 LEU HB2 . 16183 1 58 . 1 1 7 7 LEU HB3 H 1 1.628 0.020 . 1 . . . . 125 LEU HB3 . 16183 1 59 . 1 1 7 7 LEU HD11 H 1 0.878 0.020 . 2 . . . . 125 LEU HD1 . 16183 1 60 . 1 1 7 7 LEU HD12 H 1 0.878 0.020 . 2 . . . . 125 LEU HD1 . 16183 1 61 . 1 1 7 7 LEU HD13 H 1 0.878 0.020 . 2 . . . . 125 LEU HD1 . 16183 1 62 . 1 1 7 7 LEU HD21 H 1 0.814 0.020 . 2 . . . . 125 LEU HD2 . 16183 1 63 . 1 1 7 7 LEU HD22 H 1 0.814 0.020 . 2 . . . . 125 LEU HD2 . 16183 1 64 . 1 1 7 7 LEU HD23 H 1 0.814 0.020 . 2 . . . . 125 LEU HD2 . 16183 1 65 . 1 1 7 7 LEU HG H 1 1.607 0.020 . 1 . . . . 125 LEU HG . 16183 1 66 . 1 1 7 7 LEU C C 13 175.763 0.3 . 1 . . . . 125 LEU C . 16183 1 67 . 1 1 7 7 LEU CA C 13 55.103 0.3 . 1 . . . . 125 LEU CA . 16183 1 68 . 1 1 7 7 LEU CB C 13 42.279 0.3 . 1 . . . . 125 LEU CB . 16183 1 69 . 1 1 7 7 LEU CD1 C 13 24.903 0.3 . 1 . . . . 125 LEU CD1 . 16183 1 70 . 1 1 7 7 LEU CD2 C 13 23.531 0.3 . 1 . . . . 125 LEU CD2 . 16183 1 71 . 1 1 7 7 LEU CG C 13 26.997 0.3 . 1 . . . . 125 LEU CG . 16183 1 72 . 1 1 7 7 LEU N N 15 121.732 0.3 . 1 . . . . 125 LEU N . 16183 1 73 . 1 1 8 8 GLY H H 1 8.586 0.020 . 1 . . . . 126 GLY H . 16183 1 74 . 1 1 8 8 GLY HA2 H 1 3.894 0.020 . 1 . . . . 126 GLY HA2 . 16183 1 75 . 1 1 8 8 GLY C C 13 172.241 0.3 . 1 . . . . 126 GLY C . 16183 1 76 . 1 1 8 8 GLY CA C 13 45.931 0.3 . 1 . . . . 126 GLY CA . 16183 1 77 . 1 1 8 8 GLY N N 15 109.878 0.3 . 1 . . . . 126 GLY N . 16183 1 78 . 1 1 9 9 GLY H H 1 8.274 0.020 . 1 . . . . 127 GLY H . 16183 1 79 . 1 1 9 9 GLY HA2 H 1 3.886 0.020 . 1 . . . . 127 GLY HA2 . 16183 1 80 . 1 1 9 9 GLY C C 13 171.416 0.3 . 1 . . . . 127 GLY C . 16183 1 81 . 1 1 9 9 GLY CA C 13 44.977 0.3 . 1 . . . . 127 GLY CA . 16183 1 82 . 1 1 9 9 GLY N N 15 108.423 0.3 . 1 . . . . 127 GLY N . 16183 1 83 . 1 1 10 10 TYR H H 1 7.671 0.020 . 1 . . . . 128 TYR H . 16183 1 84 . 1 1 10 10 TYR HA H 1 4.448 0.020 . 1 . . . . 128 TYR HA . 16183 1 85 . 1 1 10 10 TYR HB2 H 1 2.802 0.020 . 2 . . . . 128 TYR HB2 . 16183 1 86 . 1 1 10 10 TYR HB3 H 1 2.778 0.020 . 2 . . . . 128 TYR HB3 . 16183 1 87 . 1 1 10 10 TYR HD1 H 1 6.879 0.020 . 1 . . . . 128 TYR HD1 . 16183 1 88 . 1 1 10 10 TYR HD2 H 1 6.879 0.020 . 1 . . . . 128 TYR HD2 . 16183 1 89 . 1 1 10 10 TYR HE1 H 1 6.686 0.020 . 1 . . . . 128 TYR HE1 . 16183 1 90 . 1 1 10 10 TYR HE2 H 1 6.686 0.020 . 1 . . . . 128 TYR HE2 . 16183 1 91 . 1 1 10 10 TYR C C 13 172.932 0.3 . 1 . . . . 128 TYR C . 16183 1 92 . 1 1 10 10 TYR CA C 13 57.811 0.3 . 1 . . . . 128 TYR CA . 16183 1 93 . 1 1 10 10 TYR CB C 13 39.875 0.3 . 1 . . . . 128 TYR CB . 16183 1 94 . 1 1 10 10 TYR CD1 C 13 132.872 0.3 . 1 . . . . 128 TYR CD1 . 16183 1 95 . 1 1 10 10 TYR CE1 C 13 118.145 0.3 . 1 . . . . 128 TYR CE1 . 16183 1 96 . 1 1 10 10 TYR N N 15 117.811 0.3 . 1 . . . . 128 TYR N . 16183 1 97 . 1 1 11 11 MET H H 1 9.060 0.020 . 1 . . . . 129 MET H . 16183 1 98 . 1 1 11 11 MET HA H 1 4.495 0.020 . 1 . . . . 129 MET HA . 16183 1 99 . 1 1 11 11 MET HB2 H 1 0.912 0.020 . 2 . . . . 129 MET HB2 . 16183 1 100 . 1 1 11 11 MET HB3 H 1 1.536 0.020 . 2 . . . . 129 MET HB3 . 16183 1 101 . 1 1 11 11 MET HE1 H 1 1.987 0.020 . 1 . . . . 129 MET HE . 16183 1 102 . 1 1 11 11 MET HE2 H 1 1.987 0.020 . 1 . . . . 129 MET HE . 16183 1 103 . 1 1 11 11 MET HE3 H 1 1.987 0.020 . 1 . . . . 129 MET HE . 16183 1 104 . 1 1 11 11 MET HG2 H 1 2.224 0.020 . 1 . . . . 129 MET HG2 . 16183 1 105 . 1 1 11 11 MET HG3 H 1 2.224 0.020 . 1 . . . . 129 MET HG3 . 16183 1 106 . 1 1 11 11 MET C C 13 171.071 0.3 . 1 . . . . 129 MET C . 16183 1 107 . 1 1 11 11 MET CA C 13 53.653 0.3 . 1 . . . . 129 MET CA . 16183 1 108 . 1 1 11 11 MET CB C 13 34.100 0.3 . 1 . . . . 129 MET CB . 16183 1 109 . 1 1 11 11 MET CE C 13 17.057 0.3 . 1 . . . . 129 MET CE . 16183 1 110 . 1 1 11 11 MET CG C 13 31.815 0.3 . 1 . . . . 129 MET CG . 16183 1 111 . 1 1 11 11 MET N N 15 120.669 0.3 . 1 . . . . 129 MET N . 16183 1 112 . 1 1 12 12 LEU H H 1 8.253 0.020 . 1 . . . . 130 LEU H . 16183 1 113 . 1 1 12 12 LEU HA H 1 4.965 0.020 . 1 . . . . 130 LEU HA . 16183 1 114 . 1 1 12 12 LEU HB2 H 1 1.324 0.020 . 2 . . . . 130 LEU HB2 . 16183 1 115 . 1 1 12 12 LEU HB3 H 1 1.758 0.020 . 2 . . . . 130 LEU HB3 . 16183 1 116 . 1 1 12 12 LEU HD11 H 1 0.862 0.020 . 2 . . . . 130 LEU HD1 . 16183 1 117 . 1 1 12 12 LEU HD12 H 1 0.862 0.020 . 2 . . . . 130 LEU HD1 . 16183 1 118 . 1 1 12 12 LEU HD13 H 1 0.862 0.020 . 2 . . . . 130 LEU HD1 . 16183 1 119 . 1 1 12 12 LEU HD21 H 1 0.855 0.020 . 2 . . . . 130 LEU HD2 . 16183 1 120 . 1 1 12 12 LEU HD22 H 1 0.855 0.020 . 2 . . . . 130 LEU HD2 . 16183 1 121 . 1 1 12 12 LEU HD23 H 1 0.855 0.020 . 2 . . . . 130 LEU HD2 . 16183 1 122 . 1 1 12 12 LEU HG H 1 1.692 0.020 . 1 . . . . 130 LEU HG . 16183 1 123 . 1 1 12 12 LEU C C 13 175.736 0.3 . 1 . . . . 130 LEU C . 16183 1 124 . 1 1 12 12 LEU CA C 13 53.482 0.3 . 1 . . . . 130 LEU CA . 16183 1 125 . 1 1 12 12 LEU CB C 13 44.133 0.3 . 1 . . . . 130 LEU CB . 16183 1 126 . 1 1 12 12 LEU CD1 C 13 25.576 0.3 . 1 . . . . 130 LEU CD1 . 16183 1 127 . 1 1 12 12 LEU CD2 C 13 24.333 0.3 . 1 . . . . 130 LEU CD2 . 16183 1 128 . 1 1 12 12 LEU CG C 13 26.745 0.3 . 1 . . . . 130 LEU CG . 16183 1 129 . 1 1 12 12 LEU N N 15 121.036 0.3 . 1 . . . . 130 LEU N . 16183 1 130 . 1 1 13 13 GLY H H 1 9.462 0.020 . 1 . . . . 131 GLY H . 16183 1 131 . 1 1 13 13 GLY HA2 H 1 4.473 0.020 . 1 . . . . 131 GLY HA2 . 16183 1 132 . 1 1 13 13 GLY C C 13 170.632 0.3 . 1 . . . . 131 GLY C . 16183 1 133 . 1 1 13 13 GLY CA C 13 44.912 0.3 . 1 . . . . 131 GLY CA . 16183 1 134 . 1 1 13 13 GLY N N 15 114.181 0.3 . 1 . . . . 131 GLY N . 16183 1 135 . 1 1 14 14 SER H H 1 8.370 0.020 . 1 . . . . 132 SER H . 16183 1 136 . 1 1 14 14 SER HA H 1 4.454 0.020 . 1 . . . . 132 SER HA . 16183 1 137 . 1 1 14 14 SER HB2 H 1 3.913 0.020 . 2 . . . . 132 SER HB2 . 16183 1 138 . 1 1 14 14 SER HB3 H 1 4.000 0.020 . 2 . . . . 132 SER HB3 . 16183 1 139 . 1 1 14 14 SER C C 13 172.214 0.3 . 1 . . . . 132 SER C . 16183 1 140 . 1 1 14 14 SER CA C 13 58.585 0.3 . 1 . . . . 132 SER CA . 16183 1 141 . 1 1 14 14 SER CB C 13 63.919 0.3 . 1 . . . . 132 SER CB . 16183 1 142 . 1 1 14 14 SER N N 15 114.134 0.3 . 1 . . . . 132 SER N . 16183 1 143 . 1 1 15 15 ALA H H 1 8.727 0.020 . 1 . . . . 133 ALA H . 16183 1 144 . 1 1 15 15 ALA HA H 1 4.400 0.020 . 1 . . . . 133 ALA HA . 16183 1 145 . 1 1 15 15 ALA HB1 H 1 1.302 0.020 . 1 . . . . 133 ALA HB . 16183 1 146 . 1 1 15 15 ALA HB2 H 1 1.302 0.020 . 1 . . . . 133 ALA HB . 16183 1 147 . 1 1 15 15 ALA HB3 H 1 1.302 0.020 . 1 . . . . 133 ALA HB . 16183 1 148 . 1 1 15 15 ALA C C 13 175.125 0.3 . 1 . . . . 133 ALA C . 16183 1 149 . 1 1 15 15 ALA CA C 13 52.913 0.3 . 1 . . . . 133 ALA CA . 16183 1 150 . 1 1 15 15 ALA CB C 13 18.256 0.3 . 1 . . . . 133 ALA CB . 16183 1 151 . 1 1 15 15 ALA N N 15 125.401 0.3 . 1 . . . . 133 ALA N . 16183 1 152 . 1 1 16 16 MET H H 1 8.843 0.020 . 1 . . . . 134 MET H . 16183 1 153 . 1 1 16 16 MET HA H 1 4.771 0.020 . 1 . . . . 134 MET HA . 16183 1 154 . 1 1 16 16 MET HB2 H 1 2.116 0.020 . 2 . . . . 134 MET HB2 . 16183 1 155 . 1 1 16 16 MET HB3 H 1 1.979 0.020 . 2 . . . . 134 MET HB3 . 16183 1 156 . 1 1 16 16 MET HE1 H 1 2.215 0.020 . 1 . . . . 134 MET HE . 16183 1 157 . 1 1 16 16 MET HE2 H 1 2.215 0.020 . 1 . . . . 134 MET HE . 16183 1 158 . 1 1 16 16 MET HE3 H 1 2.215 0.020 . 1 . . . . 134 MET HE . 16183 1 159 . 1 1 16 16 MET HG2 H 1 2.560 0.020 . 2 . . . . 134 MET HG2 . 16183 1 160 . 1 1 16 16 MET HG3 H 1 2.461 0.020 . 2 . . . . 134 MET HG3 . 16183 1 161 . 1 1 16 16 MET C C 13 173.344 0.3 . 1 . . . . 134 MET C . 16183 1 162 . 1 1 16 16 MET CA C 13 53.986 0.3 . 1 . . . . 134 MET CA . 16183 1 163 . 1 1 16 16 MET CB C 13 36.484 0.3 . 1 . . . . 134 MET CB . 16183 1 164 . 1 1 16 16 MET CE C 13 17.245 0.3 . 1 . . . . 134 MET CE . 16183 1 165 . 1 1 16 16 MET CG C 13 30.987 0.3 . 1 . . . . 134 MET CG . 16183 1 166 . 1 1 16 16 MET N N 15 121.562 0.3 . 1 . . . . 134 MET N . 16183 1 167 . 1 1 17 17 SER H H 1 8.476 0.020 . 1 . . . . 135 SER H . 16183 1 168 . 1 1 17 17 SER HA H 1 4.366 0.020 . 1 . . . . 135 SER HA . 16183 1 169 . 1 1 17 17 SER HB2 H 1 3.864 0.020 . 2 . . . . 135 SER HB2 . 16183 1 170 . 1 1 17 17 SER HB3 H 1 3.760 0.020 . 2 . . . . 135 SER HB3 . 16183 1 171 . 1 1 17 17 SER C C 13 172.028 0.3 . 1 . . . . 135 SER C . 16183 1 172 . 1 1 17 17 SER CA C 13 58.593 0.3 . 1 . . . . 135 SER CA . 16183 1 173 . 1 1 17 17 SER CB C 13 63.165 0.3 . 1 . . . . 135 SER CB . 16183 1 174 . 1 1 17 17 SER N N 15 116.462 0.3 . 1 . . . . 135 SER N . 16183 1 175 . 1 1 18 18 ARG H H 1 8.770 0.020 . 1 . . . . 136 ARG H . 16183 1 176 . 1 1 18 18 ARG HA H 1 4.409 0.020 . 1 . . . . 136 ARG HA . 16183 1 177 . 1 1 18 18 ARG HB2 H 1 1.895 0.020 . 2 . . . . 136 ARG HB2 . 16183 1 178 . 1 1 18 18 ARG HB3 H 1 1.683 0.020 . 2 . . . . 136 ARG HB3 . 16183 1 179 . 1 1 18 18 ARG HD2 H 1 3.175 0.020 . 2 . . . . 136 ARG HD2 . 16183 1 180 . 1 1 18 18 ARG HD3 H 1 3.105 0.020 . 2 . . . . 136 ARG HD3 . 16183 1 181 . 1 1 18 18 ARG HE H 1 6.845 0.020 . 1 . . . . 136 ARG HE . 16183 1 182 . 1 1 18 18 ARG HG2 H 1 1.880 0.020 . 2 . . . . 136 ARG HG2 . 16183 1 183 . 1 1 18 18 ARG HG3 H 1 1.741 0.020 . 2 . . . . 136 ARG HG3 . 16183 1 184 . 1 1 18 18 ARG C C 13 172.871 0.3 . 1 . . . . 136 ARG C . 16183 1 185 . 1 1 18 18 ARG CA C 13 55.071 0.3 . 1 . . . . 136 ARG CA . 16183 1 186 . 1 1 18 18 ARG CB C 13 28.316 0.3 . 1 . . . . 136 ARG CB . 16183 1 187 . 1 1 18 18 ARG CD C 13 43.614 0.3 . 1 . . . . 136 ARG CD . 16183 1 188 . 1 1 18 18 ARG CG C 13 28.922 0.3 . 1 . . . . 136 ARG CG . 16183 1 189 . 1 1 18 18 ARG N N 15 125.858 0.3 . 1 . . . . 136 ARG N . 16183 1 190 . 1 1 18 18 ARG NE N 15 85.600 0.3 . 1 . . . . 136 ARG NE . 16183 1 191 . 1 1 19 19 PRO HA H 1 4.393 0.020 . 1 . . . . 137 PRO HA . 16183 1 192 . 1 1 19 19 PRO HB2 H 1 1.761 0.020 . 2 . . . . 137 PRO HB2 . 16183 1 193 . 1 1 19 19 PRO HB3 H 1 2.232 0.020 . 2 . . . . 137 PRO HB3 . 16183 1 194 . 1 1 19 19 PRO HD2 H 1 3.605 0.020 . 2 . . . . 137 PRO HD2 . 16183 1 195 . 1 1 19 19 PRO HD3 H 1 3.843 0.020 . 2 . . . . 137 PRO HD3 . 16183 1 196 . 1 1 19 19 PRO HG2 H 1 2.009 0.020 . 2 . . . . 137 PRO HG2 . 16183 1 197 . 1 1 19 19 PRO HG3 H 1 1.995 0.020 . 2 . . . . 137 PRO HG3 . 16183 1 198 . 1 1 19 19 PRO C C 13 174.434 0.3 . 1 . . . . 137 PRO C . 16183 1 199 . 1 1 19 19 PRO CA C 13 62.461 0.3 . 1 . . . . 137 PRO CA . 16183 1 200 . 1 1 19 19 PRO CB C 13 32.090 0.3 . 1 . . . . 137 PRO CB . 16183 1 201 . 1 1 19 19 PRO CD C 13 50.506 0.3 . 1 . . . . 137 PRO CD . 16183 1 202 . 1 1 19 19 PRO CG C 13 27.664 0.3 . 1 . . . . 137 PRO CG . 16183 1 203 . 1 1 20 20 VAL H H 1 8.605 0.020 . 1 . . . . 138 VAL H . 16183 1 204 . 1 1 20 20 VAL HA H 1 3.999 0.020 . 1 . . . . 138 VAL HA . 16183 1 205 . 1 1 20 20 VAL HB H 1 1.935 0.020 . 1 . . . . 138 VAL HB . 16183 1 206 . 1 1 20 20 VAL HG11 H 1 1.026 0.020 . 2 . . . . 138 VAL HG1 . 16183 1 207 . 1 1 20 20 VAL HG12 H 1 1.026 0.020 . 2 . . . . 138 VAL HG1 . 16183 1 208 . 1 1 20 20 VAL HG13 H 1 1.026 0.020 . 2 . . . . 138 VAL HG1 . 16183 1 209 . 1 1 20 20 VAL HG21 H 1 0.810 0.020 . 2 . . . . 138 VAL HG2 . 16183 1 210 . 1 1 20 20 VAL HG22 H 1 0.810 0.020 . 2 . . . . 138 VAL HG2 . 16183 1 211 . 1 1 20 20 VAL HG23 H 1 0.810 0.020 . 2 . . . . 138 VAL HG2 . 16183 1 212 . 1 1 20 20 VAL C C 13 173.317 0.3 . 1 . . . . 138 VAL C . 16183 1 213 . 1 1 20 20 VAL CA C 13 63.203 0.3 . 1 . . . . 138 VAL CA . 16183 1 214 . 1 1 20 20 VAL CB C 13 31.157 0.3 . 1 . . . . 138 VAL CB . 16183 1 215 . 1 1 20 20 VAL CG1 C 13 21.205 0.3 . 1 . . . . 138 VAL CG1 . 16183 1 216 . 1 1 20 20 VAL CG2 C 13 20.890 0.3 . 1 . . . . 138 VAL CG2 . 16183 1 217 . 1 1 20 20 VAL N N 15 124.080 0.3 . 1 . . . . 138 VAL N . 16183 1 218 . 1 1 21 21 MET H H 1 8.084 0.020 . 1 . . . . 139 MET H . 16183 1 219 . 1 1 21 21 MET HA H 1 4.530 0.020 . 1 . . . . 139 MET HA . 16183 1 220 . 1 1 21 21 MET HB2 H 1 1.292 0.020 . 2 . . . . 139 MET HB2 . 16183 1 221 . 1 1 21 21 MET HB3 H 1 1.273 0.020 . 2 . . . . 139 MET HB3 . 16183 1 222 . 1 1 21 21 MET HE1 H 1 1.458 0.020 . 1 . . . . 139 MET HE . 16183 1 223 . 1 1 21 21 MET HE2 H 1 1.458 0.020 . 1 . . . . 139 MET HE . 16183 1 224 . 1 1 21 21 MET HE3 H 1 1.458 0.020 . 1 . . . . 139 MET HE . 16183 1 225 . 1 1 21 21 MET HG2 H 1 0.887 0.020 . 2 . . . . 139 MET HG2 . 16183 1 226 . 1 1 21 21 MET HG3 H 1 0.869 0.020 . 2 . . . . 