data_25400 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25400 _Entry.Title ; Solution structure of firefly light organ fatty acid binding protein (lcFABP) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-12-18 _Entry.Accession_date 2014-12-18 _Entry.Last_release_date 2016-01-19 _Entry.Original_release_date 2016-01-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Kai-Li Tseng . . . . 25400 2 Ping-Chiang Lyu . . . . 25400 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Institute of Bioinformatics and Structural Biology, National Tsing Hua University, Taiwan' . 25400 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25400 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 512 25400 '15N chemical shifts' 136 25400 '1H chemical shifts' 853 25400 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 2 . . 2016-09-09 2014-12-18 update BMRB 'update entry citation' 25400 1 . . 2016-01-19 2014-12-18 original author 'original release' 25400 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25400 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26373428 _Citation.Full_citation . _Citation.Title ; (1)H, (15)N and (13)C resonance assignments of light organ-associated fatty acid-binding protein of Taiwanese fireflies ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 1 _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 71 _Citation.Page_last 74 _Citation.Year 2016 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Kai-Li Tseng . . . . 25400 1 2 Yi-Zong Lee . . . . 25400 1 3 Yun-Ru Chen . . . . 25400 1 4 Ping-Chiang Lyu . . . . 25400 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25400 _Assembly.ID 1 _Assembly.Name lcFABP _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 14434 _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 lcFABP 1 $lcFABP A . yes native no no . . . 25400 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_lcFABP _Entity.Sf_category entity _Entity.Sf_framecode lcFABP _Entity.Entry_ID 25400 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name lcFABP _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MVQLAGTYKLEKNENFEEYL AALGVPQDSIKKANSPGVVY EIIVNGNKFTFKSSSGMNST LIVNEEVEEVLGTVNMNIKS FTKLEGSKLVVNSELPDGRK GTRTYEFCDKGFVLTMCAGD MVAKRYFIRT ; _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 130 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes NCBI JN222802 . lcFABP . . . . . . . . . . . . . . 25400 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 . MET . 25400 1 2 . VAL . 25400 1 3 . GLN . 25400 1 4 . LEU . 25400 1 5 . ALA . 25400 1 6 . GLY . 25400 1 7 . THR . 25400 1 8 . TYR . 25400 1 9 . LYS . 25400 1 10 . LEU . 25400 1 11 . GLU . 25400 1 12 . LYS . 25400 1 13 . ASN . 25400 1 14 . GLU . 25400 1 15 . ASN . 25400 1 16 . PHE . 25400 1 17 . GLU . 