139 MET HG3 . 16183 1 227 . 1 1 21 21 MET C C 13 172.148 0.3 . 1 . . . . 139 MET C . 16183 1 228 . 1 1 21 21 MET CA C 13 52.512 0.3 . 1 . . . . 139 MET CA . 16183 1 229 . 1 1 21 21 MET CB C 13 34.309 0.3 . 1 . . . . 139 MET CB . 16183 1 230 . 1 1 21 21 MET CE C 13 15.773 0.3 . 1 . . . . 139 MET CE . 16183 1 231 . 1 1 21 21 MET CG C 13 34.258 0.3 . 1 . . . . 139 MET CG . 16183 1 232 . 1 1 21 21 MET N N 15 125.295 0.3 . 1 . . . . 139 MET N . 16183 1 233 . 1 1 22 22 HIS H H 1 8.307 0.020 . 1 . . . . 140 HIS H . 16183 1 234 . 1 1 22 22 HIS HA H 1 4.912 0.020 . 1 . . . . 140 HIS HA . 16183 1 235 . 1 1 22 22 HIS HB2 H 1 3.241 0.020 . 2 . . . . 140 HIS HB2 . 16183 1 236 . 1 1 22 22 HIS HB3 H 1 2.954 0.020 . 2 . . . . 140 HIS HB3 . 16183 1 237 . 1 1 22 22 HIS HD2 H 1 7.220 0.020 . 1 . . . . 140 HIS HD2 . 16183 1 238 . 1 1 22 22 HIS HE1 H 1 8.535 0.020 . 1 . . . . 140 HIS HE1 . 16183 1 239 . 1 1 22 22 HIS C C 13 172.214 0.3 . 1 . . . . 140 HIS C . 16183 1 240 . 1 1 22 22 HIS CA C 13 54.205 0.3 . 1 . . . . 140 HIS CA . 16183 1 241 . 1 1 22 22 HIS CB C 13 29.285 0.3 . 1 . . . . 140 HIS CB . 16183 1 242 . 1 1 22 22 HIS CD2 C 13 119.925 0.3 . 1 . . . . 140 HIS CD2 . 16183 1 243 . 1 1 22 22 HIS CE1 C 13 136.018 0.3 . 1 . . . . 140 HIS CE1 . 16183 1 244 . 1 1 22 22 HIS N N 15 119.015 0.3 . 1 . . . . 140 HIS N . 16183 1 245 . 1 1 23 23 PHE H H 1 10.475 0.020 . 1 . . . . 141 PHE H . 16183 1 246 . 1 1 23 23 PHE HA H 1 4.337 0.020 . 1 . . . . 141 PHE HA . 16183 1 247 . 1 1 23 23 PHE HB2 H 1 3.360 0.020 . 2 . . . . 141 PHE HB2 . 16183 1 248 . 1 1 23 23 PHE HB3 H 1 2.842 0.020 . 2 . . . . 141 PHE HB3 . 16183 1 249 . 1 1 23 23 PHE HD1 H 1 7.396 0.020 . 1 . . . . 141 PHE HD1 . 16183 1 250 . 1 1 23 23 PHE HD2 H 1 7.396 0.020 . 1 . . . . 141 PHE HD2 . 16183 1 251 . 1 1 23 23 PHE HE1 H 1 6.872 0.020 . 1 . . . . 141 PHE HE1 . 16183 1 252 . 1 1 23 23 PHE HE2 H 1 6.872 0.020 . 1 . . . . 141 PHE HE2 . 16183 1 253 . 1 1 23 23 PHE HZ H 1 6.566 0.020 . 1 . . . . 141 PHE HZ . 16183 1 254 . 1 1 23 23 PHE C C 13 174.660 0.3 . 1 . . . . 141 PHE C . 16183 1 255 . 1 1 23 23 PHE CA C 13 59.602 0.3 . 1 . . . . 141 PHE CA . 16183 1 256 . 1 1 23 23 PHE CB C 13 40.038 0.3 . 1 . . . . 141 PHE CB . 16183 1 257 . 1 1 23 23 PHE CD1 C 13 131.997 0.3 . 1 . . . . 141 PHE CD1 . 16183 1 258 . 1 1 23 23 PHE CE1 C 13 130.670 0.3 . 1 . . . . 141 PHE CE1 . 16183 1 259 . 1 1 23 23 PHE CZ C 13 128.624 0.3 . 1 . . . . 141 PHE CZ . 16183 1 260 . 1 1 23 23 PHE N N 15 124.031 0.3 . 1 . . . . 141 PHE N . 16183 1 261 . 1 1 24 24 GLY H H 1 9.258 0.020 . 1 . . . . 142 GLY H . 16183 1 262 . 1 1 24 24 GLY HA2 H 1 4.170 0.020 . 1 . . . . 142 GLY HA2 . 16183 1 263 . 1 1 24 24 GLY C C 13 170.832 0.3 . 1 . . . . 142 GLY C . 16183 1 264 . 1 1 24 24 GLY CA C 13 45.583 0.3 . 1 . . . . 142 GLY CA . 16183 1 265 . 1 1 24 24 GLY N N 15 109.341 0.3 . 1 . . . . 142 GLY N . 16183 1 266 . 1 1 25 25 ASN H H 1 7.219 0.020 . 1 . . . . 143 ASN H . 16183 1 267 . 1 1 25 25 ASN HA H 1 4.833 0.020 . 1 . . . . 143 ASN HA . 16183 1 268 . 1 1 25 25 ASN HB2 H 1 2.834 0.020 . 2 . . . . 143 ASN HB2 . 16183 1 269 . 1 1 25 25 ASN HB3 H 1 2.820 0.020 . 2 . . . . 143 ASN HB3 . 16183 1 270 . 1 1 25 25 ASN HD21 H 1 7.612 0.020 . 1 . . . . 143 ASN HD21 . 16183 1 271 . 1 1 25 25 ASN HD22 H 1 7.431 0.020 . 1 . . . . 143 ASN HD22 . 16183 1 272 . 1 1 25 25 ASN C C 13 171.616 0.3 . 1 . . . . 143 ASN C . 16183 1 273 . 1 1 25 25 ASN CA C 13 52.634 0.3 . 1 . . . . 143 ASN CA . 16183 1 274 . 1 1 25 25 ASN CB C 13 41.578 0.3 . 1 . . . . 143 ASN CB . 16183 1 275 . 1 1 25 25 ASN N N 15 114.405 0.3 . 1 . . . . 143 ASN N . 16183 1 276 . 1 1 25 25 ASN ND2 N 15 115.986 0.3 . 1 . . . . 143 ASN ND2 . 16183 1 277 . 1 1 26 26 GLU H H 1 9.070 0.020 . 1 . . . . 144 GLU H . 16183 1 278 . 1 1 26 26 GLU HA H 1 4.191 0.020 . 1 . . . . 144 GLU HA . 16183 1 279 . 1 1 26 26 GLU HB2 H 1 2.139 0.020 . 2 . . . . 144 GLU HB2 . 16183 1 280 . 1 1 26 26 GLU HB3 H 1 2.088 0.020 . 2 . . . . 144 GLU HB3 . 16183 1 281 . 1 1 26 26 GLU HG2 H 1 2.437 0.020 . 2 . . . . 144 GLU HG2 . 16183 1 282 . 1 1 26 26 GLU HG3 H 1 2.392 0.020 . 2 . . . . 144 GLU HG3 . 16183 1 283 . 1 1 26 26 GLU C C 13 175.489 0.3 . 1 . . . . 144 GLU C . 16183 1 284 . 1 1 26 26 GLU CA C 13 59.433 0.3 . 1 . . . . 144 GLU CA . 16183 1 285 . 1 1 26 26 GLU CB C 13 29.350 0.3 . 1 . . . . 144 GLU CB . 16183 1 286 . 1 1 26 26 GLU CG C 13 35.340 0.3 . 1 . . . . 144 GLU CG . 16183 1 287 . 1 1 26 26 GLU N N 15 124.188 0.3 . 1 . . . . 144 GLU N . 16183 1 288 . 1 1 27 27 TYR H H 1 8.384 0.020 . 1 . . . . 145 TYR H . 16183 1 289 . 1 1 27 27 TYR HA H 1 4.214 0.020 . 1 . . . . 145 TYR HA . 16183 1 290 . 1 1 27 27 TYR HB2 H 1 3.238 0.020 . 2 . . . . 145 TYR HB2 . 16183 1 291 . 1 1 27 27 TYR HB3 H 1 3.074 0.020 . 2 . . . . 145 TYR HB3 . 16183 1 292 . 1 1 27 27 TYR HD1 H 1 7.080 0.020 . 1 . . . . 145 TYR HD1 . 16183 1 293 . 1 1 27 27 TYR HD2 H 1 7.080 0.020 . 1 . . . . 145 TYR HD2 . 16183 1 294 . 1 1 27 27 TYR HE1 H 1 6.725 0.020 . 1 . . . . 145 TYR HE1 . 16183 1 295 . 1 1 27 27 TYR HE2 H 1 6.725 0.020 . 1 . . . . 145 TYR HE2 . 16183 1 296 . 1 1 27 27 TYR C C 13 175.723 0.3 . 1 . . . . 145 TYR C . 16183 1 297 . 1 1 27 27 TYR CA C 13 61.651 0.3 . 1 . . . . 145 TYR CA . 16183 1 298 . 1 1 27 27 TYR CB C 13 37.565 0.3 . 1 . . . . 145 TYR CB . 16183 1 299 . 1 1 27 27 TYR CD1 C 13 133.212 0.3 . 1 . . . . 145 TYR CD1 . 16183 1 300 . 1 1 27 27 TYR CE1 C 13 117.970 0.3 . 1 . . . . 145 TYR CE1 . 16183 1 301 . 1 1 27 27 TYR N N 15 120.106 0.3 . 1 . . . . 145 TYR N . 16183 1 302 . 1 1 28 28 GLU H H 1 8.416 0.020 . 1 . . . . 146 GLU H . 16183 1 303 . 1 1 28 28 GLU HA H 1 3.579 0.020 . 1 . . . . 146 GLU HA . 16183 1 304 . 1 1 28 28 GLU HB2 H 1 1.915 0.020 . 2 . . . . 146 GLU HB2 . 16183 1 305 . 1 1 28 28 GLU HB3 H 1 1.418 0.020 . 2 . . . . 146 GLU HB3 . 16183 1 306 . 1 1 28 28 GLU HG2 H 1 2.497 0.020 . 2 . . . . 146 GLU HG2 . 16183 1 307 . 1 1 28 28 GLU HG3 H 1 1.829 0.020 . 2 . . . . 146 GLU HG3 . 16183 1 308 . 1 1 28 28 GLU C C 13 175.487 0.3 . 1 . . . . 146 GLU C . 16183 1 309 . 1 1 28 28 GLU CA C 13 59.561 0.3 . 1 . . . . 146 GLU CA . 16183 1 310 . 1 1 28 28 GLU CB C 13 29.205 0.3 . 1 . . . . 146 GLU CB . 16183 1 311 . 1 1 28 28 GLU CG C 13 36.613 0.3 . 1 . . . . 146 GLU CG . 16183 1 312 . 1 1 28 28 GLU N N 15 119.461 0.3 . 1 . . . . 146 GLU N . 16183 1 313 . 1 1 29 29 ASP H H 1 8.065 0.020 . 1 . . . . 147 ASP H . 16183 1 314 . 1 1 29 29 ASP HA H 1 4.666 0.020 . 1 . . . . 147 ASP HA . 16183 1 315 . 1 1 29 29 ASP HB2 H 1 2.934 0.020 . 2 . . . . 147 ASP HB2 . 16183 1 316 . 1 1 29 29 ASP HB3 H 1 2.813 0.020 . 2 . . . . 147 ASP HB3 . 16183 1 317 . 1 1 29 29 ASP C C 13 176.773 0.3 . 1 . . . . 147 ASP C . 16183 1 318 . 1 1 29 29 ASP CA C 13 58.427 0.3 . 1 . . . . 147 ASP CA . 16183 1 319 . 1 1 29 29 ASP CB C 13 40.499 0.3 . 1 . . . . 147 ASP CB . 16183 1 320 . 1 1 29 29 ASP N N 15 118.616 0.3 . 1 . . . . 147 ASP N . 16183 1 321 . 1 1 30 30 ARG H H 1 8.227 0.020 . 1 . . . . 148 ARG H . 16183 1 322 . 1 1 30 30 ARG HA H 1 3.991 0.020 . 1 . . . . 148 ARG HA . 16183 1 323 . 1 1 30 30 ARG HB2 H 1 1.950 0.020 . 2 . . . . 148 ARG HB2 . 16183 1 324 . 1 1 30 30 ARG HB3 H 1 1.933 0.020 . 2 . . . . 148 ARG HB3 . 16183 1 325 . 1 1 30 30 ARG HD2 H 1 3.220 0.020 . 2 . . . . 148 ARG HD2 . 16183 1 326 . 1 1 30 30 ARG HD3 H 1 3.203 0.020 . 2 . . . . 148 ARG HD3 . 16183 1 327 . 1 1 30 30 ARG HE H 1 7.551 0.020 . 1 . . . . 148 ARG HE . 16183 1 328 . 1 1 30 30 ARG HG2 H 1 1.703 0.020 . 2 . . . . 148 ARG HG2 . 16183 1 329 . 1 1 30 30 ARG HG3 H 1 1.517 0.020 . 2 . . . . 148 ARG HG3 . 16183 1 330 . 1 1 30 30 ARG C C 13 175.009 0.3 . 1 . . . . 148 ARG C . 16183 1 331 . 1 1 30 30 ARG CA C 13 59.477 0.3 . 1 . . . . 148 ARG CA . 16183 1 332 . 1 1 30 30 ARG CB C 13 29.834 0.3 . 1 . . . . 148 ARG CB . 16183 1 333 . 1 1 30 30 ARG CD C 13 43.523 0.3 . 1 . . . . 148 ARG CD . 16183 1 334 . 1 1 30 30 ARG CG C 13 27.324 0.3 . 1 . . . . 148 ARG CG . 16183 1 335 . 1 1 30 30 ARG N N 15 120.683 0.3 . 1 . . . . 148 ARG N . 16183 1 336 . 1 1 30 30 ARG NE N 15 84.940 0.3 . 1 . . . . 148 ARG NE . 16183 1 337 . 1 1 31 31 TYR H H 1 8.560 0.020 . 1 . . . . 149 TYR H . 16183 1 338 . 1 1 31 31 TYR HA H 1 3.870 0.020 . 1 . . . . 149 TYR HA . 16183 1 339 . 1 1 31 31 TYR HB2 H 1 2.771 0.020 . 2 . . . . 149 TYR HB2 . 16183 1 340 . 1 1 31 31 TYR HB3 H 1 2.618 0.020 . 2 . . . . 149 TYR HB3 . 16183 1 341 . 1 1 31 31 TYR HD1 H 1 6.845 0.020 . 1 . . . . 149 TYR HD1 . 16183 1 342 . 1 1 31 31 TYR HD2 H 1 6.845 0.020 . 1 . . . . 149 TYR HD2 . 16183 1 343 . 1 1 31 31 TYR HE1 H 1 6.919 0.020 . 1 . . . . 149 TYR HE1 . 16183 1 344 . 1 1 31 31 TYR HE2 H 1 6.919 0.020 . 1 . . . . 149 TYR HE2 . 16183 1 345 . 1 1 31 31 TYR C C 13 177.385 0.3 . 1 . . . . 149 TYR C . 16183 1 346 . 1 1 31 31 TYR CA C 13 61.988 0.3 . 1 . . . . 149 TYR CA . 16183 1 347 . 1 1 31 31 TYR CB C 13 38.461 0.3 . 1 . . . . 149 TYR CB . 16183 1 348 . 1 1 31 31 TYR CD1 C 13 133.067 0.3 . 1 . . . . 149 TYR CD1 . 16183 1 349 . 1 1 31 31 TYR CE1 C 13 117.929 0.3 . 1 . . . . 149 TYR CE1 . 16183 1 350 . 1 1 31 31 TYR N N 15 121.381 0.3 . 1 . . . . 149 TYR N . 16183 1 351 . 1 1 32 32 TYR H H 1 8.839 0.020 . 1 . . . . 150 TYR H . 16183 1 352 . 1 1 32 32 TYR HA H 1 4.257 0.020 . 1 . . . . 150 TYR HA . 16183 1 353 . 1 1 32 32 TYR HB2 H 1 3.270 0.020 . 2 . . . . 150 TYR HB2 . 16183 1 354 . 1 1 32 32 TYR HB3 H 1 3.246 0.020 . 2 . . . . 150 TYR HB3 . 16183 1 355 . 1 1 32 32 TYR HD1 H 1 7.287 0.020 . 1 . . . . 150 TYR HD1 . 16183 1 356 . 1 1 32 32 TYR HD2 H 1 7.287 0.020 . 1 . . . . 150 TYR HD2 . 16183 1 357 . 1 1 32 32 TYR HE1 H 1 6.910 0.020 . 1 . . . . 150 TYR HE1 . 16183 1 358 . 1 1 32 32 TYR HE2 H 1 6.910 0.020 . 1 . . . . 150 TYR HE2 . 16183 1 359 . 1 1 32 32 TYR C C 13 174.341 0.3 . 1 . . . . 150 TYR C . 16183 1 360 . 1 1 32 32 TYR CA C 13 61.423 0.3 . 1 . . . . 150 TYR CA . 16183 1 361 . 1 1 32 32 TYR CB C 13 38.665 0.3 . 1 . . . . 150 TYR CB . 16183 1 362 . 1 1 32 32 TYR CD1 C 13 133.029 0.3 . 1 . . . . 150 TYR CD1 . 16183 1 363 . 1 1 32 32 TYR CE1 C 13 118.679 0.3 . 1 . . . . 150 TYR CE1 . 16183 1 364 . 1 1 32 32 TYR N N 15 119.045 0.3 . 1 . . . . 150 TYR N . 16183 1 365 . 1 1 33 33 ARG H H 1 7.757 0.020 . 1 . . . . 151 ARG H . 16183 1 366 . 1 1 33 33 ARG HA H 1 3.651 0.020 . 1 . . . . 151 ARG HA . 16183 1 367 . 1 1 33 33 ARG HB2 H 1 2.045 0.020 . 2 . . . . 151 ARG HB2 . 16183 1 368 . 1 1 33 33 ARG HB3 H 1 2.026 0.020 . 2 . . . . 151 ARG HB3 . 16183 1 369 . 1 1 33 33 ARG HD2 H 1 3.350 0.020 . 2 . . . . 151 ARG HD2 . 16183 1 370 . 1 1 33 33 ARG HD3 H 1 3.249 0.020 . 2 . . . . 151 ARG HD3 . 16183 1 371 . 1 1 33 33 ARG HE H 1 7.433 0.020 . 1 . . . . 151 ARG HE . 16183 1 372 . 1 1 33 33 ARG HG2 H 1 1.963 0.020 . 2 . . . . 151 ARG HG2 . 16183 1 373 . 1 1 33 33 ARG HG3 H 1 1.650 0.020 . 2 . . . . 151 ARG HG3 . 16183 1 374 . 1 1 33 33 ARG C C 13 176.946 0.3 . 1 . . . . 151 ARG C . 16183 1 375 . 1 1 33 33 ARG CA C 13 60.042 0.3 . 1 . . . . 151 ARG CA . 16183 1 376 . 1 1 33 33 ARG CB C 13 29.921 0.3 . 1 . . . . 151 ARG CB . 16183 1 377 . 1 1 33 33 ARG CD C 13 43.527 0.3 . 1 . . . . 151 ARG CD . 16183 1 378 . 1 1 33 33 ARG CG C 13 28.122 0.3 . 1 . . . . 151 ARG CG . 16183 1 379 . 1 1 33 33 ARG N N 15 117.984 0.3 . 1 . . . . 151 ARG N . 16183 1 380 . 1 1 33 33 ARG NE N 15 84.502 0.3 . 1 . . . . 151 ARG NE . 16183 1 381 . 1 1 34 34 GLU H H 1 8.047 0.020 . 1 . . . . 152 GLU H . 16183 1 382 . 1 1 34 34 GLU HA H 1 4.133 0.020 . 1 . . . . 152 GLU HA . 16183 1 383 . 1 1 34 34 GLU HB2 H 1 1.944 0.020 . 1 . . . . 152 GLU HB2 . 16183 1 384 . 1 1 34 34 GLU HB3 H 1 1.944 0.020 . 1 . . . . 152 GLU HB3 . 16183 1 385 . 1 1 34 34 GLU HG2 H 1 2.489 0.020 . 2 . . . . 152 GLU HG2 . 16183 1 386 . 1 1 34 34 GLU HG3 H 1 2.283 0.020 . 2 . . . . 152 GLU HG3 . 16183 1 387 . 1 1 34 34 GLU C C 13 175.058 0.3 . 1 . . . . 152 GLU C . 16183 1 388 . 1 1 34 34 GLU CA C 13 57.822 0.3 . 1 . . . . 152 GLU CA . 16183 1 389 . 1 1 34 34 GLU CB C 13 29.852 0.3 . 1 . . . . 152 GLU CB . 16183 1 390 . 1 1 34 34 GLU CG C 13 35.776 0.3 . 1 . . . . 152 GLU CG . 16183 1 391 . 1 1 34 34 GLU N N 15 115.217 0.3 . 1 . . . . 152 GLU N . 16183 1 392 . 1 1 35 35 ASN H H 1 7.641 0.020 . 1 . . . . 153 ASN H . 16183 1 393 . 1 1 35 35 ASN HA H 1 4.666 0.020 . 1 . . . . 153 ASN HA . 16183 1 394 . 1 1 35 35 ASN HB2 H 1 2.295 0.020 . 2 . . . . 153 ASN HB2 . 16183 1 395 . 1 1 35 35 ASN HB3 H 1 2.249 0.020 . 2 . . . . 153 ASN HB3 . 16183 1 396 . 1 1 35 35 ASN HD21 H 1 6.689 0.020 . 1 . . . . 153 ASN HD21 . 16183 1 397 . 1 1 35 35 ASN HD22 H 1 6.649 0.020 . 1 . . . . 153 ASN HD22 . 16183 1 398 . 1 1 35 35 ASN C C 13 172.992 0.3 . 1 . . . . 153 ASN C . 16183 1 399 . 1 1 35 35 ASN CA C 13 54.298 0.3 . 1 . . . . 153 ASN CA . 16183 1 400 . 1 1 35 35 ASN CB C 13 40.534 0.3 . 1 . . . . 153 ASN CB . 16183 1 401 . 1 1 35 35 ASN N N 15 114.941 0.3 . 1 . . . . 153 ASN N . 16183 1 402 . 1 1 35 35 ASN ND2 N 15 116.568 0.3 . 1 . . . . 153 ASN ND2 . 16183 1 403 . 1 1 36 36 GLN H H 1 7.598 0.020 . 1 . . . . 154 GLN H . 16183 1 404 . 1 1 36 36 GLN HA H 1 3.654 0.020 . 1 . . . . 154 GLN HA . 16183 1 405 . 1 1 36 36 GLN HB2 H 1 1.771 0.020 . 2 . . . . 154 GLN HB2 . 16183 1 406 . 1 1 36 36 GLN HB3 H 1 1.590 0.020 . 2 . . . . 154 GLN HB3 . 16183 1 407 . 1 1 36 36 GLN HE21 H 1 6.700 0.020 . 1 . . . . 154 GLN HE21 . 16183 1 408 . 1 1 36 36 GLN HE22 H 1 6.671 0.020 . 1 . . . . 154 GLN HE22 . 16183 1 409 . 1 1 36 36 GLN HG2 H 1 2.080 0.020 . 2 . . . . 154 GLN HG2 . 16183 1 410 . 1 1 36 36 GLN HG3 H 1 1.681 0.020 . 2 . . . . 154 GLN HG3 . 16183 1 411 . 1 1 36 36 GLN C C 13 173.514 0.3 . 1 . . . . 154 GLN C . 16183 1 412 . 1 1 36 36 GLN CA C 13 59.088 0.3 . 1 . . . . 154 GLN CA . 16183 1 413 . 1 1 36 36 GLN CB C 13 28.014 0.3 . 1 . . . . 154 GLN CB . 16183 1 414 . 1 1 36 36 GLN CG C 13 33.007 0.3 . 1 . . . . 154 GLN CG . 16183 1 415 . 1 1 36 36 GLN N N 15 118.038 0.3 . 1 . . . . 154 GLN N . 16183 1 416 . 1 1 36 36 GLN NE2 N 15 110.732 0.3 . 1 . . . . 154 GLN NE2 . 16183 1 417 . 1 1 37 37 TYR H H 1 7.523 0.020 . 1 . . . . 155 TYR H . 16183 1 418 . 1 1 37 37 TYR HA H 1 4.248 0.020 . 1 . . . . 155 TYR HA . 16183 1 419 . 1 1 37 37 TYR HB2 H 1 3.027 0.020 . 2 . . . . 155 TYR HB2 . 16183 1 420 . 1 1 37 37 TYR HB3 H 1 3.008 0.020 . 2 . . . . 155 TYR HB3 . 16183 1 421 . 1 1 37 37 TYR HD1 H 1 7.081 0.020 . 1 . . . . 155 TYR HD1 . 16183 1 422 . 1 1 37 37 TYR HD2 H 1 7.081 0.020 . 1 . . . . 155 TYR HD2 . 16183 1 423 . 1 1 37 37 TYR HE1 H 1 6.881 0.020 . 1 . . . . 155 TYR HE1 . 16183 1 424 . 1 1 37 37 TYR HE2 H 1 6.881 0.020 . 1 . . . . 155 TYR HE2 . 16183 1 425 . 1 1 37 37 TYR C C 13 173.501 0.3 . 1 . . . . 155 TYR C . 16183 1 426 . 1 1 37 37 TYR CA C 13 58.890 0.3 . 1 . . . . 155 TYR CA . 16183 1 427 . 1 1 37 37 TYR CB C 13 36.383 0.3 . 1 . . . . 155 TYR CB . 16183 1 428 . 1 1 37 37 TYR CD1 C 13 133.215 0.3 . 1 . . . . 155 TYR CD1 . 16183 1 429 . 1 1 37 37 TYR CE1 C 13 118.627 0.3 . 1 . . . . 155 TYR CE1 . 16183 1 430 . 1 1 37 37 TYR N N 15 115.736 0.3 . 1 . . . . 155 TYR N . 16183 1 431 . 1 1 38 38 ARG H H 1 7.407 0.020 . 1 . . . . 156 ARG H . 16183 1 432 . 1 1 38 38 ARG HA H 1 4.051 0.020 . 1 . . . . 156 ARG HA . 16183 1 433 . 1 1 38 38 ARG HB2 H 1 1.828 0.020 . 2 . . . . 156 ARG HB2 . 16183 1 434 . 1 1 38 38 ARG HB3 H 1 1.229 0.020 . 2 . . . . 156 ARG HB3 . 16183 1 435 . 1 1 38 38 ARG HD2 H 1 3.137 0.020 . 2 . . . . 156 ARG HD2 . 16183 1 436 . 1 1 38 38 ARG HD3 H 1 3.027 0.020 . 2 . . . . 156 ARG HD3 . 16183 1 437 . 1 1 38 38 ARG HE H 1 7.262 0.020 . 1 . . . . 156 ARG HE . 16183 1 438 . 1 1 38 38 ARG HG2 H 1 1.213 0.020 . 2 . . . . 156 ARG HG2 . 16183 1 439 . 1 1 38 38 ARG HG3 H 1 1.203 0.020 . 2 . . . . 156 ARG HG3 . 16183 1 440 . 1 1 38 38 ARG HH21 H 1 6.442 0.020 . 1 . . . . 156 ARG HH21 . 16183 1 441 . 1 1 38 38 ARG C C 13 174.100 0.3 . 1 . . . . 156 ARG C . 16183 1 442 . 1 1 38 38 ARG CA C 13 56.342 0.3 . 1 . . . . 156 ARG CA . 16183 1 443 . 1 1 38 38 ARG CB C 13 30.674 0.3 . 1 . . . . 156 ARG CB . 16183 1 444 . 1 1 38 38 ARG CD C 13 44.054 0.3 . 1 . . . . 156 ARG CD . 16183 1 445 . 1 1 38 38 ARG CG C 13 27.407 0.3 . 1 . . . . 156 ARG CG . 16183 1 446 . 1 1 38 38 ARG N N 15 118.718 0.3 . 1 . . . . 156 ARG N . 16183 1 447 . 1 1 38 38 ARG NE N 15 84.533 0.3 . 1 . . . . 156 ARG NE . 16183 1 448 . 1 1 39 39 TYR H H 1 7.499 0.020 . 1 . . . . 157 TYR H . 16183 1 449 . 1 1 39 39 TYR HA H 1 4.966 0.020 . 1 . . . . 157 TYR HA . 16183 1 450 . 1 1 39 39 TYR HB2 H 1 3.214 0.020 . 2 . . . . 157 TYR HB2 . 16183 1 451 . 1 1 39 39 TYR HB3 H 1 3.062 0.020 . 2 . . . . 157 TYR HB3 . 16183 1 452 . 1 1 39 39 TYR HD1 H 1 7.002 0.020 . 1 . . . . 157 TYR HD1 . 16183 1 453 . 1 1 39 39 TYR HD2 H 1 7.002 0.020 . 1 . . . . 157 TYR HD2 . 16183 1 454 . 1 1 39 39 TYR HE1 H 1 6.690 0.020 . 1 . . . . 157 TYR HE1 . 16183 1 455 . 1 1 39 39 TYR HE2 H 1 6.690 0.020 . 1 . . . . 157 TYR HE2 . 16183 1 456 . 1 1 39 39 TYR C C 13 170.605 0.3 . 1 . . . . 157 TYR C . 16183 1 457 . 1 1 39 39 TYR CA C 13 53.743 0.3 . 1 . . . . 157 TYR CA . 16183 1 458 . 1 1 39 39 TYR CB C 13 35.766 0.3 . 1 . . . . 157 TYR CB . 16183 1 459 . 1 1 39 39 TYR CD1 C 13 131.332 0.3 . 1 . . . . 157 TYR CD1 . 16183 1 460 . 1 1 39 39 TYR CE1 C 13 118.027 0.3 . 1 . . . . 157 TYR CE1 . 16183 1 461 . 1 1 39 39 TYR N N 15 120.163 0.3 . 1 . . . . 157 TYR N . 16183 1 462 . 1 1 40 40 PRO HA H 1 4.423 0.020 . 1 . . . . 158 PRO HA . 16183 1 463 . 1 1 40 40 PRO HB2 H 1 2.284 0.020 . 2 . . . . 158 PRO HB2 . 16183 1 464 . 1 1 40 40 PRO HB3 H 1 1.766 0.020 . 2 . . . . 158 PRO HB3 . 16183 1 465 . 1 1 40 40 PRO HD2 H 1 3.316 0.020 . 2 . . . . 158 PRO HD2 . 16183 1 466 . 1 1 40 40 PRO HD3 H 1 3.281 0.020 . 2 . . . . 158 PRO HD3 . 16183 1 467 . 1 1 40 40 PRO HG2 H 1 1.586 0.020 . 2 . . . . 158 PRO HG2 . 16183 1 468 . 1 1 40 40 PRO HG3 H 1 1.291 0.020 . 2 . . . . 158 PRO HG3 . 16183 1 469 . 1 1 40 40 PRO C C 13 172.905 0.3 . 1 . . . . 158 PRO C . 16183 1 470 . 1 1 40 40 PRO CA C 13 63.345 0.3 . 1 . . . . 158 PRO CA . 16183 1 471 . 1 1 40 40 PRO CB C 13 32.268 0.3 . 1 . . . . 158 PRO CB . 16183 1 472 . 1 1 40 40 PRO CD C 13 49.905 0.3 . 1 . . . . 158 PRO CD . 16183 1 473 . 1 1 40 40 PRO CG C 13 27.156 0.3 . 1 . . . . 158 PRO CG . 16183 1 474 . 1 1 41 41 ASN H H 1 8.632 0.020 . 1 . . . . 159 ASN H . 16183 1 475 . 1 1 41 41 ASN HA H 1 4.750 0.020 . 1 . . . . 159 ASN HA . 16183 1 476 . 1 1 41 41 ASN HB2 H 1 3.611 0.020 . 2 . . . . 159 ASN HB2 . 16183 1 477 . 1 1 41 41 ASN HB3 H 1 2.530 0.020 . 2 . . . . 159 ASN HB3 . 16183 1 478 . 1 1 41 41 ASN HD21 H 1 7.558 0.020 . 1 . . . . 159 ASN HD21 . 16183 1 479 . 1 1 41 41 ASN HD22 H 1 6.843 0.020 . 1 . . . . 159 ASN HD22 . 16183 1 480 . 1 1 41 41 ASN C C 13 170.497 0.3 . 1 . . . . 159 ASN C . 16183 1 481 . 1 1 41 41 ASN CA C 13 51.922 0.3 . 1 . . . . 159 ASN CA . 16183 1 482 . 1 1 41 41 ASN CB C 13 38.319 0.3 . 1 . . . . 159 ASN CB . 16183 1 483 . 1 1 41 41 ASN N N 15 116.614 0.3 . 1 . . . . 159 ASN N . 16183 1 484 . 1 1 41 41 ASN ND2 N 15 109.600 0.3 . 1 . . . . 159 ASN ND2 . 16183 1 485 . 1 1 42 42 GLN H H 1 7.281 0.020 . 1 . . . . 160 GLN H . 16183 1 486 . 1 1 42 42 GLN HA H 1 4.640 0.020 . 1 . . . . 160 GLN HA . 16183 1 487 . 1 1 42 42 GLN HB2 H 1 2.060 0.020 . 2 . . . . 160 GLN HB2 . 16183 1 488 . 1 1 42 42 GLN HB3 H 1 1.828 0.020 . 2 . . . . 160 GLN HB3 . 16183 1 489 . 1 1 42 42 GLN HE21 H 1 8.007 0.020 . 1 . . . . 160 GLN HE21 . 16183 1 490 . 1 1 42 42 GLN HE22 H 1 7.072 0.020 . 1 . . . . 160 GLN HE22 . 16183 1 491 . 1 1 42 42 GLN HG2 H 1 2.213 0.020 . 2 . . . . 160 GLN HG2 . 16183 1 492 . 1 1 42 42 GLN HG3 H 1 2.149 0.020 . 2 . . . . 160 GLN HG3 . 16183 1 493 . 1 1 42 42 GLN C C 13 172.732 0.3 . 1 . . . . 160 GLN C . 16183 1 494 . 1 1 42 42 GLN CA C 13 54.107 0.3 . 1 . . . . 160 GLN CA . 16183 1 495 . 1 1 42 42 GLN CB C 13 33.681 0.3 . 1 . . . . 160 GLN CB . 16183 1 496 . 1 1 42 42 GLN CG C 13 34.063 0.3 . 1 . . . . 160 GLN CG . 16183 1 497 . 1 1 42 42 GLN N N 15 114.546 0.3 . 1 . . . . 160 GLN N . 16183 1 498 . 1 1 42 42 GLN NE2 N 15 112.894 0.3 . 1 . . . . 160 GLN NE2 . 16183 1 499 . 1 1 43 43 VAL H H 1 8.679 0.020 . 1 . . . . 161 VAL H . 16183 1 500 . 1 1 43 43 VAL HA H 1 4.882 0.020 . 1 . . . . 161 VAL HA . 16183 1 501 . 1 1 43 43 VAL HB H 1 2.513 0.020 . 1 . . . . 161 VAL HB . 16183 1 502 . 1 1 43 43 VAL HG11 H 1 0.970 0.020 . 2 . . . . 161 VAL HG1 . 16183 1 503 . 1 1 43 43 VAL HG12 H 1 0.970 0.020 . 2 . . . . 161 VAL HG1 . 16183 1 504 . 1 1 43 43 VAL HG13 H 1 0.970 0.020 . 2 . . . . 161 VAL HG1 . 16183 1 505 . 1 1 43 43 VAL HG21 H 1 0.803 0.020 . 2 . . . . 161 VAL HG2 . 16183 1 506 . 1 1 43 43 VAL HG22 H 1 0.803 0.020 . 2 . . . . 161 VAL HG2 . 16183 1 507 . 1 1 43 43 VAL HG23 H 1 0.803 0.020 . 2 . . . . 161 VAL HG2 . 16183 1 508 . 1 1 43 43 VAL C C 13 171.217 0.3 . 1 . . . . 161 VAL C . 16183 1 509 . 1 1 43 43 VAL CA C 13 58.885 0.3 . 1 . . . . 161 VAL CA . 16183 1 510 . 1 1 43 43 VAL CB C 13 33.422 0.3 . 1 . . . . 161 VAL CB . 16183 1 511 . 1 1 43 43 VAL CG1 C 13 23.865 0.3 . 1 . . . . 161 VAL CG1 . 16183 1 512 . 1 1 43 43 VAL CG2 C 13 18.298 0.3 . 1 . . . . 161 VAL CG2 . 16183 1 513 . 1 1 43 43 VAL N N 15 113.718 0.3 . 1 . . . . 161 VAL N . 16183 1 514 . 1 1 44 44 MET H H 1 8.512 0.020 . 1 . . . . 162 MET H . 16183 1 515 . 1 1 44 44 MET HA H 1 5.531 0.020 . 1 . . . . 162 MET HA . 16183 1 516 . 1 1 44 44 MET HB2 H 1 1.748 0.020 . 2 . . . . 162 MET HB2 . 16183 1 517 . 1 1 44 44 MET HB3 H 1 1.698 0.020 . 2 . . . . 162 MET HB3 . 16183 1 518 . 1 1 44 44 MET HE1 H 1 1.874 0.020 . 1 . . . . 162 MET HE . 16183 1 519 . 1 1 44 44 MET HE2 H 1 1.874 0.020 . 1 . . . . 162 MET HE . 16183 1 520 . 1 1 44 44 MET HE3 H 1 1.874 0.020 . 1 . . . . 162 MET HE . 16183 1 521 . 1 1 44 44 MET HG2 H 1 2.475 0.020 . 2 . . . . 162 MET HG2 . 16183 1 522 . 1 1 44 44 MET HG3 H 1 2.355 0.020 . 2 . . . . 162 MET HG3 . 16183 1 523 . 1 1 44 44 MET C C 13 171.297 0.3 . 1 . . . . 162 MET C . 16183 1 524 . 1 1 44 44 MET CA C 13 54.302 0.3 . 1 . . . . 162 MET CA . 16183 1 525 . 1 1 44 44 MET CB C 13 36.527 0.3 . 1 . . . . 162 MET CB . 16183 1 526 . 1 1 44 44 MET CE C 13 17.419 0.3 . 1 . . . . 162 MET CE . 16183 1 527 . 1 1 44 44 MET CG C 13 32.982 0.3 . 1 . . . . 162 MET CG . 16183 1 528 . 1 1 44 44 MET N N 15 121.446 0.3 . 1 . . . . 162 MET N . 16183 1 529 . 1 1 45 45 TYR H H 1 8.261 0.020 . 1 . . . . 163 TYR H . 16183 1 530 . 1 1 45 45 TYR HA H 1 4.843 0.020 . 1 . . . . 163 TYR HA . 16183 1 531 . 1 1 45 45 TYR HB2 H 1 2.970 0.020 . 2 . . . . 163 TYR HB2 . 16183 1 532 . 1 1 45 45 TYR HB3 H 1 2.655 0.020 . 2 . . . . 163 TYR HB3 . 16183 1 533 . 1 1 45 45 TYR HD1 H 1 7.138 0.020 . 1 . . . . 163 TYR HD1 . 16183 1 534 . 1 1 45 45 TYR HD2 H 1 7.138 0.020 . 1 . . . . 163 TYR HD2 . 16183 1 535 . 1 1 45 45 TYR HE1 H 1 6.520 0.020 . 1 . . . . 163 TYR HE1 . 16183 1 536 . 1 1 45 45 TYR HE2 H 1 6.520 0.020 . 1 . . . . 163 TYR HE2 . 16183 1 537 . 1 1 45 45 TYR C C 13 171.222 0.3 . 1 . . . . 163 TYR C . 16183 1 538 . 1 1 45 45 TYR CA C 13 55.887 0.3 . 1 . . . . 163 TYR CA . 16183 1 539 . 1 1 45 45 TYR CB C 13 39.721 0.3 . 1 . . . . 163 TYR CB . 16183 1 540 . 1 1 45 45 TYR CD1 C 13 134.143 0.3 . 1 . . . . 163 TYR CD1 . 16183 1 541 . 1 1 45 45 TYR CE1 C 13 117.767 0.3 . 1 . . . . 163 TYR CE1 . 16183 1 542 . 1 1 45 45 TYR N N 15 112.737 0.3 . 1 . . . . 163 TYR N . 16183 1 543 . 1 1 46 46 ARG H H 1 8.057 0.020 . 1 . . . . 164 ARG H . 16183 1 544 . 1 1 46 46 ARG HA H 1 4.723 0.020 . 1 . . . . 164 ARG HA . 16183 1 545 . 1 1 46 46 ARG HB2 H 1 1.966 0.020 . 2 . . . . 164 ARG HB2 . 16183 1 546 . 1 1 46 46 ARG HB3 H 1 1.949 0.020 . 2 . . . . 164 ARG HB3 . 16183 1 547 . 1 1 46 46 ARG HD2 H 1 2.919 0.020 . 2 . . . . 164 ARG HD2 . 16183 1 548 . 1 1 46 46 ARG HD3 H 1 2.939 0.020 . 2 . . . . 164 ARG HD3 . 16183 1 549 . 1 1 46 46 ARG HE H 1 6.702 0.020 . 1 . . . . 164 ARG HE . 16183 1 550 . 1 1 46 46 ARG HG2 H 1 1.268 0.020 . 2 . . . . 164 ARG HG2 . 16183 1 551 . 1 1 46 46 ARG HG3 H 1 1.191 0.020 . 2 . . . . 164 ARG HG3 . 16183 1 552 . 1 1 46 46 ARG C C 13 170.022 0.3 . 1 . . . . 164 ARG C . 16183 1 553 . 1 1 46 46 ARG CA C 13 53.748 0.3 . 1 . . . . 164 ARG CA . 16183 1 554 . 1 1 46 46 ARG CB C 13 29.658 0.3 . 1 . . . . 164 ARG CB . 16183 1 555 . 1 1 46 46 ARG CD C 13 43.497 0.3 . 1 . . . . 164 ARG CD . 16183 1 556 . 1 1 46 46 ARG CG C 13 28.099 0.3 . 1 . . . . 164 ARG CG . 16183 1 557 . 1 1 46 46 ARG N N 15 119.929 0.3 . 1 . . . . 164 ARG N . 16183 1 558 . 1 1 46 46 ARG NE N 15 84.705 0.3 . 1 . . . . 164 ARG NE . 16183 1 559 . 1 1 47 47 PRO HA H 1 4.610 0.020 . 1 . . . . 165 PRO HA . 16183 1 560 . 1 1 47 47 PRO HB2 H 1 2.500 0.020 . 2 . . . . 165 PRO HB2 . 16183 1 561 . 1 1 47 47 PRO HB3 H 1 2.026 0.020 . 