25400 1 18 . GLU . 25400 1 19 . TYR . 25400 1 20 . LEU . 25400 1 21 . ALA . 25400 1 22 . ALA . 25400 1 23 . LEU . 25400 1 24 . GLY . 25400 1 25 . VAL . 25400 1 26 . PRO . 25400 1 27 . GLN . 25400 1 28 . ASP . 25400 1 29 . SER . 25400 1 30 . ILE . 25400 1 31 . LYS . 25400 1 32 . LYS . 25400 1 33 . ALA . 25400 1 34 . ASN . 25400 1 35 . SER . 25400 1 36 . PRO . 25400 1 37 . GLY . 25400 1 38 . VAL . 25400 1 39 . VAL . 25400 1 40 . TYR . 25400 1 41 . GLU . 25400 1 42 . ILE . 25400 1 43 . ILE . 25400 1 44 . VAL . 25400 1 45 . ASN . 25400 1 46 . GLY . 25400 1 47 . ASN . 25400 1 48 . LYS . 25400 1 49 . PHE . 25400 1 50 . THR . 25400 1 51 . PHE . 25400 1 52 . LYS . 25400 1 53 . SER . 25400 1 54 . SER . 25400 1 55 . SER . 25400 1 56 . GLY . 25400 1 57 . MET . 25400 1 58 . ASN . 25400 1 59 . SER . 25400 1 60 . THR . 25400 1 61 . LEU . 25400 1 62 . ILE . 25400 1 63 . VAL . 25400 1 64 . ASN . 25400 1 65 . GLU . 25400 1 66 . GLU . 25400 1 67 . VAL . 25400 1 68 . GLU . 25400 1 69 . GLU . 25400 1 70 . VAL . 25400 1 71 . LEU . 25400 1 72 . GLY . 25400 1 73 . THR . 25400 1 74 . VAL . 25400 1 75 . ASN . 25400 1 76 . MET . 25400 1 77 . ASN . 25400 1 78 . ILE . 25400 1 79 . LYS . 25400 1 80 . SER . 25400 1 81 . PHE . 25400 1 82 . THR . 25400 1 83 . LYS . 25400 1 84 . LEU . 25400 1 85 . GLU . 25400 1 86 . GLY . 25400 1 87 . SER . 25400 1 88 . LYS . 25400 1 89 . LEU . 25400 1 90 . VAL . 25400 1 91 . VAL . 25400 1 92 . ASN . 25400 1 93 . SER . 25400 1 94 . GLU . 25400 1 95 . LEU . 25400 1 96 . PRO . 25400 1 97 . ASP . 25400 1 98 . GLY . 25400 1 99 . ARG . 25400 1 100 . LYS . 25400 1 101 . GLY . 25400 1 102 . THR . 25400 1 103 . ARG . 25400 1 104 . THR . 25400 1 105 . TYR . 25400 1 106 . GLU . 25400 1 107 . PHE . 25400 1 108 . CYS . 25400 1 109 . ASP . 25400 1 110 . LYS . 25400 1 111 . GLY . 25400 1 112 . PHE . 25400 1 113 . VAL . 25400 1 114 . LEU . 25400 1 115 . THR . 25400 1 116 . MET . 25400 1 117 . CYS . 25400 1 118 . ALA . 25400 1 119 . GLY . 25400 1 120 . ASP . 25400 1 121 . MET . 25400 1 122 . VAL . 25400 1 123 . ALA . 25400 1 124 . LYS . 25400 1 125 . ARG . 25400 1 126 . TYR . 25400 1 127 . PHE . 25400 1 128 . ILE . 25400 1 129 . ARG . 25400 1 130 . THR . 25400 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 . MET 1 1 25400 1 . VAL 2 2 25400 1 . GLN 3 3 25400 1 . LEU 4 4 25400 1 . ALA 5 5 25400 1 . GLY 6 6 25400 1 . THR 7 7 25400 1 . TYR 8 8 25400 1 . LYS 9 9 25400 1 . LEU 10 10 25400 1 . GLU 11 11 25400 1 . LYS 12 12 25400 1 . ASN 13 13 25400 1 . GLU 14 14 25400 1 . ASN 15 15 25400 1 . PHE 16 16 25400 1 . GLU 17 17 25400 1 . GLU 18 18 25400 1 . TYR 19 19 25400 1 . LEU 20 20 25400 1 . ALA 21 21 25400 1 . ALA 22 22 25400 1 . LEU 23 23 25400 1 . GLY 24 24 25400 1 . VAL 25 25 25400 1 . PRO 26 26 25400 1 . GLN 27 27 25400 1 . ASP 28 28 