2 . . . . 165 PRO HB3 . 16183 1 562 . 1 1 47 47 PRO HD2 H 1 3.706 0.020 . 2 . . . . 165 PRO HD2 . 16183 1 563 . 1 1 47 47 PRO HD3 H 1 3.476 0.020 . 2 . . . . 165 PRO HD3 . 16183 1 564 . 1 1 47 47 PRO HG2 H 1 2.155 0.020 . 2 . . . . 165 PRO HG2 . 16183 1 565 . 1 1 47 47 PRO HG3 H 1 2.031 0.020 . 2 . . . . 165 PRO HG3 . 16183 1 566 . 1 1 47 47 PRO C C 13 175.856 0.3 . 1 . . . . 165 PRO C . 16183 1 567 . 1 1 47 47 PRO CA C 13 63.587 0.3 . 1 . . . . 165 PRO CA . 16183 1 568 . 1 1 47 47 PRO CB C 13 32.650 0.3 . 1 . . . . 165 PRO CB . 16183 1 569 . 1 1 47 47 PRO CD C 13 50.128 0.3 . 1 . . . . 165 PRO CD . 16183 1 570 . 1 1 47 47 PRO CG C 13 28.297 0.3 . 1 . . . . 165 PRO CG . 16183 1 571 . 1 1 48 48 ILE H H 1 8.523 0.020 . 1 . . . . 166 ILE H . 16183 1 572 . 1 1 48 48 ILE HA H 1 4.391 0.020 . 1 . . . . 166 ILE HA . 16183 1 573 . 1 1 48 48 ILE HB H 1 1.933 0.020 . 1 . . . . 166 ILE HB . 16183 1 574 . 1 1 48 48 ILE HD11 H 1 0.531 0.020 . 1 . . . . 166 ILE HD1 . 16183 1 575 . 1 1 48 48 ILE HD12 H 1 0.531 0.020 . 1 . . . . 166 ILE HD1 . 16183 1 576 . 1 1 48 48 ILE HD13 H 1 0.531 0.020 . 1 . . . . 166 ILE HD1 . 16183 1 577 . 1 1 48 48 ILE HG12 H 1 1.217 0.020 . 1 . . . . 166 ILE HG12 . 16183 1 578 . 1 1 48 48 ILE HG13 H 1 1.217 0.020 . 1 . . . . 166 ILE HG13 . 16183 1 579 . 1 1 48 48 ILE HG21 H 1 0.805 0.020 . 1 . . . . 166 ILE HG2 . 16183 1 580 . 1 1 48 48 ILE HG22 H 1 0.805 0.020 . 1 . . . . 166 ILE HG2 . 16183 1 581 . 1 1 48 48 ILE HG23 H 1 0.805 0.020 . 1 . . . . 166 ILE HG2 . 16183 1 582 . 1 1 48 48 ILE C C 13 174.728 0.3 . 1 . . . . 166 ILE C . 16183 1 583 . 1 1 48 48 ILE CA C 13 65.481 0.3 . 1 . . . . 166 ILE CA . 16183 1 584 . 1 1 48 48 ILE CB C 13 38.395 0.3 . 1 . . . . 166 ILE CB . 16183 1 585 . 1 1 48 48 ILE CD1 C 13 14.004 0.3 . 1 . . . . 166 ILE CD1 . 16183 1 586 . 1 1 48 48 ILE CG1 C 13 27.075 0.3 . 1 . . . . 166 ILE CG1 . 16183 1 587 . 1 1 48 48 ILE CG2 C 13 18.197 0.3 . 1 . . . . 166 ILE CG2 . 16183 1 588 . 1 1 48 48 ILE N N 15 117.157 0.3 . 1 . . . . 166 ILE N . 16183 1 589 . 1 1 49 49 ASP H H 1 8.332 0.020 . 1 . . . . 167 ASP H . 16183 1 590 . 1 1 49 49 ASP HA H 1 4.656 0.020 . 1 . . . . 167 ASP HA . 16183 1 591 . 1 1 49 49 ASP HB2 H 1 2.978 0.020 . 2 . . . . 167 ASP HB2 . 16183 1 592 . 1 1 49 49 ASP HB3 H 1 2.755 0.020 . 2 . . . . 167 ASP HB3 . 16183 1 593 . 1 1 49 49 ASP C C 13 174.606 0.3 . 1 . . . . 167 ASP C . 16183 1 594 . 1 1 49 49 ASP CA C 13 54.501 0.3 . 1 . . . . 167 ASP CA . 16183 1 595 . 1 1 49 49 ASP CB C 13 39.166 0.3 . 1 . . . . 167 ASP CB . 16183 1 596 . 1 1 49 49 ASP N N 15 118.409 0.3 . 1 . . . . 167 ASP N . 16183 1 597 . 1 1 50 50 GLN H H 1 8.308 0.020 . 1 . . . . 168 GLN H . 16183 1 598 . 1 1 50 50 GLN HA H 1 4.117 0.020 . 1 . . . . 168 GLN HA . 16183 1 599 . 1 1 50 50 GLN HB2 H 1 1.907 0.020 . 2 . . . . 168 GLN HB2 . 16183 1 600 . 1 1 50 50 GLN HB3 H 1 1.725 0.020 . 2 . . . . 168 GLN HB3 . 16183 1 601 . 1 1 50 50 GLN HE21 H 1 7.605 0.020 . 1 . . . . 168 GLN HE21 . 16183 1 602 . 1 1 50 50 GLN HE22 H 1 6.840 0.020 . 1 . . . . 168 GLN HE22 . 16183 1 603 . 1 1 50 50 GLN HG2 H 1 2.260 0.020 . 2 . . . . 168 GLN HG2 . 16183 1 604 . 1 1 50 50 GLN HG3 H 1 2.217 0.020 . 2 . . . . 168 GLN HG3 . 16183 1 605 . 1 1 50 50 GLN C C 13 172.406 0.3 . 1 . . . . 168 GLN C . 16183 1 606 . 1 1 50 50 GLN CA C 13 55.763 0.3 . 1 . . . . 168 GLN CA . 16183 1 607 . 1 1 50 50 GLN CB C 13 27.426 0.3 . 1 . . . . 168 GLN CB . 16183 1 608 . 1 1 50 50 GLN CG C 13 34.231 0.3 . 1 . . . . 168 GLN CG . 16183 1 609 . 1 1 50 50 GLN N N 15 117.786 0.3 . 1 . . . . 168 GLN N . 16183 1 610 . 1 1 50 50 GLN NE2 N 15 112.816 0.3 . 1 . . . . 168 GLN NE2 . 16183 1 611 . 1 1 51 51 TYR H H 1 7.887 0.020 . 1 . . . . 169 TYR H . 16183 1 612 . 1 1 51 51 TYR HA H 1 4.861 0.020 . 1 . . . . 169 TYR HA . 16183 1 613 . 1 1 51 51 TYR HB2 H 1 3.434 0.020 . 2 . . . . 169 TYR HB2 . 16183 1 614 . 1 1 51 51 TYR HB3 H 1 3.064 0.020 . 2 . . . . 169 TYR HB3 . 16183 1 615 . 1 1 51 51 TYR HD1 H 1 7.381 0.020 . 1 . . . . 169 TYR HD1 . 16183 1 616 . 1 1 51 51 TYR HD2 H 1 7.381 0.020 . 1 . . . . 169 TYR HD2 . 16183 1 617 . 1 1 51 51 TYR HE1 H 1 6.990 0.020 . 1 . . . . 169 TYR HE1 . 16183 1 618 . 1 1 51 51 TYR HE2 H 1 6.990 0.020 . 1 . . . . 169 TYR HE2 . 16183 1 619 . 1 1 51 51 TYR C C 13 173.889 0.3 . 1 . . . . 169 TYR C . 16183 1 620 . 1 1 51 51 TYR CA C 13 57.243 0.3 . 1 . . . . 169 TYR CA . 16183 1 621 . 1 1 51 51 TYR CB C 13 42.236 0.3 . 1 . . . . 169 TYR CB . 16183 1 622 . 1 1 51 51 TYR CD1 C 13 134.138 0.3 . 1 . . . . 169 TYR CD1 . 16183 1 623 . 1 1 51 51 TYR CE1 C 13 118.935 0.3 . 1 . . . . 169 TYR CE1 . 16183 1 624 . 1 1 51 51 TYR N N 15 116.921 0.3 . 1 . . . . 169 TYR N . 16183 1 625 . 1 1 52 52 GLY H H 1 9.064 0.020 . 1 . . . . 170 GLY H . 16183 1 626 . 1 1 52 52 GLY HA2 H 1 4.354 0.020 . 1 . . . . 170 GLY HA2 . 16183 1 627 . 1 1 52 52 GLY CA C 13 45.147 0.3 . 1 . . . . 170 GLY CA . 16183 1 628 . 1 1 52 52 GLY N N 15 107.433 0.3 . 1 . . . . 170 GLY N . 16183 1 629 . 1 1 53 53 SER HA H 1 4.709 0.020 . 1 . . . . 171 SER HA . 16183 1 630 . 1 1 53 53 SER HB2 H 1 4.141 0.020 . 2 . . . . 171 SER HB2 . 16183 1 631 . 1 1 53 53 SER HB3 H 1 4.122 0.020 . 2 . . . . 171 SER HB3 . 16183 1 632 . 1 1 53 53 SER C C 13 171.124 0.3 . 1 . . . . 171 SER C . 16183 1 633 . 1 1 53 53 SER CA C 13 56.794 0.3 . 1 . . . . 171 SER CA . 16183 1 634 . 1 1 53 53 SER CB C 13 65.770 0.3 . 1 . . . . 171 SER CB . 16183 1 635 . 1 1 54 54 GLN H H 1 8.912 0.020 . 1 . . . . 172 GLN H . 16183 1 636 . 1 1 54 54 GLN HA H 1 2.983 0.020 . 1 . . . . 172 GLN HA . 16183 1 637 . 1 1 54 54 GLN HB2 H 1 1.586 0.020 . 2 . . . . 172 GLN HB2 . 16183 1 638 . 1 1 54 54 GLN HB3 H 1 1.545 0.020 . 2 . . . . 172 GLN HB3 . 16183 1 639 . 1 1 54 54 GLN HE21 H 1 7.093 0.020 . 1 . . . . 172 GLN HE21 . 16183 1 640 . 1 1 54 54 GLN HE22 H 1 6.895 0.020 . 1 . . . . 172 GLN HE22 . 16183 1 641 . 1 1 54 54 GLN HG2 H 1 1.721 0.020 . 2 . . . . 172 GLN HG2 . 16183 1 642 . 1 1 54 54 GLN HG3 H 1 1.050 0.020 . 2 . . . . 172 GLN HG3 . 16183 1 643 . 1 1 54 54 GLN C C 13 175.165 0.3 . 1 . . . . 172 GLN C . 16183 1 644 . 1 1 54 54 GLN CA C 13 59.024 0.3 . 1 . . . . 172 GLN CA . 16183 1 645 . 1 1 54 54 GLN CB C 13 28.588 0.3 . 1 . . . . 172 GLN CB . 16183 1 646 . 1 1 54 54 GLN CG C 13 33.341 0.3 . 1 . . . . 172 GLN CG . 16183 1 647 . 1 1 54 54 GLN N N 15 122.103 0.3 . 1 . . . . 172 GLN N . 16183 1 648 . 1 1 54 54 GLN NE2 N 15 111.346 0.3 . 1 . . . . 172 GLN NE2 . 16183 1 649 . 1 1 55 55 ASN H H 1 8.647 0.020 . 1 . . . . 173 ASN H . 16183 1 650 . 1 1 55 55 ASN HA H 1 4.221 0.020 . 1 . . . . 173 ASN HA . 16183 1 651 . 1 1 55 55 ASN HB2 H 1 2.759 0.020 . 2 . . . . 173 ASN HB2 . 16183 1 652 . 1 1 55 55 ASN HB3 H 1 2.661 0.020 . 2 . . . . 173 ASN HB3 . 16183 1 653 . 1 1 55 55 ASN HD21 H 1 7.644 0.020 . 1 . . . . 173 ASN HD21 . 16183 1 654 . 1 1 55 55 ASN HD22 H 1 6.980 0.020 . 1 . . . . 173 ASN HD22 . 16183 1 655 . 1 1 55 55 ASN C C 13 175.359 0.3 . 1 . . . . 173 ASN C . 16183 1 656 . 1 1 55 55 ASN CA C 13 56.462 0.3 . 1 . . . . 173 ASN CA . 16183 1 657 . 1 1 55 55 ASN CB C 13 37.827 0.3 . 1 . . . . 173 ASN CB . 16183 1 658 . 1 1 55 55 ASN N N 15 116.220 0.3 . 1 . . . . 173 ASN N . 16183 1 659 . 1 1 55 55 ASN ND2 N 15 112.420 0.3 . 1 . . . . 173 ASN ND2 . 16183 1 660 . 1 1 56 56 SER H H 1 8.022 0.020 . 1 . . . . 174 SER H . 16183 1 661 . 1 1 56 56 SER HA H 1 4.301 0.020 . 1 . . . . 174 SER HA . 16183 1 662 . 1 1 56 56 SER HB2 H 1 4.194 0.020 . 2 . . . . 174 SER HB2 . 16183 1 663 . 1 1 56 56 SER HB3 H 1 4.143 0.020 . 2 . . . . 174 SER HB3 . 16183 1 664 . 1 1 56 56 SER C C 13 174.101 0.3 . 1 . . . . 174 SER C . 16183 1 665 . 1 1 56 56 SER CA C 13 61.577 0.3 . 1 . . . . 174 SER CA . 16183 1 666 . 1 1 56 56 SER CB C 13 62.879 0.3 . 1 . . . . 174 SER CB . 16183 1 667 . 1 1 56 56 SER N N 15 115.424 0.3 . 1 . . . . 174 SER N . 16183 1 668 . 1 1 57 57 PHE H H 1 7.435 0.020 . 1 . . . . 175 PHE H . 16183 1 669 . 1 1 57 57 PHE HB2 H 1 3.210 0.020 . 2 . . . . 175 PHE HB2 . 16183 1 670 . 1 1 57 57 PHE HB3 H 1 3.190 0.020 . 2 . . . . 175 PHE HB3 . 16183 1 671 . 1 1 57 57 PHE HD1 H 1 7.219 0.020 . 1 . . . . 175 PHE HD1 . 16183 1 672 . 1 1 57 57 PHE HD2 H 1 7.219 0.020 . 1 . . . . 175 PHE HD2 . 16183 1 673 . 1 1 57 57 PHE HE1 H 1 7.879 0.020 . 1 . . . . 175 PHE HE1 . 16183 1 674 . 1 1 57 57 PHE HE2 H 1 7.879 0.020 . 1 . . . . 175 PHE HE2 . 16183 1 675 . 1 1 57 57 PHE HZ H 1 6.605 0.020 . 1 . . . . 175 PHE HZ . 16183 1 676 . 1 1 57 57 PHE C C 13 174.686 0.3 . 1 . . . . 175 PHE C . 16183 1 677 . 1 1 57 57 PHE CA C 13 60.954 0.3 . 1 . . . . 175 PHE CA . 16183 1 678 . 1 1 57 57 PHE CB C 13 38.699 0.3 . 1 . . . . 175 PHE CB . 16183 1 679 . 1 1 57 57 PHE CD1 C 13 132.687 0.3 . 1 . . . . 175 PHE CD1 . 16183 1 680 . 1 1 57 57 PHE CE1 C 13 132.421 0.3 . 1 . . . . 175 PHE CE1 . 16183 1 681 . 1 1 57 57 PHE CZ C 13 128.978 0.3 . 1 . . . . 175 PHE CZ . 16183 1 682 . 1 1 57 57 PHE N N 15 123.536 0.3 . 1 . . . . 175 PHE N . 16183 1 683 . 1 1 58 58 VAL H H 1 8.970 0.020 . 1 . . . . 176 VAL H . 16183 1 684 . 1 1 58 58 VAL HA H 1 3.326 0.020 . 1 . . . . 176 VAL HA . 16183 1 685 . 1 1 58 58 VAL HB H 1 2.155 0.020 . 1 . . . . 176 VAL HB . 16183 1 686 . 1 1 58 58 VAL HG11 H 1 1.064 0.020 . 2 . . . . 176 VAL HG1 . 16183 1 687 . 1 1 58 58 VAL HG12 H 1 1.064 0.020 . 2 . . . . 176 VAL HG1 . 16183 1 688 . 1 1 58 58 VAL HG13 H 1 1.064 0.020 . 2 . . . . 176 VAL HG1 . 16183 1 689 . 1 1 58 58 VAL HG21 H 1 1.017 0.020 . 2 . . . . 176 VAL HG2 . 16183 1 690 . 1 1 58 58 VAL HG22 H 1 1.017 0.020 . 2 . . . . 176 VAL HG2 . 16183 1 691 . 1 1 58 58 VAL HG23 H 1 1.017 0.020 . 2 . . . . 176 VAL HG2 . 16183 1 692 . 1 1 58 58 VAL C C 13 174.354 0.3 . 1 . . . . 176 VAL C . 16183 1 693 . 1 1 58 58 VAL CA C 13 67.484 0.3 . 1 . . . . 176 VAL CA . 16183 1 694 . 1 1 58 58 VAL CB C 13 31.961 0.3 . 1 . . . . 176 VAL CB . 16183 1 695 . 1 1 58 58 VAL CG1 C 13 24.564 0.3 . 1 . . . . 176 VAL CG1 . 16183 1 696 . 1 1 58 58 VAL CG2 C 13 21.957 0.3 . 1 . . . . 176 VAL CG2 . 16183 1 697 . 1 1 58 58 VAL N N 15 120.231 0.3 . 1 . . . . 176 VAL N . 16183 1 698 . 1 1 59 59 HIS H H 1 8.207 0.020 . 1 . . . . 177 HIS H . 16183 1 699 . 1 1 59 59 HIS HA H 1 4.277 0.020 . 1 . . . . 177 HIS HA . 16183 1 700 . 1 1 59 59 HIS HB2 H 1 3.341 0.020 . 2 . . . . 177 HIS HB2 . 16183 1 701 . 1 1 59 59 HIS HB3 H 1 3.319 0.020 . 2 . . . . 177 HIS HB3 . 16183 1 702 . 1 1 59 59 HIS HD2 H 1 7.383 0.020 . 1 . . . . 177 HIS HD2 . 16183 1 703 . 1 1 59 59 HIS HE1 H 1 8.627 0.020 . 1 . . . . 177 HIS HE1 . 16183 1 704 . 1 1 59 59 HIS C C 13 174.513 0.3 . 1 . . . . 177 HIS C . 16183 1 705 . 1 1 59 59 HIS CA C 13 59.087 0.3 . 1 . . . . 177 HIS CA . 16183 1 706 . 1 1 59 59 HIS CB C 13 28.156 0.3 . 1 . . . . 177 HIS CB . 16183 1 707 . 1 1 59 59 HIS CD2 C 13 120.284 0.3 . 1 . . . . 177 HIS CD2 . 16183 1 708 . 1 1 59 59 HIS CE1 C 13 136.451 0.3 . 1 . . . . 177 HIS CE1 . 16183 1 709 . 1 1 59 59 HIS N N 15 116.180 0.3 . 1 . . . . 177 HIS N . 16183 1 710 . 1 1 60 60 ASP H H 1 7.428 0.020 . 1 . . . . 178 ASP H . 16183 1 711 . 1 1 60 60 ASP HA H 1 4.635 0.020 . 1 . . . . 178 ASP HA . 16183 1 712 . 1 1 60 60 ASP HB2 H 1 2.983 0.020 . 2 . . . . 178 ASP HB2 . 16183 1 713 . 1 1 60 60 ASP HB3 H 1 2.839 0.020 . 2 . . . . 178 ASP HB3 . 16183 1 714 . 1 1 60 60 ASP C C 13 173.477 0.3 . 1 . . . . 178 ASP C . 16183 1 715 . 1 1 60 60 ASP CA C 13 57.037 0.3 . 1 . . . . 178 ASP CA . 16183 1 716 . 1 1 60 60 ASP CB C 13 41.158 0.3 . 1 . . . . 178 ASP CB . 16183 1 717 . 1 1 60 60 ASP N N 15 118.403 0.3 . 1 . . . . 178 ASP N . 16183 1 718 . 1 1 61 61 CYS H H 1 8.293 0.020 . 1 . . . . 179 CYS H . 16183 1 719 . 1 1 61 61 CYS HA H 1 4.603 0.020 . 1 . . . . 179 CYS HA . 16183 1 720 . 1 1 61 61 CYS HB2 H 1 3.113 0.020 . 2 . . . . 179 CYS HB2 . 16183 1 721 . 1 1 61 61 CYS HB3 H 1 2.655 0.020 . 2 . . . . 179 CYS HB3 . 16183 1 722 . 1 1 61 61 CYS C C 13 174.886 0.3 . 1 . . . . 179 CYS C . 16183 1 723 . 1 1 61 61 CYS CA C 13 58.698 0.3 . 1 . . . . 179 CYS CA . 16183 1 724 . 1 1 61 61 CYS CB C 13 40.716 0.3 . 1 . . . . 179 CYS CB . 16183 1 725 . 1 1 61 61 CYS N N 15 119.416 0.3 . 1 . . . . 179 CYS N . 16183 1 726 . 1 1 62 62 VAL H H 1 9.026 0.020 . 1 . . . . 180 VAL H . 16183 1 727 . 1 1 62 62 VAL HA H 1 3.632 0.020 . 1 . . . . 180 VAL HA . 16183 1 728 . 1 1 62 62 VAL HB H 1 2.120 0.020 . 1 . . . . 180 VAL HB . 16183 1 729 . 1 1 62 62 VAL HG11 H 1 1.045 0.020 . 2 . . . . 180 VAL HG1 . 16183 1 730 . 1 1 62 62 VAL HG12 H 1 1.045 0.020 . 2 . . . . 180 VAL HG1 . 16183 1 731 . 1 1 62 62 VAL HG13 H 1 1.045 0.020 . 2 . . . . 180 VAL HG1 . 16183 1 732 . 1 1 62 62 VAL HG21 H 1 0.934 0.020 . 2 . . . . 180 VAL HG2 . 16183 1 733 . 1 1 62 62 VAL HG22 H 1 0.934 0.020 . 2 . . . . 180 VAL HG2 . 16183 1 734 . 1 1 62 62 VAL HG23 H 1 0.934 0.020 . 2 . . . . 180 VAL HG2 . 16183 1 735 . 1 1 62 62 VAL C C 13 174.540 0.3 . 1 . . . . 180 VAL C . 16183 1 736 . 1 1 62 62 VAL CA C 13 66.100 0.3 . 1 . . . . 180 VAL CA . 16183 1 737 . 1 1 62 62 VAL CB C 13 31.785 0.3 . 1 . . . . 180 VAL CB . 16183 1 738 . 1 1 62 62 VAL CG1 C 13 23.270 0.3 . 1 . . . . 180 VAL CG1 . 16183 1 739 . 1 1 62 62 VAL CG2 C 13 21.285 0.3 . 1 . . . . 180 VAL CG2 . 16183 1 740 . 1 1 62 62 VAL N N 15 123.812 0.3 . 1 . . . . 180 VAL N . 16183 1 741 . 1 1 63 63 ASN H H 1 7.541 0.020 . 1 . . . . 181 ASN H . 16183 1 742 . 1 1 63 63 ASN HA H 1 4.318 0.020 . 1 . . . . 181 ASN HA . 16183 1 743 . 1 1 63 63 ASN HB2 H 1 2.891 0.020 . 2 . . . . 181 ASN HB2 . 16183 1 744 . 1 1 63 63 ASN HB3 H 1 2.828 0.020 . 2 . . . . 181 ASN HB3 . 16183 1 745 . 1 1 63 63 ASN HD21 H 1 7.710 0.020 . 1 . . . . 181 ASN HD21 . 16183 1 746 . 1 1 63 63 ASN HD22 H 1 6.787 0.020 . 1 . . . . 181 ASN HD22 . 16183 1 747 . 1 1 63 63 ASN C C 13 175.895 0.3 . 1 . . . . 181 ASN C . 16183 1 748 . 1 1 63 63 ASN CA C 13 56.588 0.3 . 1 . . . . 181 ASN CA . 16183 1 749 . 1 1 63 63 ASN CB C 13 38.649 0.3 . 1 . . . . 181 ASN CB . 16183 1 750 . 1 1 63 63 ASN N N 15 116.961 0.3 . 1 . . . . 181 ASN N . 16183 1 751 . 1 1 63 63 ASN ND2 N 15 111.963 0.3 . 1 . . . . 181 ASN ND2 . 16183 1 752 . 1 1 64 64 ILE H H 1 8.934 0.020 . 1 . . . . 182 ILE H . 16183 1 753 . 1 1 64 64 ILE HA H 1 3.749 0.020 . 1 . . . . 182 ILE HA . 16183 1 754 . 1 1 64 64 ILE HB H 1 1.612 0.020 . 1 . . . . 182 ILE HB . 16183 1 755 . 1 1 64 64 ILE HD11 H 1 0.543 0.020 . 1 . . . . 182 ILE HD1 . 16183 1 756 . 1 1 64 64 ILE HD12 H 1 0.543 0.020 . 1 . . . . 182 ILE HD1 . 16183 1 757 . 1 1 64 64 ILE HD13 H 1 0.543 0.020 . 1 . . . . 182 ILE HD1 . 16183 1 758 . 1 1 64 64 ILE HG12 H 1 0.841 0.020 . 1 . . . . 182 ILE HG12 . 16183 1 759 . 1 1 64 64 ILE HG13 H 1 0.841 0.020 . 1 . . . . 182 ILE HG13 . 16183 1 760 . 1 1 64 64 ILE HG21 H 1 0.394 0.020 . 1 . . . . 182 ILE HG2 . 16183 1 761 . 1 1 64 64 ILE HG22 H 1 0.394 0.020 . 1 . . . . 182 ILE HG2 . 16183 1 762 . 1 1 64 64 ILE HG23 H 1 0.394 0.020 . 1 . . . . 182 ILE HG2 . 16183 1 763 . 1 1 64 64 ILE C C 13 175.582 0.3 . 1 . . . . 182 ILE C . 16183 1 764 . 1 1 64 64 ILE CA C 13 63.041 0.3 . 1 . . . . 182 ILE CA . 16183 1 765 . 1 1 64 64 ILE CB C 13 37.453 0.3 . 1 . . . . 182 ILE CB . 16183 1 766 . 1 1 64 64 ILE CD1 C 13 12.670 0.3 . 1 . . . . 182 ILE CD1 . 16183 1 767 . 1 1 64 64 ILE CG1 C 13 28.080 0.3 . 1 . . . . 182 ILE CG1 . 16183 1 768 . 1 1 64 64 ILE CG2 C 13 18.251 0.3 . 1 . . . . 182 ILE CG2 . 16183 1 769 . 1 1 64 64 ILE N N 15 118.983 0.3 . 1 . . . . 182 ILE N . 16183 1 770 . 1 1 65 65 THR H H 1 8.080 0.020 . 1 . . . . 183 THR H . 16183 1 771 . 1 1 65 65 THR HA H 1 3.927 0.020 . 1 . . . . 183 THR HA . 16183 1 772 . 1 1 65 65 THR HB H 1 4.413 0.020 . 1 . . . . 183 THR HB . 16183 1 773 . 1 1 65 65 THR HG1 H 1 6.155 0.020 . 1 . . . . 183 THR HG1 . 16183 1 774 . 1 1 65 65 THR HG21 H 1 1.357 0.020 . 1 . . . . 183 THR HG2 . 16183 1 775 . 1 1 65 65 THR HG22 H 1 1.357 0.020 . 1 . . . . 183 THR HG2 . 16183 1 776 . 1 1 65 65 THR HG23 H 1 1.357 0.020 . 1 . . . . 183 THR HG2 . 16183 1 777 . 1 1 65 65 THR C C 13 175.298 0.3 . 1 . . . . 183 THR C . 16183 1 778 . 1 1 65 65 THR CA C 13 68.231 0.3 . 1 . . . . 183 THR CA . 16183 1 779 . 1 1 65 65 THR CB C 13 68.333 0.3 . 1 . . . . 183 THR CB . 16183 1 780 . 1 1 65 65 THR CG2 C 13 21.867 0.3 . 1 . . . . 183 THR CG2 . 16183 1 781 . 1 1 65 65 THR N N 15 117.879 0.3 . 1 . . . . 183 THR N . 16183 1 782 . 1 1 66 66 VAL H H 1 8.797 0.020 . 1 . . . . 184 VAL H . 16183 1 783 . 1 1 66 66 VAL HA H 1 3.583 0.020 . 1 . . . . 184 VAL HA . 16183 1 784 . 1 1 66 66 VAL HB H 1 2.287 0.020 . 1 . . . . 184 VAL HB . 16183 1 785 . 1 1 66 66 VAL HG11 H 1 1.005 0.020 . 2 . . . . 184 VAL HG1 . 16183 1 786 . 1 1 66 66 VAL HG12 H 1 1.005 0.020 . 2 . . . . 184 VAL HG1 . 16183 1 787 . 1 1 66 66 VAL HG13 H 1 1.005 0.020 . 2 . . . . 184 VAL HG1 . 16183 1 788 . 1 1 66 66 VAL HG21 H 1 0.927 0.020 . 2 . . . . 184 VAL HG2 . 16183 1 789 . 1 1 66 66 VAL HG22 H 1 0.927 0.020 . 2 . . . . 184 VAL HG2 . 16183 1 790 . 1 1 66 66 VAL HG23 H 1 0.927 0.020 . 2 . . . . 184 VAL HG2 . 16183 1 791 . 1 1 66 66 VAL C C 13 176.361 0.3 . 1 . . . . 184 VAL C . 16183 1 792 . 1 1 66 66 VAL CA C 13 67.613 0.3 . 1 . . . . 184 VAL CA . 16183 1 793 . 1 1 66 66 VAL CB C 13 31.331 0.3 . 1 . . . . 184 VAL CB . 16183 1 794 . 1 1 66 66 VAL CG1 C 13 23.593 0.3 . 1 . . . . 184 VAL CG1 . 16183 1 795 . 1 1 66 66 VAL CG2 C 13 21.118 0.3 . 1 . . . . 184 VAL CG2 . 16183 1 796 . 1 1 66 66 VAL N N 15 120.689 0.3 . 1 . . . . 184 VAL N . 16183 1 797 . 1 1 67 67 LYS H H 1 8.047 0.020 . 1 . . . . 185 LYS H . 16183 1 798 . 1 1 67 67 LYS HA H 1 4.067 0.020 . 1 . . . . 185 LYS HA . 16183 1 799 . 1 1 67 67 LYS HB2 H 1 1.999 0.020 . 1 . . . . 185 LYS HB2 . 16183 1 800 . 1 1 67 67 LYS HB3 H 1 1.999 0.020 . 1 . . . . 185 LYS HB3 . 16183 1 801 . 1 1 67 67 LYS HD2 H 1 1.652 0.020 . 1 . . . . 185 LYS HD2 . 16183 1 802 . 1 1 67 67 LYS HD3 H 1 1.652 0.020 . 1 . . . . 185 LYS HD3 . 16183 1 803 . 1 1 67 67 LYS HE2 H 1 2.959 0.020 . 1 . . . . 185 LYS HE2 . 16183 1 804 . 1 1 67 67 LYS HE3 H 1 2.959 0.020 . 1 . . . . 185 LYS HE3 . 16183 1 805 . 1 1 67 67 LYS HG2 H 1 1.494 0.020 . 2 . . . . 185 LYS HG2 . 16183 1 806 . 1 1 67 67 LYS HG3 H 1 1.417 0.020 . 2 . . . . 185 LYS HG3 . 16183 1 807 . 1 1 67 67 LYS C C 13 176.906 0.3 . 1 . . . . 185 LYS C . 16183 1 808 . 1 1 67 67 LYS CA C 13 59.646 0.3 . 1 . . . . 185 LYS CA . 16183 1 809 . 1 1 67 67 LYS CB C 13 32.077 0.3 . 1 . . . . 185 LYS CB . 16183 1 810 . 1 1 67 67 LYS CD C 13 29.100 0.3 . 1 . . . . 185 LYS CD . 16183 1 811 . 1 1 67 67 LYS CE C 13 41.902 0.3 . 1 . . . . 185 LYS CE . 16183 1 812 . 1 1 67 67 LYS CG C 13 25.042 0.3 . 1 . . . . 185 LYS CG . 16183 1 813 . 1 1 67 67 LYS N N 15 121.468 0.3 . 1 . . . . 185 LYS N . 16183 1 814 . 1 1 68 68 GLN H H 1 8.336 0.020 . 1 . . . . 186 GLN H . 16183 1 815 . 1 1 68 68 GLN HA H 1 4.065 0.020 . 1 . . . . 186 GLN HA . 16183 1 816 . 1 1 68 68 GLN HB2 H 1 2.164 0.020 . 2 . . . . 186 GLN HB2 . 16183 1 817 . 1 1 68 68 GLN HB3 H 1 2.133 0.020 . 2 . . . . 186 GLN HB3 . 16183 1 818 . 1 1 68 68 GLN HE21 H 1 7.388 0.020 . 1 . . . . 186 GLN HE21 . 16183 1 819 . 1 1 68 68 GLN HE22 H 1 6.815 0.020 . 1 . . . . 186 GLN HE22 . 16183 1 820 . 1 1 68 68 GLN HG2 H 1 2.464 0.020 . 2 . . . . 186 GLN HG2 . 16183 1 821 . 1 1 68 68 GLN HG3 H 1 2.342 0.020 . 2 . . . . 186 GLN HG3 . 16183 1 822 . 1 1 68 68 GLN C C 13 175.382 0.3 . 1 . . . . 186 GLN C . 16183 1 823 . 1 1 68 68 GLN CA C 13 58.028 0.3 . 1 . . . . 186 GLN CA . 16183 1 824 . 1 1 68 68 GLN CB C 13 27.870 0.3 . 1 . . . . 186 GLN CB . 16183 1 825 . 1 1 68 68 GLN CG C 13 33.614 0.3 . 1 . . . . 186 GLN CG . 16183 1 826 . 1 1 68 68 GLN N N 15 117.891 0.3 . 1 . . . . 186 GLN N . 16183 1 827 . 1 1 68 68 GLN NE2 N 15 111.348 0.3 . 1 . . . . 186 GLN NE2 . 16183 1 828 . 1 1 69 69 HIS H H 1 8.016 0.020 . 1 . . . . 187 HIS H . 16183 1 829 . 1 1 69 69 HIS HA H 1 4.590 0.020 . 1 . . . . 187 HIS HA . 16183 1 830 . 1 1 69 69 HIS HB2 H 1 3.298 0.020 . 2 . . . . 187 HIS HB2 . 16183 1 831 . 1 1 69 69 HIS HB3 H 1 3.248 0.020 . 2 . . . . 187 HIS HB3 . 16183 1 832 . 1 1 69 69 HIS HD2 H 1 7.185 0.020 . 1 . . . . 187 HIS HD2 . 16183 1 833 . 1 1 69 69 HIS HE1 H 1 8.417 0.020 . 1 . . . . 187 HIS HE1 . 16183 1 834 . 1 1 69 69 HIS C C 13 173.742 0.3 . 1 . . . . 187 HIS C . 16183 1 835 . 1 1 69 69 HIS CA C 13 58.261 0.3 . 1 . . . . 187 HIS CA . 16183 1 836 . 1 1 69 69 HIS CB C 13 30.195 0.3 . 1 . . . . 187 HIS CB . 16183 1 837 . 1 1 69 69 HIS CD2 C 13 118.943 0.3 . 1 . . . . 187 HIS CD2 . 16183 1 838 . 1 1 69 69 HIS CE1 C 13 138.251 0.3 . 1 . . . . 187 HIS CE1 . 16183 1 839 . 1 1 69 69 HIS N N 15 116.591 0.3 . 1 . . . . 187 HIS N . 16183 1 840 . 1 1 70 70 THR H H 1 8.116 0.020 . 1 . . . . 188 THR H . 16183 1 841 . 1 1 70 70 THR HA H 1 4.337 0.020 . 1 . . . . 188 THR HA . 16183 1 842 . 1 1 70 70 THR HB H 1 4.410 0.020 . 1 . . . . 188 THR HB . 16183 1 843 . 1 1 70 70 THR HG21 H 1 1.104 0.020 . 1 . . . . 188 THR HG2 . 16183 1 844 . 1 1 70 70 THR HG22 H 1 1.104 0.020 . 1 . . . . 188 THR HG2 . 16183 1 845 . 1 1 70 70 THR HG23 H 1 1.104 0.020 . 1 . . . . 188 THR HG2 . 16183 1 846 . 1 1 70 70 THR C C 13 173.157 0.3 . 1 . . . . 188 THR C . 16183 1 847 . 1 1 70 70 THR CA C 13 63.522 0.3 . 1 . . . . 188 THR CA . 16183 1 848 . 1 1 70 70 THR CB C 13 69.469 0.3 . 1 . . . . 188 THR CB . 16183 1 849 . 1 1 70 70 THR CG2 C 13 21.621 0.3 . 1 . . . . 188 THR CG2 . 16183 1 850 . 1 1 70 70 THR N N 15 110.087 0.3 . 1 . . . . 188 THR N . 16183 1 851 . 1 1 71 71 THR H H 1 7.928 0.020 . 1 . . . . 189 THR H . 16183 1 852 . 1 1 71 71 THR HA H 1 4.406 0.020 . 1 . . . . 189 THR HA . 16183 1 853 . 1 1 71 71 THR HB H 1 4.338 0.020 . 1 . . . . 189 THR HB . 16183 1 854 . 1 1 71 71 THR HG21 H 1 1.283 0.020 . 1 . . . . 189 THR HG2 . 16183 1 855 . 1 1 71 71 THR HG22 H 1 1.283 0.020 . 1 . . . . 189 THR HG2 . 16183 1 856 . 1 1 71 71 THR HG23 H 1 1.283 0.020 . 1 . . . . 189 THR HG2 . 16183 1 857 . 1 1 71 71 THR C C 13 172.931 0.3 . 1 . . . . 189 THR C . 16183 1 858 . 1 1 71 71 THR CA C 13 63.685 0.3 . 1 . . . . 189 THR CA . 16183 1 859 . 1 1 71 71 THR CB C 13 69.667 0.3 . 1 . . . . 189 THR CB . 16183 1 860 . 1 1 71 71 THR CG2 C 13 21.386 0.3 . 1 . . . . 189 THR CG2 . 16183 1 861 . 1 1 71 71 THR N N 15 116.083 0.3 . 1 . . . . 189 THR N . 16183 1 862 . 1 1 72 72 THR H H 1 8.095 0.020 . 1 . . . . 190 THR H . 16183 1 863 . 1 1 72 72 THR HA H 1 4.407 0.020 . 1 . . . . 190 THR HA . 16183 1 864 . 1 1 72 72 THR HB H 1 4.314 0.020 . 1 . . . . 190 THR HB . 16183 1 865 . 1 1 72 72 THR HG21 H 1 1.270 0.020 . 1 . . . . 190 THR HG2 . 16183 1 866 . 1 1 72 72 THR HG22 H 1 1.270 0.020 . 1 . . . . 190 THR HG2 . 16183 1 867 . 1 1 72 72 THR HG23 H 1 1.270 0.020 . 1 . . . . 190 THR HG2 . 16183 1 868 . 1 1 72 72 THR C C 13 172.945 0.3 . 1 . . . . 190 THR C . 16183 1 869 . 1 1 72 72 THR CA C 13 63.000 0.3 . 1 . . . . 190 THR CA . 16183 1 870 . 1 1 72 72 THR CB C 13 69.537 0.3 . 1 . . . . 190 THR CB . 16183 1 871 . 1 1 72 72 THR CG2 C 13 21.508 0.3 . 1 . . . . 190 THR CG2 . 16183 1 872 . 1 1 72 72 THR N N 15 115.989 0.3 . 1 . . . . 190 THR N . 16183 1 873 . 1 1 73 73 THR H H 1 8.126 0.020 . 1 . . . . 191 THR H . 16183 1 874 . 1 1 73 73 THR HA H 1 4.334 0.020 . 1 . . . . 191 THR HA . 16183 1 875 . 1 1 73 73 THR HB H 1 4.253 0.020 . 1 . . . . 191 THR HB . 16183 1 876 . 1 1 73 73 THR HG21 H 1 1.132 0.020 . 1 . . . . 191 THR HG2 . 16183 1 877 . 1 1 73 73 THR HG22 H 1 1.132 0.020 . 1 . . . . 191 THR HG2 . 16183 1 878 . 1 1 73 73 THR HG23 H 1 1.132 0.020 . 1 . . . . 191 THR HG2 . 16183 1 879 . 1 1 73 73 THR C C 13 173.304 0.3 . 1 . . . . 191 THR C . 16183 1 880 . 1 1 73 73 THR CA C 13 63.066 0.3 . 1 . . . . 191 THR CA . 16183 1 881 . 1 1 73 73 THR CB C 13 69.321 0.3 . 1 . . . . 191 THR CB . 16183 1 882 . 1 1 73 73 THR CG2 C 13 21.576 0.3 . 1 . . . . 191 THR CG2 . 16183 1 883 . 1 1 73 73 THR N N 15 115.328 0.3 . 1 . . . . 191 THR N . 16183 1 884 . 1 1 74 74 THR H H 1 8.191 0.020 . 1 . . . . 192 THR H . 16183 1 885 . 1 1 74 74 THR HA H 1 4.431 0.020 . 1 . . . . 192 THR HA . 16183 1 886 . 1 1 74 74 THR HB H 1 4.376 0.020 . 1 . . . . 192 THR HB . 16183 1 887 . 1 1 74 74 THR HG21 H 1 1.264 0.020 . 1 . . . . 192 THR HG2 . 16183 1 888 . 1 1 74 74 THR HG22 H 1 1.264 0.020 . 1 . . . . 192 THR HG2 . 16183 1 889 . 1 1 74 74 THR HG23 H 1 1.264 0.020 . 1 . . . . 192 THR HG2 . 16183 1 890 . 1 1 74 74 THR C C 13 173.583 0.3 . 1 . . . . 192 THR C . 16183 1 891 . 1 1 74 74 THR CA C 13 63.093 0.3 . 1 . . . . 192 THR CA . 16183 1 892 . 1 1 74 74 THR CB C 13 69.476 0.3 . 1 . . . . 192 THR CB . 16183 1 893 . 1 1 74 74 THR CG2 C 13 21.597 0.3 . 1 . . . . 192 THR CG2 . 16183 1 894 . 1 1 74 74 THR N N 15 115.562 0.3 . 1 . . . . 192 THR N . 16183 1 895 . 1 1 75 75 THR H H 1 8.027 0.020 . 1 . . . . 193 THR H . 16183 1 896 . 