25400 1 . SER 29 29 25400 1 . ILE 30 30 25400 1 . LYS 31 31 25400 1 . LYS 32 32 25400 1 . ALA 33 33 25400 1 . ASN 34 34 25400 1 . SER 35 35 25400 1 . PRO 36 36 25400 1 . GLY 37 37 25400 1 . VAL 38 38 25400 1 . VAL 39 39 25400 1 . TYR 40 40 25400 1 . GLU 41 41 25400 1 . ILE 42 42 25400 1 . ILE 43 43 25400 1 . VAL 44 44 25400 1 . ASN 45 45 25400 1 . GLY 46 46 25400 1 . ASN 47 47 25400 1 . LYS 48 48 25400 1 . PHE 49 49 25400 1 . THR 50 50 25400 1 . PHE 51 51 25400 1 . LYS 52 52 25400 1 . SER 53 53 25400 1 . SER 54 54 25400 1 . SER 55 55 25400 1 . GLY 56 56 25400 1 . MET 57 57 25400 1 . ASN 58 58 25400 1 . SER 59 59 25400 1 . THR 60 60 25400 1 . LEU 61 61 25400 1 . ILE 62 62 25400 1 . VAL 63 63 25400 1 . ASN 64 64 25400 1 . GLU 65 65 25400 1 . GLU 66 66 25400 1 . VAL 67 67 25400 1 . GLU 68 68 25400 1 . GLU 69 69 25400 1 . VAL 70 70 25400 1 . LEU 71 71 25400 1 . GLY 72 72 25400 1 . THR 73 73 25400 1 . VAL 74 74 25400 1 . ASN 75 75 25400 1 . MET 76 76 25400 1 . ASN 77 77 25400 1 . ILE 78 78 25400 1 . LYS 79 79 25400 1 . SER 80 80 25400 1 . PHE 81 81 25400 1 . THR 82 82 25400 1 . LYS 83 83 25400 1 . LEU 84 84 25400 1 . GLU 85 85 25400 1 . GLY 86 86 25400 1 . SER 87 87 25400 1 . LYS 88 88 25400 1 . LEU 89 89 25400 1 . VAL 90 90 25400 1 . VAL 91 91 25400 1 . ASN 92 92 25400 1 . SER 93 93 25400 1 . GLU 94 94 25400 1 . LEU 95 95 25400 1 . PRO 96 96 25400 1 . ASP 97 97 25400 1 . GLY 98 98 25400 1 . ARG 99 99 25400 1 . LYS 100 100 25400 1 . GLY 101 101 25400 1 . THR 102 102 25400 1 . ARG 103 103 25400 1 . THR 104 104 25400 1 . TYR 105 105 25400 1 . GLU 106 106 25400 1 . PHE 107 107 25400 1 . CYS 108 108 25400 1 . ASP 109 109 25400 1 . LYS 110 110 25400 1 . GLY 111 111 25400 1 . PHE 112 112 25400 1 . VAL 113 113 25400 1 . LEU 114 114 25400 1 . THR 115 115 25400 1 . MET 116 116 25400 1 . CYS 117 117 25400 1 . ALA 118 118 25400 1 . GLY 119 119 25400 1 . ASP 120 120 25400 1 . MET 121 121 25400 1 . VAL 122 122 25400 1 . ALA 123 123 25400 1 . LYS 124 124 25400 1 . ARG 125 125 25400 1 . TYR 126 126 25400 1 . PHE 127 127 25400 1 . ILE 128 128 25400 1 . ARG 129 129 25400 1 . THR 130 130 25400 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 25400 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $lcFABP . 1071519 organism . 'Luciola cerata' beetles . . Eukaryota Metazoa Luciola cerata . . . . . . . . . . . . . 25400 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 25400 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $lcFABP . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pET23a . . . 25400 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25400 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 lcFABP '[U-98% 13C; U-98% 15N]' . . 1 $lcFABP . . 0.9 . . mM . . . . 25400 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25400 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25400 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 25400 1 5 L-Arg 'natural abundance' . . . . . . 50 . . mM . . . . 25400 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25400 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25400 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 25400 _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' 0.12 . M 25400 1 pH 5.9 . pH 25400 1 pressure 1 . atm 25400 1 temperature 298 . K 25400 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 25400 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 25400 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25400 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25400 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25400 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25400 2 processing 25400 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25400 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.114 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25400 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25400 3 'peak picking' 25400 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 25400 _Software.ID 4 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 25400 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25400 4 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 25400 _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' . . 25400 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25400 5 'graphic display' 25400 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25400 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25400 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25400 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian VNMRS . 700 . . . 25400 1 2 spectrometer_2 Bruker Avance . 600 . . . 25400 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 25400 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25400 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25400 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25400 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25400 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25400 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25400 1 7 '3D CC(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25400 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25400 1 9 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25400 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25400 1 11 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25400 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25400 1 13 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25400 1 14 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25400 1 15 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25400 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 25400 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25400 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25400 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25400 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 25400 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25400 1 2 '3D HNCACB' . . . 25400 1 3 '3D CBCA(CO)NH' . . . 25400 1 4 '3D HNCA' . . . 25400 1 5 '3D HN(CO)CA' . . . 25400 1 6 '3D HNCO' . . . 25400 1 7 '3D CC(CO)NH' . . . 25400 1 8 '3D H(CCO)NH' . . . 25400 1 10 '3D HCCH-TOCSY' . . . 25400 1 11 '3D HCCH-COSY' . . . 25400 1 12 '3D 1H-15N NOESY' . . . 25400 1 14 '3D HBHA(CO)NH' . . . 25400 1 15 '3D HN(CA)CO' . . . 25400 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 MET HA H 1 3.988 0.003 . 1 . . . . 1 MET HA . 25400 1 2 . 1 1 1 1 MET HB2 H 1 1.981 0.001 . 2 . . . . 1 MET HB2 . 25400 1 3 . 1 1 1 1 MET HB3 H 1 1.981 0.001 . 2 . . . . 1 MET HB3 . 25400 1 4 . 1 1 1 1 MET C C 13 172.37 0.027 . 1 . . . . 1 MET C . 25400 1 5 . 1 1 1 1 MET CA C 13 54.761 0.013 . 1 . . . . 1 MET CA . 25400 1 6 . 1 1 1 1 MET CB C 13 32.835 0.041 . 1 . . . . 1 MET CB . 25400 1 7 . 1 1 2 2 VAL H H 1 8.299 0.004 . 1 . . . . 2 VAL H . 25400 1 8 . 1 1 2 2 VAL HA H 1 3.868 0.012 . 1 . . . . 2 VAL HA . 25400 1 9 . 1 1 2 2 VAL HB H 1 1.768 0.011 . 1 . . . . 2 VAL HB . 25400 1 10 . 1 1 2 2 VAL HG11 H 1 0.62 0.006 . 2 . . . . 2 VAL MG1 . 25400 1 11 . 1 1 2 2 VAL HG12 H 1 0.62 0.006 . 2 . . . . 2 VAL MG1 . 25400 1 12 . 1 1 2 2 VAL HG13 H 1 0.62 0.006 . 2 . . . . 2 VAL MG1 . 25400 1 13 . 1 1 2 2 VAL HG21 H 1 0.774 0.017 . 2 . . . . 2 VAL MG2 . 25400 1 14 . 1 1 2 2 VAL HG22 H 1 0.774 0.017 . 2 . . . . 2 VAL MG2 . 25400 1 15 . 1 1 2 2 VAL HG23 H 1 0.774 0.017 . 2 . . . . 2 VAL MG2 . 25400 1 16 . 1 1 2 2 VAL C C 13 174.439 0.068 . 1 . . . . 2 VAL C . 25400 1 17 . 1 1 2 2 VAL CA C 13 62.134 0.045 . 1 . . . . 2 VAL CA . 25400 1 18 . 1 1 2 2 VAL CB C 13 32.662 0.107 . 1 . . . . 2 VAL CB . 25400 1 19 . 1 1 2 2 VAL CG1 C 13 20.918 0.029 . 2 . . . . 2 VAL CG1 . 25400 1 20 . 1 1 2 2 VAL N N 15 124.166 0.059 . 1 . . . . 2 VAL N . 25400 1 21 . 1 1 3 3 GLN H H 1 8.496 0.006 . 1 . . . . 3 GLN H . 25400 1 22 . 1 1 3 3 GLN HA H 1 4.075 0.047 . 1 . . . . 3 GLN HA . 25400 1 23 . 1 1 3 3 GLN HB2 H 1 1.903 0.016 . 2 . . . . 3 GLN HB2 . 25400 1 24 . 1 1 3 3 GLN HB3 H 1 1.814 0.01 . 2 . . . . 3 GLN HB3 . 25400 1 25 . 1 1 3 3 GLN HG2 H 1 2.278 0.009 . 2 . . . . 3 GLN HG2 . 25400 1 26 . 1 1 3 3 GLN HG3 H 1 2.278 0.009 . 2 . . . . 3 GLN HG3 . 25400 1 27 . 1 1 3 3 GLN HE21 H 1 7.427 0.006 . 2 . . . . 3 GLN HE21 . 25400 1 28 . 1 1 3 3 GLN HE22 H 1 6.738 0.002 . 2 . . . . 3 GLN HE22 . 25400 1 29 . 1 1 3 3 GLN C C 13 174.016 0.117 . 