1 1 75 75 THR HA H 1 4.301 0.020 . 1 . . . . 193 THR HA . 16183 1 897 . 1 1 75 75 THR HB H 1 4.279 0.020 . 1 . . . . 193 THR HB . 16183 1 898 . 1 1 75 75 THR HG21 H 1 1.245 0.020 . 1 . . . . 193 THR HG2 . 16183 1 899 . 1 1 75 75 THR HG22 H 1 1.245 0.020 . 1 . . . . 193 THR HG2 . 16183 1 900 . 1 1 75 75 THR HG23 H 1 1.245 0.020 . 1 . . . . 193 THR HG2 . 16183 1 901 . 1 1 75 75 THR C C 13 172.440 0.3 . 1 . . . . 193 THR C . 16183 1 902 . 1 1 75 75 THR CA C 13 62.994 0.3 . 1 . . . . 193 THR CA . 16183 1 903 . 1 1 75 75 THR CB C 13 69.400 0.3 . 1 . . . . 193 THR CB . 16183 1 904 . 1 1 75 75 THR CG2 C 13 21.690 0.3 . 1 . . . . 193 THR CG2 . 16183 1 905 . 1 1 75 75 THR N N 15 115.801 0.3 . 1 . . . . 193 THR N . 16183 1 906 . 1 1 76 76 LYS H H 1 8.083 0.020 . 1 . . . . 194 LYS H . 16183 1 907 . 1 1 76 76 LYS HA H 1 4.317 0.020 . 1 . . . . 194 LYS HA . 16183 1 908 . 1 1 76 76 LYS HB2 H 1 1.920 0.020 . 2 . . . . 194 LYS HB2 . 16183 1 909 . 1 1 76 76 LYS HB3 H 1 1.813 0.020 . 2 . . . . 194 LYS HB3 . 16183 1 910 . 1 1 76 76 LYS HD2 H 1 1.675 0.020 . 1 . . . . 194 LYS HD2 . 16183 1 911 . 1 1 76 76 LYS HD3 H 1 1.675 0.020 . 1 . . . . 194 LYS HD3 . 16183 1 912 . 1 1 76 76 LYS HE2 H 1 2.969 0.020 . 1 . . . . 194 LYS HE2 . 16183 1 913 . 1 1 76 76 LYS HE3 H 1 2.969 0.020 . 1 . . . . 194 LYS HE3 . 16183 1 914 . 1 1 76 76 LYS HG2 H 1 1.487 0.020 . 2 . . . . 194 LYS HG2 . 16183 1 915 . 1 1 76 76 LYS HG3 H 1 1.427 0.020 . 2 . . . . 194 LYS HG3 . 16183 1 916 . 1 1 76 76 LYS C C 13 174.527 0.3 . 1 . . . . 194 LYS C . 16183 1 917 . 1 1 76 76 LYS CA C 13 56.652 0.3 . 1 . . . . 194 LYS CA . 16183 1 918 . 1 1 76 76 LYS CB C 13 32.307 0.3 . 1 . . . . 194 LYS CB . 16183 1 919 . 1 1 76 76 LYS CD C 13 29.030 0.3 . 1 . . . . 194 LYS CD . 16183 1 920 . 1 1 76 76 LYS CE C 13 41.986 0.3 . 1 . . . . 194 LYS CE . 16183 1 921 . 1 1 76 76 LYS CG C 13 24.770 0.3 . 1 . . . . 194 LYS CG . 16183 1 922 . 1 1 76 76 LYS N N 15 122.160 0.3 . 1 . . . . 194 LYS N . 16183 1 923 . 1 1 77 77 GLY H H 1 8.275 0.020 . 1 . . . . 195 GLY H . 16183 1 924 . 1 1 77 77 GLY HA2 H 1 4.042 0.020 . 1 . . . . 195 GLY HA2 . 16183 1 925 . 1 1 77 77 GLY C C 13 171.656 0.3 . 1 . . . . 195 GLY C . 16183 1 926 . 1 1 77 77 GLY CA C 13 45.285 0.3 . 1 . . . . 195 GLY CA . 16183 1 927 . 1 1 77 77 GLY N N 15 109.570 0.3 . 1 . . . . 195 GLY N . 16183 1 928 . 1 1 78 78 GLU H H 1 7.885 0.020 . 1 . . . . 196 GLU H . 16183 1 929 . 1 1 78 78 GLU HA H 1 4.256 0.020 . 1 . . . . 196 GLU HA . 16183 1 930 . 1 1 78 78 GLU HB2 H 1 1.745 0.020 . 1 . . . . 196 GLU HB2 . 16183 1 931 . 1 1 78 78 GLU HB3 H 1 1.745 0.020 . 1 . . . . 196 GLU HB3 . 16183 1 932 . 1 1 78 78 GLU HG2 H 1 2.149 0.020 . 2 . . . . 196 GLU HG2 . 16183 1 933 . 1 1 78 78 GLU HG3 H 1 2.168 0.020 . 2 . . . . 196 GLU HG3 . 16183 1 934 . 1 1 78 78 GLU C C 13 172.865 0.3 . 1 . . . . 196 GLU C . 16183 1 935 . 1 1 78 78 GLU CA C 13 55.650 0.3 . 1 . . . . 196 GLU CA . 16183 1 936 . 1 1 78 78 GLU CB C 13 30.074 0.3 . 1 . . . . 196 GLU CB . 16183 1 937 . 1 1 78 78 GLU CG C 13 34.975 0.3 . 1 . . . . 196 GLU CG . 16183 1 938 . 1 1 78 78 GLU N N 15 120.112 0.3 . 1 . . . . 196 GLU N . 16183 1 939 . 1 1 79 79 ASN H H 1 8.450 0.020 . 1 . . . . 197 ASN H . 16183 1 940 . 1 1 79 79 ASN HA H 1 4.680 0.020 . 1 . . . . 197 ASN HA . 16183 1 941 . 1 1 79 79 ASN HB2 H 1 2.714 0.020 . 2 . . . . 197 ASN HB2 . 16183 1 942 . 1 1 79 79 ASN HB3 H 1 2.633 0.020 . 2 . . . . 197 ASN HB3 . 16183 1 943 . 1 1 79 79 ASN HD21 H 1 7.555 0.020 . 1 . . . . 197 ASN HD21 . 16183 1 944 . 1 1 79 79 ASN HD22 H 1 6.877 0.020 . 1 . . . . 197 ASN HD22 . 16183 1 945 . 1 1 79 79 ASN C C 13 171.855 0.3 . 1 . . . . 197 ASN C . 16183 1 946 . 1 1 79 79 ASN CA C 13 52.837 0.3 . 1 . . . . 197 ASN CA . 16183 1 947 . 1 1 79 79 ASN CB C 13 39.659 0.3 . 1 . . . . 197 ASN CB . 16183 1 948 . 1 1 79 79 ASN N N 15 119.944 0.3 . 1 . . . . 197 ASN N . 16183 1 949 . 1 1 79 79 ASN ND2 N 15 113.131 0.3 . 1 . . . . 197 ASN ND2 . 16183 1 950 . 1 1 80 80 PHE H H 1 8.581 0.020 . 1 . . . . 198 PHE H . 16183 1 951 . 1 1 80 80 PHE HA H 1 5.142 0.020 . 1 . . . . 198 PHE HA . 16183 1 952 . 1 1 80 80 PHE HB2 H 1 2.997 0.020 . 2 . . . . 198 PHE HB2 . 16183 1 953 . 1 1 80 80 PHE HB3 H 1 3.156 0.020 . 2 . . . . 198 PHE HB3 . 16183 1 954 . 1 1 80 80 PHE HD1 H 1 7.366 0.020 . 1 . . . . 198 PHE HD1 . 16183 1 955 . 1 1 80 80 PHE HD2 H 1 7.366 0.020 . 1 . . . . 198 PHE HD2 . 16183 1 956 . 1 1 80 80 PHE HE1 H 1 7.342 0.020 . 1 . . . . 198 PHE HE1 . 16183 1 957 . 1 1 80 80 PHE HE2 H 1 7.342 0.020 . 1 . . . . 198 PHE HE2 . 16183 1 958 . 1 1 80 80 PHE HZ H 1 7.430 0.020 . 1 . . . . 198 PHE HZ . 16183 1 959 . 1 1 80 80 PHE C C 13 174.141 0.3 . 1 . . . . 198 PHE C . 16183 1 960 . 1 1 80 80 PHE CA C 13 57.121 0.3 . 1 . . . . 198 PHE CA . 16183 1 961 . 1 1 80 80 PHE CB C 13 39.966 0.3 . 1 . . . . 198 PHE CB . 16183 1 962 . 1 1 80 80 PHE CD1 C 13 131.541 0.3 . 1 . . . . 198 PHE CD1 . 16183 1 963 . 1 1 80 80 PHE CE1 C 13 131.452 0.3 . 1 . . . . 198 PHE CE1 . 16183 1 964 . 1 1 80 80 PHE CZ C 13 129.909 0.3 . 1 . . . . 198 PHE CZ . 16183 1 965 . 1 1 80 80 PHE N N 15 121.272 0.3 . 1 . . . . 198 PHE N . 16183 1 966 . 1 1 81 81 THR H H 1 9.589 0.020 . 1 . . . . 199 THR H . 16183 1 967 . 1 1 81 81 THR HA H 1 4.618 0.020 . 1 . . . . 199 THR HA . 16183 1 968 . 1 1 81 81 THR HB H 1 4.831 0.020 . 1 . . . . 199 THR HB . 16183 1 969 . 1 1 81 81 THR HG21 H 1 1.424 0.020 . 1 . . . . 199 THR HG2 . 16183 1 970 . 1 1 81 81 THR HG22 H 1 1.424 0.020 . 1 . . . . 199 THR HG2 . 16183 1 971 . 1 1 81 81 THR HG23 H 1 1.424 0.020 . 1 . . . . 199 THR HG2 . 16183 1 972 . 1 1 81 81 THR C C 13 172.918 0.3 . 1 . . . . 199 THR C . 16183 1 973 . 1 1 81 81 THR CA C 13 60.423 0.3 . 1 . . . . 199 THR CA . 16183 1 974 . 1 1 81 81 THR CB C 13 71.867 0.3 . 1 . . . . 199 THR CB . 16183 1 975 . 1 1 81 81 THR CG2 C 13 21.643 0.3 . 1 . . . . 199 THR CG2 . 16183 1 976 . 1 1 81 81 THR N N 15 115.992 0.3 . 1 . . . . 199 THR N . 16183 1 977 . 1 1 82 82 GLU H H 1 9.099 0.020 . 1 . . . . 200 GLU H . 16183 1 978 . 1 1 82 82 GLU HA H 1 4.082 0.020 . 1 . . . . 200 GLU HA . 16183 1 979 . 1 1 82 82 GLU HB2 H 1 2.140 0.020 . 2 . . . . 200 GLU HB2 . 16183 1 980 . 1 1 82 82 GLU HB3 H 1 2.073 0.020 . 2 . . . . 200 GLU HB3 . 16183 1 981 . 1 1 82 82 GLU HG2 H 1 2.441 0.020 . 2 . . . . 200 GLU HG2 . 16183 1 982 . 1 1 82 82 GLU HG3 H 1 2.382 0.020 . 2 . . . . 200 GLU HG3 . 16183 1 983 . 1 1 82 82 GLU C C 13 176.441 0.3 . 1 . . . . 200 GLU C . 16183 1 984 . 1 1 82 82 GLU CA C 13 59.658 0.3 . 1 . . . . 200 GLU CA . 16183 1 985 . 1 1 82 82 GLU CB C 13 28.610 0.3 . 1 . . . . 200 GLU CB . 16183 1 986 . 1 1 82 82 GLU CG C 13 35.311 0.3 . 1 . . . . 200 GLU CG . 16183 1 987 . 1 1 82 82 GLU N N 15 119.824 0.3 . 1 . . . . 200 GLU N . 16183 1 988 . 1 1 83 83 THR H H 1 7.981 0.020 . 1 . . . . 201 THR H . 16183 1 989 . 1 1 83 83 THR HA H 1 3.780 0.020 . 1 . . . . 201 THR HA . 16183 1 990 . 1 1 83 83 THR HB H 1 3.739 0.020 . 1 . . . . 201 THR HB . 16183 1 991 . 1 1 83 83 THR HG21 H 1 0.639 0.020 . 1 . . . . 201 THR HG2 . 16183 1 992 . 1 1 83 83 THR HG22 H 1 0.639 0.020 . 1 . . . . 201 THR HG2 . 16183 1 993 . 1 1 83 83 THR HG23 H 1 0.639 0.020 . 1 . . . . 201 THR HG2 . 16183 1 994 . 1 1 83 83 THR C C 13 172.839 0.3 . 1 . . . . 201 THR C . 16183 1 995 . 1 1 83 83 THR CA C 13 66.727 0.3 . 1 . . . . 201 THR CA . 16183 1 996 . 1 1 83 83 THR CB C 13 68.597 0.3 . 1 . . . . 201 THR CB . 16183 1 997 . 1 1 83 83 THR CG2 C 13 20.904 0.3 . 1 . . . . 201 THR CG2 . 16183 1 998 . 1 1 83 83 THR N N 15 116.294 0.3 . 1 . . . . 201 THR N . 16183 1 999 . 1 1 84 84 ASP H H 1 7.557 0.020 . 1 . . . . 202 ASP H . 16183 1 1000 . 1 1 84 84 ASP HA H 1 4.538 0.020 . 1 . . . . 202 ASP HA . 16183 1 1001 . 1 1 84 84 ASP HB2 H 1 3.374 0.020 . 2 . . . . 202 ASP HB2 . 16183 1 1002 . 1 1 84 84 ASP HB3 H 1 2.599 0.020 . 2 . . . . 202 ASP HB3 . 16183 1 1003 . 1 1 84 84 ASP C C 13 175.324 0.3 . 1 . . . . 202 ASP C . 16183 1 1004 . 1 1 84 84 ASP CA C 13 58.028 0.3 . 1 . . . . 202 ASP CA . 16183 1 1005 . 1 1 84 84 ASP CB C 13 41.838 0.3 . 1 . . . . 202 ASP CB . 16183 1 1006 . 1 1 84 84 ASP N N 15 119.423 0.3 . 1 . . . . 202 ASP N . 16183 1 1007 . 1 1 85 85 ILE H H 1 8.134 0.020 . 1 . . . . 203 ILE H . 16183 1 1008 . 1 1 85 85 ILE HA H 1 3.456 0.020 . 1 . . . . 203 ILE HA . 16183 1 1009 . 1 1 85 85 ILE HB H 1 1.959 0.020 . 1 . . . . 203 ILE HB . 16183 1 1010 . 1 1 85 85 ILE HD11 H 1 0.753 0.020 . 1 . . . . 203 ILE HD1 . 16183 1 1011 . 1 1 85 85 ILE HD12 H 1 0.753 0.020 . 1 . . . . 203 ILE HD1 . 16183 1 1012 . 1 1 85 85 ILE HD13 H 1 0.753 0.020 . 1 . . . . 203 ILE HD1 . 16183 1 1013 . 1 1 85 85 ILE HG12 H 1 1.251 0.020 . 1 . . . . 203 ILE HG12 . 16183 1 1014 . 1 1 85 85 ILE HG13 H 1 1.251 0.020 . 1 . . . . 203 ILE HG13 . 16183 1 1015 . 1 1 85 85 ILE HG21 H 1 0.844 0.020 . 1 . . . . 203 ILE HG2 . 16183 1 1016 . 1 1 85 85 ILE HG22 H 1 0.844 0.020 . 1 . . . . 203 ILE HG2 . 16183 1 1017 . 1 1 85 85 ILE HG23 H 1 0.844 0.020 . 1 . . . . 203 ILE HG2 . 16183 1 1018 . 1 1 85 85 ILE C C 13 174.912 0.3 . 1 . . . . 203 ILE C . 16183 1 1019 . 1 1 85 85 ILE CA C 13 64.623 0.3 . 1 . . . . 203 ILE CA . 16183 1 1020 . 1 1 85 85 ILE CB C 13 36.943 0.3 . 1 . . . . 203 ILE CB . 16183 1 1021 . 1 1 85 85 ILE CD1 C 13 11.470 0.3 . 1 . . . . 203 ILE CD1 . 16183 1 1022 . 1 1 85 85 ILE CG1 C 13 28.689 0.3 . 1 . . . . 203 ILE CG1 . 16183 1 1023 . 1 1 85 85 ILE CG2 C 13 17.061 0.3 . 1 . . . . 203 ILE CG2 . 16183 1 1024 . 1 1 85 85 ILE N N 15 119.025 0.3 . 1 . . . . 203 ILE N . 16183 1 1025 . 1 1 86 86 LYS H H 1 7.859 0.020 . 1 . . . . 204 LYS H . 16183 1 1026 . 1 1 86 86 LYS HA H 1 4.034 0.020 . 1 . . . . 204 LYS HA . 16183 1 1027 . 1 1 86 86 LYS HB2 H 1 1.934 0.020 . 1 . . . . 204 LYS HB2 . 16183 1 1028 . 1 1 86 86 LYS HB3 H 1 1.934 0.020 . 1 . . . . 204 LYS HB3 . 16183 1 1029 . 1 1 86 86 LYS HD2 H 1 1.832 0.020 . 1 . . . . 204 LYS HD2 . 16183 1 1030 . 1 1 86 86 LYS HD3 H 1 1.832 0.020 . 1 . . . . 204 LYS HD3 . 16183 1 1031 . 1 1 86 86 LYS HE2 H 1 2.916 0.020 . 1 . . . . 204 LYS HE2 . 16183 1 1032 . 1 1 86 86 LYS HE3 H 1 2.916 0.020 . 1 . . . . 204 LYS HE3 . 16183 1 1033 . 1 1 86 86 LYS HG2 H 1 1.585 0.020 . 2 . . . . 204 LYS HG2 . 16183 1 1034 . 1 1 86 86 LYS HG3 H 1 1.402 0.020 . 2 . . . . 204 LYS HG3 . 16183 1 1035 . 1 1 86 86 LYS C C 13 177.717 0.3 . 1 . . . . 204 LYS C . 16183 1 1036 . 1 1 86 86 LYS CA C 13 59.375 0.3 . 1 . . . . 204 LYS CA . 16183 1 1037 . 1 1 86 86 LYS CB C 13 32.247 0.3 . 1 . . . . 204 LYS CB . 16183 1 1038 . 1 1 86 86 LYS CD C 13 32.182 0.3 . 1 . . . . 204 LYS CD . 16183 1 1039 . 1 1 86 86 LYS CE C 13 41.945 0.3 . 1 . . . . 204 LYS CE . 16183 1 1040 . 1 1 86 86 LYS CG C 13 25.044 0.3 . 1 . . . . 204 LYS CG . 16183 1 1041 . 1 1 86 86 LYS N N 15 119.556 0.3 . 1 . . . . 204 LYS N . 16183 1 1042 . 1 1 87 87 ILE H H 1 7.995 0.020 . 1 . . . . 205 ILE H . 16183 1 1043 . 1 1 87 87 ILE HA H 1 3.570 0.020 . 1 . . . . 205 ILE HA . 16183 1 1044 . 1 1 87 87 ILE HB H 1 1.955 0.020 . 1 . . . . 205 ILE HB . 16183 1 1045 . 1 1 87 87 ILE HD11 H 1 0.618 0.020 . 1 . . . . 205 ILE HD1 . 16183 1 1046 . 1 1 87 87 ILE HD12 H 1 0.618 0.020 . 1 . . . . 205 ILE HD1 . 16183 1 1047 . 1 1 87 87 ILE HD13 H 1 0.618 0.020 . 1 . . . . 205 ILE HD1 . 16183 1 1048 . 1 1 87 87 ILE HG12 H 1 0.710 0.020 . 1 . . . . 205 ILE HG12 . 16183 1 1049 . 1 1 87 87 ILE HG13 H 1 0.710 0.020 . 1 . . . . 205 ILE HG13 . 16183 1 1050 . 1 1 87 87 ILE HG21 H 1 0.825 0.020 . 1 . . . . 205 ILE HG2 . 16183 1 1051 . 1 1 87 87 ILE HG22 H 1 0.825 0.020 . 1 . . . . 205 ILE HG2 . 16183 1 1052 . 1 1 87 87 ILE HG23 H 1 0.825 0.020 . 1 . . . . 205 ILE HG2 . 16183 1 1053 . 1 1 87 87 ILE C C 13 175.337 0.3 . 1 . . . . 205 ILE C . 16183 1 1054 . 1 1 87 87 ILE CA C 13 64.865 0.3 . 1 . . . . 205 ILE CA . 16183 1 1055 . 1 1 87 87 ILE CB C 13 37.523 0.3 . 1 . . . . 205 ILE CB . 16183 1 1056 . 1 1 87 87 ILE CD1 C 13 13.494 0.3 . 1 . . . . 205 ILE CD1 . 16183 1 1057 . 1 1 87 87 ILE CG1 C 13 28.561 0.3 . 1 . . . . 205 ILE CG1 . 16183 1 1058 . 1 1 87 87 ILE CG2 C 13 18.330 0.3 . 1 . . . . 205 ILE CG2 . 16183 1 1059 . 1 1 87 87 ILE N N 15 119.420 0.3 . 1 . . . . 205 ILE N . 16183 1 1060 . 1 1 88 88 MET H H 1 8.888 0.020 . 1 . . . . 206 MET H . 16183 1 1061 . 1 1 88 88 MET HA H 1 3.495 0.020 . 1 . . . . 206 MET HA . 16183 1 1062 . 1 1 88 88 MET HB2 H 1 1.995 0.020 . 2 . . . . 206 MET HB2 . 16183 1 1063 . 1 1 88 88 MET HB3 H 1 1.865 0.020 . 2 . . . . 206 MET HB3 . 16183 1 1064 . 1 1 88 88 MET HE1 H 1 1.510 0.020 . 1 . . . . 206 MET HE . 16183 1 1065 . 1 1 88 88 MET HE2 H 1 1.510 0.020 . 1 . . . . 206 MET HE . 16183 1 1066 . 1 1 88 88 MET HE3 H 1 1.510 0.020 . 1 . . . . 206 MET HE . 16183 1 1067 . 1 1 88 88 MET HG2 H 1 2.016 0.020 . 2 . . . . 206 MET HG2 . 16183 1 1068 . 1 1 88 88 MET HG3 H 1 2.008 0.020 . 2 . . . . 206 MET HG3 . 16183 1 1069 . 1 1 88 88 MET C C 13 175.484 0.3 . 1 . . . . 206 MET C . 16183 1 1070 . 1 1 88 88 MET CA C 13 59.961 0.3 . 1 . . . . 206 MET CA . 16183 1 1071 . 1 1 88 88 MET CB C 13 33.418 0.3 . 1 . . . . 206 MET CB . 16183 1 1072 . 1 1 88 88 MET CE C 13 16.081 0.3 . 1 . . . . 206 MET CE . 16183 1 1073 . 1 1 88 88 MET CG C 13 31.810 0.3 . 1 . . . . 206 MET CG . 16183 1 1074 . 1 1 88 88 MET N N 15 119.371 0.3 . 1 . . . . 206 MET N . 16183 1 1075 . 1 1 89 89 GLU H H 1 8.603 0.020 . 1 . . . . 207 GLU H . 16183 1 1076 . 1 1 89 89 GLU HA H 1 3.652 0.020 . 1 . . . . 207 GLU HA . 16183 1 1077 . 1 1 89 89 GLU HB2 H 1 2.222 0.020 . 2 . . . . 207 GLU HB2 . 16183 1 1078 . 1 1 89 89 GLU HB3 H 1 2.025 0.020 . 2 . . . . 207 GLU HB3 . 16183 1 1079 . 1 1 89 89 GLU HG2 H 1 2.627 0.020 . 2 . . . . 207 GLU HG2 . 16183 1 1080 . 1 1 89 89 GLU HG3 H 1 2.264 0.020 . 2 . . . . 207 GLU HG3 . 16183 1 1081 . 1 1 89 89 GLU C C 13 175.922 0.3 . 1 . . . . 207 GLU C . 16183 1 1082 . 1 1 89 89 GLU CA C 13 60.338 0.3 . 1 . . . . 207 GLU CA . 16183 1 1083 . 1 1 89 89 GLU CB C 13 28.304 0.3 . 1 . . . . 207 GLU CB . 16183 1 1084 . 1 1 89 89 GLU CG C 13 35.159 0.3 . 1 . . . . 207 GLU CG . 16183 1 1085 . 1 1 89 89 GLU N N 15 116.915 0.3 . 1 . . . . 207 GLU N . 16183 1 1086 . 1 1 90 90 ARG H H 1 7.245 0.020 . 1 . . . . 208 ARG H . 16183 1 1087 . 1 1 90 90 ARG HA H 1 4.170 0.020 . 1 . . . . 208 ARG HA . 16183 1 1088 . 1 1 90 90 ARG HB2 H 1 2.102 0.020 . 2 . . . . 208 ARG HB2 . 16183 1 1089 . 1 1 90 90 ARG HB3 H 1 2.081 0.020 . 2 . . . . 208 ARG HB3 . 16183 1 1090 . 1 1 90 90 ARG HD2 H 1 3.246 0.020 . 2 . . . . 208 ARG HD2 . 16183 1 1091 . 1 1 90 90 ARG HD3 H 1 3.234 0.020 . 2 . . . . 208 ARG HD3 . 16183 1 1092 . 1 1 90 90 ARG HE H 1 7.229 0.020 . 1 . . . . 208 ARG HE . 16183 1 1093 . 1 1 90 90 ARG HG2 H 1 1.897 0.020 . 2 . . . . 208 ARG HG2 . 16183 1 1094 . 1 1 90 90 ARG HG3 H 1 1.817 0.020 . 2 . . . . 208 ARG HG3 . 16183 1 1095 . 1 1 90 90 ARG C C 13 176.876 0.3 . 1 . . . . 208 ARG C . 16183 1 1096 . 1 1 90 90 ARG CA C 13 58.510 0.3 . 1 . . . . 208 ARG CA . 16183 1 1097 . 1 1 90 90 ARG CB C 13 30.217 0.3 . 1 . . . . 208 ARG CB . 16183 1 1098 . 1 1 90 90 ARG CD C 13 42.894 0.3 . 1 . . . . 208 ARG CD . 16183 1 1099 . 1 1 90 90 ARG CG C 13 26.970 0.3 . 1 . . . . 208 ARG CG . 16183 1 1100 . 1 1 90 90 ARG N N 15 117.654 0.3 . 1 . . . . 208 ARG N . 16183 1 1101 . 1 1 90 90 ARG NE N 15 83.709 0.3 . 1 . . . . 208 ARG NE . 16183 1 1102 . 1 1 91 91 VAL H H 1 8.398 0.020 . 1 . . . . 209 VAL H . 16183 1 1103 . 1 1 91 91 VAL HA H 1 3.740 0.020 . 1 . . . . 209 VAL HA . 16183 1 1104 . 1 1 91 91 VAL HB H 1 2.083 0.020 . 1 . . . . 209 VAL HB . 16183 1 1105 . 1 1 91 91 VAL HG11 H 1 1.044 0.020 . 2 . . . . 209 VAL HG1 . 16183 1 1106 . 1 1 91 91 VAL HG12 H 1 1.044 0.020 . 2 . . . . 209 VAL HG1 . 16183 1 1107 . 1 1 91 91 VAL HG13 H 1 1.044 0.020 . 2 . . . . 209 VAL HG1 . 16183 1 1108 . 1 1 91 91 VAL HG21 H 1 1.115 0.020 . 2 . . . . 209 VAL HG2 . 16183 1 1109 . 1 1 91 91 VAL HG22 H 1 1.115 0.020 . 2 . . . . 209 VAL HG2 . 16183 1 1110 . 1 1 91 91 VAL HG23 H 1 1.115 0.020 . 2 . . . . 209 VAL HG2 . 16183 1 1111 . 1 1 91 91 VAL C C 13 175.396 0.3 . 1 . . . . 209 VAL C . 16183 1 1112 . 1 1 91 91 VAL CA C 13 65.815 0.3 . 1 . . . . 209 VAL CA . 16183 1 1113 . 1 1 91 91 VAL CB C 13 32.590 0.3 . 1 . . . . 209 VAL CB . 16183 1 1114 . 1 1 91 91 VAL CG1 C 13 23.532 0.3 . 1 . . . . 209 VAL CG1 . 16183 1 1115 . 1 1 91 91 VAL CG2 C 13 21.112 0.3 . 1 . . . . 209 VAL CG2 . 16183 1 1116 . 1 1 91 91 VAL N N 15 121.572 0.3 . 1 . . . . 209 VAL N . 16183 1 1117 . 1 1 92 92 VAL H H 1 9.087 0.020 . 1 . . . . 210 VAL H . 16183 1 1118 . 1 1 92 92 VAL HA H 1 3.665 0.020 . 1 . . . . 210 VAL HA . 16183 1 1119 . 1 1 92 92 VAL HB H 1 2.183 0.020 . 1 . . . . 210 VAL HB . 16183 1 1120 . 1 1 92 92 VAL HG11 H 1 1.185 0.020 . 2 . . . . 210 VAL HG1 . 16183 1 1121 . 1 1 92 92 VAL HG12 H 1 1.185 0.020 . 2 . . . . 210 VAL HG1 . 16183 1 1122 . 1 1 92 92 VAL HG13 H 1 1.185 0.020 . 2 . . . . 210 VAL HG1 . 16183 1 1123 . 1 1 92 92 VAL HG21 H 1 0.938 0.020 . 2 . . . . 210 VAL HG2 . 16183 1 1124 . 1 1 92 92 VAL HG22 H 1 0.938 0.020 . 2 . . . . 210 VAL HG2 . 16183 1 1125 . 1 1 92 92 VAL HG23 H 1 0.938 0.020 . 2 . . . . 210 VAL HG2 . 16183 1 1126 . 1 1 92 92 VAL C C 13 175.058 0.3 . 1 . . . . 210 VAL C . 16183 1 1127 . 1 1 92 92 VAL CA C 13 65.988 0.3 . 1 . . . . 210 VAL CA . 16183 1 1128 . 1 1 92 92 VAL CB C 13 30.988 0.3 . 1 . . . . 210 VAL CB . 16183 1 1129 . 1 1 92 92 VAL CG1 C 13 24.618 0.3 . 1 . . . . 210 VAL CG1 . 16183 1 1130 . 1 1 92 92 VAL CG2 C 13 24.166 0.3 . 1 . . . . 210 VAL CG2 . 16183 1 1131 . 1 1 92 92 VAL N N 15 119.802 0.3 . 1 . . . . 210 VAL N . 16183 1 1132 . 1 1 93 93 GLU H H 1 8.025 0.020 . 1 . . . . 211 GLU H . 16183 1 1133 . 1 1 93 93 GLU HA H 1 3.550 0.020 . 1 . . . . 211 GLU HA . 16183 1 1134 . 1 1 93 93 GLU HB2 H 1 2.200 0.020 . 2 . . . . 211 GLU HB2 . 16183 1 1135 . 1 1 93 93 GLU HB3 H 1 2.174 0.020 . 2 . . . . 211 GLU HB3 . 16183 1 1136 . 1 1 93 93 GLU HG2 H 1 2.095 0.020 . 2 . . . . 211 GLU HG2 . 16183 1 1137 . 1 1 93 93 GLU HG3 H 1 2.080 0.020 . 2 . . . . 211 GLU HG3 . 16183 1 1138 . 1 1 93 93 GLU C C 13 174.979 0.3 . 1 . . . . 211 GLU C . 16183 1 1139 . 1 1 93 93 GLU CA C 13 60.890 0.3 . 1 . . . . 211 GLU CA . 16183 1 1140 . 1 1 93 93 GLU CB C 13 28.808 0.3 . 1 . . . . 211 GLU CB . 16183 1 1141 . 1 1 93 93 GLU CG C 13 35.501 0.3 . 1 . . . . 211 GLU CG . 16183 1 1142 . 1 1 93 93 GLU N N 15 121.311 0.3 . 1 . . . . 211 GLU N . 16183 1 1143 . 1 1 94 94 GLN H H 1 7.152 0.020 . 1 . . . . 212 GLN H . 16183 1 1144 . 1 1 94 94 GLN HA H 1 3.973 0.020 . 1 . . . . 212 GLN HA . 16183 1 1145 . 1 1 94 94 GLN HB2 H 1 2.228 0.020 . 2 . . . . 212 GLN HB2 . 16183 1 1146 . 1 1 94 94 GLN HB3 H 1 2.151 0.020 . 2 . . . . 212 GLN HB3 . 16183 1 1147 . 1 1 94 94 GLN HE21 H 1 7.593 0.020 . 1 . . . . 212 GLN HE21 . 16183 1 1148 . 1 1 94 94 GLN HE22 H 1 6.931 0.020 . 1 . . . . 212 GLN HE22 . 16183 1 1149 . 1 1 94 94 GLN HG2 H 1 2.459 0.020 . 2 . . . . 212 GLN HG2 . 16183 1 1150 . 1 1 94 94 GLN HG3 H 1 2.443 0.020 . 2 . . . . 212 GLN HG3 . 16183 1 1151 . 1 1 94 94 GLN C C 13 176.427 0.3 . 1 . . . . 212 GLN C . 16183 1 1152 . 1 1 94 94 GLN CA C 13 58.551 0.3 . 1 . . . . 212 GLN CA . 16183 1 1153 . 1 1 94 94 GLN CB C 13 27.784 0.3 . 1 . . . . 212 GLN CB . 16183 1 1154 . 1 1 94 94 GLN CG C 13 33.542 0.3 . 1 . . . . 212 GLN CG . 16183 1 1155 . 1 1 94 94 GLN N N 15 115.376 0.3 . 1 . . . . 212 GLN N . 16183 1 1156 . 1 1 94 94 GLN NE2 N 15 114.223 0.3 . 1 . . . . 212 GLN NE2 . 16183 1 1157 . 1 1 95 95 MET H H 1 8.024 0.020 . 1 . . . . 213 MET H . 16183 1 1158 . 1 1 95 95 MET HA H 1 4.115 0.020 . 1 . . . . 213 MET HA . 16183 1 1159 . 1 1 95 95 MET HB2 H 1 2.260 0.020 . 2 . . . . 213 MET HB2 . 16183 1 1160 . 1 1 95 95 MET HB3 H 1 2.154 0.020 . 2 . . . . 213 MET HB3 . 16183 1 1161 . 1 1 95 95 MET HE1 H 1 1.907 0.020 . 1 . . . . 213 MET HE . 16183 1 1162 . 1 1 95 95 MET HE2 H 1 1.907 0.020 . 1 . . . . 213 MET HE . 16183 1 1163 . 1 1 95 95 MET HE3 H 1 1.907 0.020 . 1 . . . . 213 MET HE . 16183 1 1164 . 1 1 95 95 MET HG2 H 1 2.153 0.020 . 2 . . . . 213 MET HG2 . 16183 1 1165 . 1 1 95 95 MET HG3 H 1 2.138 0.020 . 2 . . . . 213 MET HG3 . 16183 1 1166 . 1 1 95 95 MET C C 13 175.997 0.3 . 1 . . . . 213 MET C . 16183 1 1167 . 1 1 95 95 MET CA C 13 59.660 0.3 . 1 . . . . 213 MET CA . 16183 1 1168 . 1 1 95 95 MET CB C 13 34.801 0.3 . 1 . . . . 213 MET CB . 16183 1 1169 . 1 1 95 95 MET CE C 13 16.322 0.3 . 1 . . . . 213 MET CE . 16183 1 1170 . 1 1 95 95 MET CG C 13 28.743 0.3 . 1 . . . . 213 MET CG . 16183 1 1171 . 1 1 95 95 MET N N 15 119.252 0.3 . 1 . . . . 213 MET N . 16183 1 1172 . 1 1 96 96 CYS H H 1 9.284 0.020 . 1 . . . . 214 CYS H . 16183 1 1173 . 1 1 96 96 CYS HA H 1 4.360 0.020 . 1 . . . . 214 CYS HA . 16183 1 1174 . 1 1 96 96 CYS HB2 H 1 3.546 0.020 . 2 . . . . 214 CYS HB2 . 16183 1 1175 . 1 1 96 96 CYS HB3 H 1 2.827 0.020 . 2 . . . . 214 CYS HB3 . 16183 1 1176 . 1 1 96 96 CYS C C 13 174.261 0.3 . 1 . . . . 214 CYS C . 16183 1 1177 . 1 1 96 96 CYS CA C 13 60.204 0.3 . 1 . . . . 214 CYS CA . 16183 1 1178 . 1 1 96 96 CYS CB C 13 42.284 0.3 . 1 . . . . 214 CYS CB . 16183 1 1179 . 1 1 96 96 CYS N N 15 119.247 0.3 . 1 . . . . 214 CYS N . 16183 1 1180 . 1 1 97 97 ILE H H 1 8.339 0.020 . 1 . . . . 215 ILE H . 16183 1 1181 . 1 1 97 97 ILE HA H 1 3.489 0.020 . 1 . . . . 215 ILE HA . 16183 1 1182 . 1 1 97 97 ILE HB H 1 1.972 0.020 . 1 . . . . 215 ILE HB . 16183 1 1183 . 1 1 97 97 ILE HD11 H 1 0.828 0.020 . 1 . . . . 215 ILE HD1 . 16183 1 1184 . 1 1 97 97 ILE HD12 H 1 0.828 0.020 . 1 . . . . 215 ILE HD1 . 16183 1 1185 . 1 1 97 97 ILE HD13 H 1 0.828 0.020 . 1 . . . . 215 ILE HD1 . 16183 1 1186 . 1 1 97 97 ILE HG12 H 1 0.835 0.020 . 1 . . . . 215 ILE HG12 . 16183 1 1187 . 1 1 97 97 ILE HG13 H 1 0.835 0.020 . 1 . . . . 215 ILE HG13 . 16183 1 1188 . 1 1 97 97 ILE HG21 H 1 0.857 0.020 . 1 . . . . 215 ILE HG2 . 16183 1 1189 . 1 1 97 97 ILE HG22 H 1 0.857 0.020 . 1 . . . . 215 ILE HG2 . 16183 1 1190 . 1 1 97 97 ILE HG23 H 1 0.857 0.020 . 1 . . . . 215 ILE HG2 . 16183 1 1191 . 1 1 97 97 ILE C C 13 175.404 0.3 . 1 . . . . 215 ILE C . 16183 1 1192 . 1 1 97 97 ILE CA C 13 66.721 0.3 . 1 . . . . 215 ILE CA . 16183 1 1193 . 1 1 97 97 ILE CB C 13 38.243 0.3 . 1 . . . . 215 ILE CB . 16183 1 1194 . 1 1 97 97 ILE CD1 C 13 14.009 0.3 . 1 . . . . 215 ILE CD1 . 16183 1 1195 . 1 1 97 97 ILE CG1 C 13 30.850 0.3 . 1 . . . . 215 ILE CG1 . 16183 1 1196 . 1 1 97 97 ILE CG2 C 13 16.915 0.3 . 1 . . . . 215 ILE CG2 . 16183 1 1197 . 1 1 97 97 ILE N N 15 123.772 0.3 . 1 . . . . 215 ILE N . 16183 1 1198 . 1 1 98 98 THR H H 1 8.063 0.020 . 1 . . . . 216 THR H . 16183 1 1199 . 1 1 98 98 THR HA H 1 3.862 0.020 . 1 . . . . 216 THR HA . 16183 1 1200 . 1 1 98 98 THR HB H 1 4.285 0.020 . 1 . . . . 216 THR HB . 16183 1 1201 . 1 1 98 98 THR HG21 H 1 1.260 0.020 . 1 . . . . 216 THR HG2 . 16183 1 1202 . 1 1 98 98 THR HG22 H 1 1.260 0.020 . 1 . . . . 216 THR HG2 . 16183 1 1203 . 1 1 98 98 THR HG23 H 1 1.260 0.020 . 1 . . . . 216 THR HG2 . 16183 1 1204 . 1 1 98 98 THR C C 13 173.596 0.3 . 1 . . . . 216 THR C . 16183 1 1205 . 1 1 98 98 THR CA C 13 66.981 0.3 . 1 . . . . 216 THR CA . 16183 1 1206 . 1 1 98 98 THR CB C 13 68.418 0.3 . 1 . . . . 216 THR CB . 16183 1 1207 . 1 1 98 98 THR CG2 C 13 22.086 0.3 . 1 . . . . 216 THR CG2 . 16183 1 1208 . 1 1 98 98 THR N N 15 118.233 0.3 . 1 . . . . 216 THR N . 16183 1 1209 . 1 1 99 99 GLN H H 1 8.719 0.020 . 1 . . . . 217 GLN H . 16183 1 1210 . 1 1 99 99 GLN HA H 1 3.759 0.020 . 1 . . . . 217 GLN HA . 16183 1 1211 . 1 1 99 99 GLN HB2 H 1 2.314 0.020 . 2 . . . . 217 GLN HB2 . 16183 1 1212 . 1 1 99 99 GLN HB3 H 1 2.070 0.020 . 2 . . . . 217 GLN HB3 . 16183 1 1213 . 1 1 99 99 GLN HE21 H 1 7.382 0.020 . 1 . . . . 217 GLN HE21 . 16183 1 1214 . 1 1 99 99 GLN HE22 H 1 6.647 0.020 . 1 . . . . 217 GLN HE22 . 16183 1 1215 . 1 1 99 99 GLN HG2 H 1 1.756 0.020 . 2 . . . . 217 GLN HG2 . 16183 1 1216 . 1 1 99 99 GLN HG3 H 1 1.670 0.020 . 2 . . . . 217 GLN HG3 . 16183 1 1217 . 1 1 99 99 GLN C C 13 175.208 0.3 . 1 . . . . 217 GLN C . 16183 1 1218 . 1 1 99 99 GLN CA C 13 58.636 0.3 . 1 . . . . 217 GLN CA . 16183 1 1219 . 1 1 99 99 GLN CB C 13 28.115 0.3 . 1 . . . . 217 GLN CB . 16183 1 1220 . 1 1 99 99 GLN CG C 13 32.230 0.3 . 1 . . . . 217 GLN CG . 16183 1 1221 . 1 1 99 99 GLN N N 15 121.797 0.3 . 1 . . . . 217 GLN N . 16183 1 1222 . 1 1 99 99 GLN NE2 N 15 114.540 0.3 . 1 . . . . 217 GLN NE2 . 16183 1 1223 . 1 1 100 100 TYR H H 1 8.472 0.020 . 1 . . . . 218 TYR H . 16183 1 1224 . 1 1 100 100 TYR HA H 1 2.989 0.020 . 1 . . . . 218 TYR HA . 16183 1 1225 . 1 1 100 100 TYR HB2 H 1 3.042 0.020 . 2 . . . . 218 TYR HB2 . 16183 1 1226 . 1 1 100 100 TYR HB3 H 1 2.735 0.020 . 2 . . . . 218 TYR HB3 . 16183 1 1227 . 1 1 100 100 TYR HD1 H 1 6.223 0.020 . 