1 . . . . 3 GLN C . 25400 1 30 . 1 1 3 3 GLN CA C 13 55.238 0.084 . 1 . . . . 3 GLN CA . 25400 1 31 . 1 1 3 3 GLN CB C 13 29.191 0.081 . 1 . . . . 3 GLN CB . 25400 1 32 . 1 1 3 3 GLN CG C 13 33.625 0.024 . 1 . . . . 3 GLN CG . 25400 1 33 . 1 1 3 3 GLN N N 15 126.701 0.046 . 1 . . . . 3 GLN N . 25400 1 34 . 1 1 3 3 GLN NE2 N 15 112.136 0.096 . 1 . . . . 3 GLN NE2 . 25400 1 35 . 1 1 4 4 LEU H H 1 7.899 0.004 . 1 . . . . 4 LEU H . 25400 1 36 . 1 1 4 4 LEU HA H 1 3.54 0.006 . 1 . . . . 4 LEU HA . 25400 1 37 . 1 1 4 4 LEU HB2 H 1 0.419 0.012 . 2 . . . . 4 LEU HB2 . 25400 1 38 . 1 1 4 4 LEU HB3 H 1 1.071 0.01 . 2 . . . . 4 LEU HB3 . 25400 1 39 . 1 1 4 4 LEU HG H 1 0.456 0.015 . 1 . . . . 4 LEU HG . 25400 1 40 . 1 1 4 4 LEU HD11 H 1 0.417 0.01 . 2 . . . . 4 LEU MD1 . 25400 1 41 . 1 1 4 4 LEU HD12 H 1 0.417 0.01 . 2 . . . . 4 LEU MD1 . 25400 1 42 . 1 1 4 4 LEU HD13 H 1 0.417 0.01 . 2 . . . . 4 LEU MD1 . 25400 1 43 . 1 1 4 4 LEU HD21 H 1 -0.04 0.017 . 2 . . . . 4 LEU MD2 . 25400 1 44 . 1 1 4 4 LEU HD22 H 1 -0.04 0.017 . 2 . . . . 4 LEU MD2 . 25400 1 45 . 1 1 4 4 LEU HD23 H 1 -0.04 0.017 . 2 . . . . 4 LEU MD2 . 25400 1 46 . 1 1 4 4 LEU C C 13 178.683 0.032 . 1 . . . . 4 LEU C . 25400 1 47 . 1 1 4 4 LEU CA C 13 56.542 0.036 . 1 . . . . 4 LEU CA . 25400 1 48 . 1 1 4 4 LEU CB C 13 41.592 0.04 . 1 . . . . 4 LEU CB . 25400 1 49 . 1 1 4 4 LEU CG C 13 28.057 0.09 . 1 . . . . 4 LEU CG . 25400 1 50 . 1 1 4 4 LEU CD1 C 13 24.631 0.124 . 2 . . . . 4 LEU CD1 . 25400 1 51 . 1 1 4 4 LEU CD2 C 13 24.19 0.266 . 2 . . . . 4 LEU CD2 . 25400 1 52 . 1 1 4 4 LEU N N 15 126.987 0.05 . 1 . . . . 4 LEU N . 25400 1 53 . 1 1 5 5 ALA H H 1 7.659 0.005 . 1 . . . . 5 ALA H . 25400 1 54 . 1 1 5 5 ALA HA H 1 3.782 0.009 . 1 . . . . 5 ALA HA . 25400 1 55 . 1 1 5 5 ALA HB1 H 1 1.161 0.01 . 1 . . . . 5 ALA MB . 25400 1 56 . 1 1 5 5 ALA HB2 H 1 1.161 0.01 . 1 . . . . 5 ALA MB . 25400 1 57 . 1 1 5 5 ALA HB3 H 1 1.161 0.01 . 1 . . . . 5 ALA MB . 25400 1 58 . 1 1 5 5 ALA C C 13 177.418 0.05 . 1 . . . . 5 ALA C . 25400 1 59 . 1 1 5 5 ALA CA C 13 52.418 0.066 . 1 . . . . 5 ALA CA . 25400 1 60 . 1 1 5 5 ALA CB C 13 19.419 0.084 . 1 . . . . 5 ALA CB . 25400 1 61 . 1 1 5 5 ALA N N 15 121.297 0.061 . 1 . . . . 5 ALA N . 25400 1 62 . 1 1 6 6 GLY H H 1 8.284 0.015 . 1 . . . . 6 GLY H . 25400 1 63 . 1 1 6 6 GLY HA2 H 1 3.708 0.023 . 2 . . . . 6 GLY HA2 . 25400 1 64 . 1 1 6 6 GLY HA3 H 1 3.93 0.017 . 2 . . . . 6 GLY HA3 . 25400 1 65 . 1 1 6 6 GLY C C 13 171.071 0.029 . 1 . . . . 6 GLY C . 25400 1 66 . 1 1 6 6 GLY CA C 13 44.873 0.066 . 1 . . . . 6 GLY CA . 25400 1 67 . 1 1 6 6 GLY N N 15 106.822 0.102 . 1 . . . . 6 GLY N . 25400 1 68 . 1 1 7 7 THR H H 1 8.139 0.011 . 1 . . . . 7 THR H . 25400 1 69 . 1 1 7 7 THR HA H 1 5.062 0.033 . 1 . . . . 7 THR HA . 25400 1 70 . 