1 . . . . 218 TYR HD1 . 16183 1 1228 . 1 1 100 100 TYR HD2 H 1 6.223 0.020 . 1 . . . . 218 TYR HD2 . 16183 1 1229 . 1 1 100 100 TYR HE1 H 1 6.441 0.020 . 1 . . . . 218 TYR HE1 . 16183 1 1230 . 1 1 100 100 TYR HE2 H 1 6.441 0.020 . 1 . . . . 218 TYR HE2 . 16183 1 1231 . 1 1 100 100 TYR C C 13 174.393 0.3 . 1 . . . . 218 TYR C . 16183 1 1232 . 1 1 100 100 TYR CA C 13 62.286 0.3 . 1 . . . . 218 TYR CA . 16183 1 1233 . 1 1 100 100 TYR CB C 13 36.939 0.3 . 1 . . . . 218 TYR CB . 16183 1 1234 . 1 1 100 100 TYR CD1 C 13 132.990 0.3 . 1 . . . . 218 TYR CD1 . 16183 1 1235 . 1 1 100 100 TYR CE1 C 13 117.269 0.3 . 1 . . . . 218 TYR CE1 . 16183 1 1236 . 1 1 100 100 TYR N N 15 119.862 0.3 . 1 . . . . 218 TYR N . 16183 1 1237 . 1 1 101 101 GLN H H 1 8.231 0.020 . 1 . . . . 219 GLN H . 16183 1 1238 . 1 1 101 101 GLN HA H 1 3.850 0.020 . 1 . . . . 219 GLN HA . 16183 1 1239 . 1 1 101 101 GLN HB2 H 1 2.299 0.020 . 2 . . . . 219 GLN HB2 . 16183 1 1240 . 1 1 101 101 GLN HB3 H 1 2.121 0.020 . 2 . . . . 219 GLN HB3 . 16183 1 1241 . 1 1 101 101 GLN HE21 H 1 7.466 0.020 . 1 . . . . 219 GLN HE21 . 16183 1 1242 . 1 1 101 101 GLN HE22 H 1 6.803 0.020 . 1 . . . . 219 GLN HE22 . 16183 1 1243 . 1 1 101 101 GLN HG2 H 1 2.698 0.020 . 2 . . . . 219 GLN HG2 . 16183 1 1244 . 1 1 101 101 GLN HG3 H 1 2.500 0.020 . 2 . . . . 219 GLN HG3 . 16183 1 1245 . 1 1 101 101 GLN C C 13 176.507 0.3 . 1 . . . . 219 GLN C . 16183 1 1246 . 1 1 101 101 GLN CA C 13 58.694 0.3 . 1 . . . . 219 GLN CA . 16183 1 1247 . 1 1 101 101 GLN CB C 13 27.634 0.3 . 1 . . . . 219 GLN CB . 16183 1 1248 . 1 1 101 101 GLN CG C 13 33.755 0.3 . 1 . . . . 219 GLN CG . 16183 1 1249 . 1 1 101 101 GLN N N 15 117.214 0.3 . 1 . . . . 219 GLN N . 16183 1 1250 . 1 1 101 101 GLN NE2 N 15 110.831 0.3 . 1 . . . . 219 GLN NE2 . 16183 1 1251 . 1 1 102 102 ASN H H 1 8.387 0.020 . 1 . . . . 220 ASN H . 16183 1 1252 . 1 1 102 102 ASN HA H 1 4.416 0.020 . 1 . . . . 220 ASN HA . 16183 1 1253 . 1 1 102 102 ASN HB2 H 1 2.870 0.020 . 2 . . . . 220 ASN HB2 . 16183 1 1254 . 1 1 102 102 ASN HB3 H 1 2.847 0.020 . 2 . . . . 220 ASN HB3 . 16183 1 1255 . 1 1 102 102 ASN HD21 H 1 7.288 0.020 . 1 . . . . 220 ASN HD21 . 16183 1 1256 . 1 1 102 102 ASN HD22 H 1 6.911 0.020 . 1 . . . . 220 ASN HD22 . 16183 1 1257 . 1 1 102 102 ASN C C 13 176.002 0.3 . 1 . . . . 220 ASN C . 16183 1 1258 . 1 1 102 102 ASN CA C 13 55.721 0.3 . 1 . . . . 220 ASN CA . 16183 1 1259 . 1 1 102 102 ASN CB C 13 37.771 0.3 . 1 . . . . 220 ASN CB . 16183 1 1260 . 1 1 102 102 ASN N N 15 118.662 0.3 . 1 . . . . 220 ASN N . 16183 1 1261 . 1 1 102 102 ASN ND2 N 15 110.637 0.3 . 1 . . . . 220 ASN ND2 . 16183 1 1262 . 1 1 103 103 GLU H H 1 8.251 0.020 . 1 . . . . 221 GLU H . 16183 1 1263 . 1 1 103 103 GLU HA H 1 4.021 0.020 . 1 . . . . 221 GLU HA . 16183 1 1264 . 1 1 103 103 GLU HB2 H 1 2.039 0.020 . 2 . . . . 221 GLU HB2 . 16183 1 1265 . 1 1 103 103 GLU HB3 H 1 1.804 0.020 . 2 . . . . 221 GLU HB3 . 16183 1 1266 . 1 1 103 103 GLU HG2 H 1 2.419 0.020 . 2 . . . . 221 GLU HG2 . 16183 1 1267 . 1 1 103 103 GLU HG3 H 1 2.409 0.020 . 2 . . . . 221 GLU HG3 . 16183 1 1268 . 1 1 103 103 GLU C C 13 176.161 0.3 . 1 . . . . 221 GLU C . 16183 1 1269 . 1 1 103 103 GLU CA C 13 57.984 0.3 . 1 . . . . 221 GLU CA . 16183 1 1270 . 1 1 103 103 GLU CB C 13 29.687 0.3 . 1 . . . . 221 GLU CB . 16183 1 1271 . 1 1 103 103 GLU CG C 13 35.430 0.3 . 1 . . . . 221 GLU CG . 16183 1 1272 . 1 1 103 103 GLU N N 15 120.083 0.3 . 1 . . . . 221 GLU N . 16183 1 1273 . 1 1 104 104 TYR H H 1 8.865 0.020 . 1 . . . . 222 TYR H . 16183 1 1274 . 1 1 104 104 TYR HA H 1 3.761 0.020 . 1 . . . . 222 TYR HA . 16183 1 1275 . 1 1 104 104 TYR HB2 H 1 2.761 0.020 . 2 . . . . 222 TYR HB2 . 16183 1 1276 . 1 1 104 104 TYR HB3 H 1 2.334 0.020 . 2 . . . . 222 TYR HB3 . 16183 1 1277 . 1 1 104 104 TYR HD1 H 1 6.869 0.020 . 1 . . . . 222 TYR HD1 . 16183 1 1278 . 1 1 104 104 TYR HD2 H 1 6.869 0.020 . 1 . . . . 222 TYR HD2 . 16183 1 1279 . 1 1 104 104 TYR HE1 H 1 6.767 0.020 . 1 . . . . 222 TYR HE1 . 16183 1 1280 . 1 1 104 104 TYR HE2 H 1 6.767 0.020 . 1 . . . . 222 TYR HE2 . 16183 1 1281 . 1 1 104 104 TYR C C 13 175.337 0.3 . 1 . . . . 222 TYR C . 16183 1 1282 . 1 1 104 104 TYR CA C 13 61.304 0.3 . 1 . . . . 222 TYR CA . 16183 1 1283 . 1 1 104 104 TYR CB C 13 38.300 0.3 . 1 . . . . 222 TYR CB . 16183 1 1284 . 1 1 104 104 TYR CD1 C 13 133.041 0.3 . 1 . . . . 222 TYR CD1 . 16183 1 1285 . 1 1 104 104 TYR CE1 C 13 118.176 0.3 . 1 . . . . 222 TYR CE1 . 16183 1 1286 . 1 1 104 104 TYR N N 15 122.456 0.3 . 1 . . . . 222 TYR N . 16183 1 1287 . 1 1 105 105 GLN H H 1 8.134 0.020 . 1 . . . . 223 GLN H . 16183 1 1288 . 1 1 105 105 GLN HA H 1 3.993 0.020 . 1 . . . . 223 GLN HA . 16183 1 1289 . 1 1 105 105 GLN HB2 H 1 2.132 0.020 . 1 . . . . 223 GLN HB2 . 16183 1 1290 . 1 1 105 105 GLN HB3 H 1 2.132 0.020 . 1 . . . . 223 GLN HB3 . 16183 1 1291 . 1 1 105 105 GLN HE21 H 1 7.520 0.020 . 1 . . . . 223 GLN HE21 . 16183 1 1292 . 1 1 105 105 GLN HE22 H 1 6.921 0.020 . 1 . . . . 223 GLN HE22 . 16183 1 1293 . 1 1 105 105 GLN HG2 H 1 2.537 0.020 . 2 . . . . 223 GLN HG2 . 16183 1 1294 . 1 1 105 105 GLN HG3 H 1 2.466 0.020 . 2 . . . . 223 GLN HG3 . 16183 1 1295 . 1 1 105 105 GLN C C 13 175.666 0.3 . 1 . . . . 223 GLN C . 16183 1 1296 . 1 1 105 105 GLN CA C 13 57.887 0.3 . 1 . . . . 223 GLN CA . 16183 1 1297 . 1 1 105 105 GLN CB C 13 28.370 0.3 . 1 . . . . 223 GLN CB . 16183 1 1298 . 1 1 105 105 GLN CG C 13 33.940 0.3 . 1 . . . . 223 GLN CG . 16183 1 1299 . 1 1 105 105 GLN N N 15 117.912 0.3 . 1 . . . . 223 GLN N . 16183 1 1300 . 1 1 105 105 GLN NE2 N 15 111.780 0.3 . 1 . . . . 223 GLN NE2 . 16183 1 1301 . 1 1 106 106 ALA H H 1 7.659 0.020 . 1 . . . . 224 ALA H . 16183 1 1302 . 1 1 106 106 ALA HA H 1 4.114 0.020 . 1 . . . . 224 ALA HA . 16183 1 1303 . 1 1 106 106 ALA HB1 H 1 1.459 0.020 . 1 . . . . 224 ALA HB . 16183 1 1304 . 1 1 106 106 ALA HB2 H 1 1.459 0.020 . 1 . . . . 224 ALA HB . 16183 1 1305 . 1 1 106 106 ALA HB3 H 1 1.459 0.020 . 1 . . . . 224 ALA HB . 16183 1 1306 . 1 1 106 106 ALA C C 13 176.392 0.3 . 1 . . . . 224 ALA C . 16183 1 1307 . 1 1 106 106 ALA CA C 13 53.974 0.3 . 1 . . . . 224 ALA CA . 16183 1 1308 . 1 1 106 106 ALA CB C 13 18.329 0.3 . 1 . . . . 224 ALA CB . 16183 1 1309 . 1 1 106 106 ALA N N 15 121.464 0.3 . 1 . . . . 224 ALA N . 16183 1 1310 . 1 1 107 107 ALA H H 1 7.643 0.020 . 1 . . . . 225 ALA H . 16183 1 1311 . 1 1 107 107 ALA HA H 1 4.171 0.020 . 1 . . . . 225 ALA HA . 16183 1 1312 . 1 1 107 107 ALA HB1 H 1 1.366 0.020 . 1 . . . . 225 ALA HB . 16183 1 1313 . 1 1 107 107 ALA HB2 H 1 1.366 0.020 . 1 . . . . 225 ALA HB . 16183 1 1314 . 1 1 107 107 ALA HB3 H 1 1.366 0.020 . 1 . . . . 225 ALA HB . 16183 1 1315 . 1 1 107 107 ALA C C 13 175.997 0.3 . 1 . . . . 225 ALA C . 16183 1 1316 . 1 1 107 107 ALA CA C 13 53.136 0.3 . 1 . . . . 225 ALA CA . 16183 1 1317 . 1 1 107 107 ALA CB C 13 18.422 0.3 . 1 . . . . 225 ALA CB . 16183 1 1318 . 1 1 107 107 ALA N N 15 120.150 0.3 . 1 . . . . 225 ALA N . 16183 1 1319 . 1 1 108 108 GLN H H 1 7.646 0.020 . 1 . . . . 226 GLN H . 16183 1 1320 . 1 1 108 108 GLN HA H 1 4.043 0.020 . 1 . . . . 226 GLN HA . 16183 1 1321 . 1 1 108 108 GLN HB2 H 1 2.009 0.020 . 2 . . . . 226 GLN HB2 . 16183 1 1322 . 1 1 108 108 GLN HB3 H 1 1.896 0.020 . 2 . . . . 226 GLN HB3 . 16183 1 1323 . 1 1 108 108 GLN HE21 H 1 7.031 0.020 . 1 . . . . 226 GLN HE21 . 16183 1 1324 . 1 1 108 108 GLN HE22 H 1 6.733 0.020 . 1 . . . . 226 GLN HE22 . 16183 1 1325 . 1 1 108 108 GLN HG2 H 1 2.190 0.020 . 2 . . . . 226 GLN HG2 . 16183 1 1326 . 1 1 108 108 GLN HG3 H 1 2.167 0.020 . 2 . . . . 226 GLN HG3 . 16183 1 1327 . 1 1 108 108 GLN C C 13 173.820 0.3 . 1 . . . . 226 GLN C . 16183 1 1328 . 1 1 108 108 GLN CA C 13 55.968 0.3 . 1 . . . . 226 GLN CA . 16183 1 1329 . 1 1 108 108 GLN CB C 13 28.605 0.3 . 1 . . . . 226 GLN CB . 16183 1 1330 . 1 1 108 108 GLN CG C 13 33.444 0.3 . 1 . . . . 226 GLN CG . 16183 1 1331 . 1 1 108 108 GLN N N 15 116.758 0.3 . 1 . . . . 226 GLN N . 16183 1 1332 . 1 1 108 108 GLN NE2 N 15 112.999 0.3 . 1 . . . . 226 GLN NE2 . 16183 1 1333 . 1 1 109 109 ARG H H 1 7.734 0.020 . 1 . . . . 227 ARG H . 16183 1 1334 . 1 1 109 109 ARG HA H 1 4.178 0.020 . 1 . . . . 227 ARG HA . 16183 1 1335 . 1 1 109 109 ARG HB2 H 1 1.625 0.020 . 2 . . . . 227 ARG HB2 . 16183 1 1336 . 1 1 109 109 ARG HB3 H 1 1.644 0.020 . 2 . . . . 227 ARG HB3 . 16183 1 1337 . 1 1 109 109 ARG HD2 H 1 3.106 0.020 . 2 . . . . 227 ARG HD2 . 16183 1 1338 . 1 1 109 109 ARG HD3 H 1 3.093 0.020 . 2 . . . . 227 ARG HD3 . 16183 1 1339 . 1 1 109 109 ARG HE H 1 7.116 0.020 . 1 . . . . 227 ARG HE . 16183 1 1340 . 1 1 109 109 ARG HG2 H 1 1.460 0.020 . 2 . . . . 227 ARG HG2 . 16183 1 1341 . 1 1 109 109 ARG HG3 H 1 1.422 0.020 . 2 . . . . 227 ARG HG3 . 16183 1 1342 . 1 1 109 109 ARG C C 13 173.336 0.3 . 1 . . . . 227 ARG C . 16183 1 1343 . 1 1 109 109 ARG CA C 13 56.205 0.3 . 1 . . . . 227 ARG CA . 16183 1 1344 . 1 1 109 109 ARG CB C 13 30.454 0.3 . 1 . . . . 227 ARG CB . 16183 1 1345 . 1 1 109 109 ARG CD C 13 43.230 0.3 . 1 . . . . 227 ARG CD . 16183 1 1346 . 1 1 109 109 ARG CG C 13 26.853 0.3 . 1 . . . . 227 ARG CG . 16183 1 1347 . 1 1 109 109 ARG N N 15 119.759 0.3 . 1 . . . . 227 ARG N . 16183 1 1348 . 1 1 109 109 ARG NE N 15 84.699 0.3 . 1 . . . . 227 ARG NE . 16183 1 1349 . 1 1 110 110 TYR H H 1 7.902 0.020 . 1 . . . . 228 TYR H . 16183 1 1350 . 1 1 110 110 TYR HA H 1 4.488 0.020 . 1 . . . . 228 TYR HA . 16183 1 1351 . 1 1 110 110 TYR HB2 H 1 2.957 0.020 . 2 . . . . 228 TYR HB2 . 16183 1 1352 . 1 1 110 110 TYR HB3 H 1 2.798 0.020 . 2 . . . . 228 TYR HB3 . 16183 1 1353 . 1 1 110 110 TYR HD1 H 1 7.002 0.020 . 1 . . . . 228 TYR HD1 . 16183 1 1354 . 1 1 110 110 TYR HD2 H 1 7.002 0.020 . 1 . . . . 228 TYR HD2 . 16183 1 1355 . 1 1 110 110 TYR HE1 H 1 6.774 0.020 . 1 . . . . 228 TYR HE1 . 16183 1 1356 . 1 1 110 110 TYR HE2 H 1 6.774 0.020 . 1 . . . . 228 TYR HE2 . 16183 1 1357 . 1 1 110 110 TYR C C 13 172.918 0.3 . 1 . . . . 228 TYR C . 16183 1 1358 . 1 1 110 110 TYR CA C 13 57.778 0.3 . 1 . . . . 228 TYR CA . 16183 1 1359 . 1 1 110 110 TYR CB C 13 38.709 0.3 . 1 . . . . 228 TYR CB . 16183 1 1360 . 1 1 110 110 TYR CD1 C 13 133.103 0.3 . 1 . . . . 228 TYR CD1 . 16183 1 1361 . 1 1 110 110 TYR CE1 C 13 118.072 0.3 . 1 . . . . 228 TYR CE1 . 16183 1 1362 . 1 1 110 110 TYR N N 15 119.857 0.3 . 1 . . . . 228 TYR N . 16183 1 1363 . 1 1 111 111 TYR H H 1 7.995 0.020 . 1 . . . . 229 TYR H . 16183 1 1364 . 1 1 111 111 TYR HA H 1 4.580 0.020 . 1 . . . . 229 TYR HA . 16183 1 1365 . 1 1 111 111 TYR HB2 H 1 3.119 0.020 . 2 . . . . 229 TYR HB2 . 16183 1 1366 . 1 1 111 111 TYR HB3 H 1 2.863 0.020 . 2 . . . . 229 TYR HB3 . 16183 1 1367 . 1 1 111 111 TYR HD1 H 1 7.105 0.020 . 1 . . . . 229 TYR HD1 . 16183 1 1368 . 1 1 111 111 TYR HD2 H 1 7.105 0.020 . 1 . . . . 229 TYR HD2 . 16183 1 1369 . 1 1 111 111 TYR HE1 H 1 6.804 0.020 . 1 . . . . 229 TYR HE1 . 16183 1 1370 . 1 1 111 111 TYR HE2 H 1 6.804 0.020 . 1 . . . . 229 TYR HE2 . 16183 1 1371 . 1 1 111 111 TYR C C 13 172.174 0.3 . 1 . . . . 229 TYR C . 16183 1 1372 . 1 1 111 111 TYR CA C 13 57.472 0.3 . 1 . . . . 229 TYR CA . 16183 1 1373 . 1 1 111 111 TYR CB C 13 38.804 0.3 . 1 . . . . 229 TYR CB . 16183 1 1374 . 1 1 111 111 TYR CD1 C 13 133.299 0.3 . 1 . . . . 229 TYR CD1 . 16183 1 1375 . 1 1 111 111 TYR CE1 C 13 118.080 0.3 . 1 . . . . 229 TYR CE1 . 16183 1 1376 . 1 1 111 111 TYR N N 15 120.660 0.3 . 1 . . . . 229 TYR N . 16183 1 1377 . 1 1 112 112 ASN H H 1 7.910 0.020 . 1 . . . . 230 ASN H . 16183 1 1378 . 1 1 112 112 ASN HA H 1 4.475 0.020 . 1 . . . . 230 ASN HA . 16183 1 1379 . 1 1 112 112 ASN HB2 H 1 2.767 0.020 . 2 . . . . 230 ASN HB2 . 16183 1 1380 . 1 1 112 112 ASN HB3 H 1 2.672 0.020 . 2 . . . . 230 ASN HB3 . 16183 1 1381 . 1 1 112 112 ASN HD21 H 1 7.518 0.020 . 1 . . . . 230 ASN HD21 . 16183 1 1382 . 1 1 112 112 ASN HD22 H 1 6.832 0.020 . 1 . . . . 230 ASN HD22 . 16183 1 1383 . 1 1 112 112 ASN C C 13 176.652 0.3 . 1 . . . . 230 ASN C . 16183 1 1384 . 1 1 112 112 ASN CA C 13 54.431 0.3 . 1 . . . . 230 ASN CA . 16183 1 1385 . 1 1 112 112 ASN CB C 13 40.317 0.3 . 1 . . . . 230 ASN CB . 16183 1 1386 . 1 1 112 112 ASN N N 15 124.529 0.3 . 1 . . . . 230 ASN N . 16183 1 1387 . 1 1 112 112 ASN ND2 N 15 112.570 0.3 . 1 . . . . 230 ASN ND2 . 16183 1 stop_ save_