1 1 7 7 THR HB H 1 3.695 0.017 . 1 . . . . 7 THR HB . 25400 1 71 . 1 1 7 7 THR HG21 H 1 0.98 0.026 . 1 . . . . 7 THR MG . 25400 1 72 . 1 1 7 7 THR HG22 H 1 0.98 0.026 . 1 . . . . 7 THR MG . 25400 1 73 . 1 1 7 7 THR HG23 H 1 0.98 0.026 . 1 . . . . 7 THR MG . 25400 1 74 . 1 1 7 7 THR C C 13 173.725 0.024 . 1 . . . . 7 THR C . 25400 1 75 . 1 1 7 7 THR CA C 13 61.75 0.176 . 1 . . . . 7 THR CA . 25400 1 76 . 1 1 7 7 THR CB C 13 69.872 0.124 . 1 . . . . 7 THR CB . 25400 1 77 . 1 1 7 7 THR CG2 C 13 21.948 0.036 . 1 . . . . 7 THR CG2 . 25400 1 78 . 1 1 7 7 THR N N 15 115.246 0.052 . 1 . . . . 7 THR N . 25400 1 79 . 1 1 8 8 TYR H H 1 9.606 0.005 . 1 . . . . 8 TYR H . 25400 1 80 . 1 1 8 8 TYR HA H 1 5.474 0.011 . 1 . . . . 8 TYR HA . 25400 1 81 . 1 1 8 8 TYR HB2 H 1 2.706 0.016 . 2 . . . . 8 TYR HB2 . 25400 1 82 . 1 1 8 8 TYR HB3 H 1 2.706 0.016 . 2 . . . . 8 TYR HB3 . 25400 1 83 . 1 1 8 8 TYR HD1 H 1 6.675 0.025 . 3 . . . . 8 TYR HD1 . 25400 1 84 . 1 1 8 8 TYR HD2 H 1 6.675 0.025 . 3 . . . . 8 TYR HD2 . 25400 1 85 . 1 1 8 8 TYR C C 13 174.196 0.025 . 1 . . . . 8 TYR C . 25400 1 86 . 1 1 8 8 TYR CA C 13 55.833 0.051 . 1 . . . . 8 TYR CA . 25400 1 87 . 1 1 8 8 TYR CB C 13 43.778 0.111 . 1 . . . . 8 TYR CB . 25400 1 88 . 1 1 8 8 TYR N N 15 123.508 0.05 . 1 . . . . 8 TYR N . 25400 1 89 . 1 1 9 9 LYS H H 1 9.661 0.005 . 1 . . . . 9 LYS H . 25400 1 90 . 1 1 9 9 LYS HA H 1 5.192 0.012 . 1 . . . . 9 LYS HA . 25400 1 91 . 1 1 9 9 LYS HB2 H 1 1.578 0.009 . 2 . . . . 9 LYS HB2 . 25400 1 92 . 1 1 9 9 LYS HB3 H 1 1.578 0.009 . 2 . . . . 9 LYS HB3 . 25400 1 93 . 1 1 9 9 LYS HG2 H 1 1.248 0.012 . 2 . . . . 9 LYS HG2 . 25400 1 94 . 1 1 9 9 LYS HG3 H 1 1.177 0.01 . 2 . . . . 9 LYS HG3 . 25400 1 95 . 1 1 9 9 LYS C C 13 175.601 0.018 . 1 . . . . 9 LYS C . 25400 1 96 . 1 1 9 9 LYS CA C 13 54.484 0.141 . 1 . . . . 9 LYS CA . 25400 1 97 . 1 1 9 9 LYS CB C 13 36.097 0.083 . 1 . . . . 9 LYS CB . 25400 1 98 . 1 1 9 9 LYS CG C 13 24.841 0.209 . 1 . . . . 9 LYS CG . 25400 1 99 . 1 1 9 9 LYS CD C 13 29.513 0 . 1 . . . . 9 LYS CD . 25400 1 100 . 1 1 9 9 LYS CE C 13 41.901 0 . 1 . . . . 9 LYS CE . 25400 1 101 . 1 1 9 9 LYS N N 15 122.809 0.035 . 1 . . . . 9 LYS N . 25400 1 102 . 1 1 10 10 LEU H H 1 8.66 0.004 . 1 . . . . 10 LEU H . 25400 1 103 . 1 1 10 10 LEU HA H 1 2.858 0.016 . 1 . . . . 10 LEU HA . 25400 1 104 . 1 1 10 10 LEU HB2 H 1 0.769 0.029 . 2 . . . . 10 LEU HB2 . 25400 1 105 . 1 1 10 10 LEU HB3 H 1 1.324 0.012 . 2 . . . . 10 LEU HB3 . 25400 1 106 . 1 1 10 10 LEU HG H 1 0.643 0.009 . 1 . . . . 10 LEU HG . 25400 1 107 . 1 1 10 10 LEU HD11 H 1 -0.135 0.004 . 2 . . . . 10 LEU MD1 . 25400 1 108 . 1 1 10 10 LEU HD12 H 1 -0.135 0.004 . 2 . . . . 10 LEU MD1 . 25400 1 109 . 1 1 10 10 LEU HD13 H 1 -0.135 0.004 . 2 . . . . 10 LEU MD1 . 25400 1 110 . 1 1 10 10 LEU HD21 H 1 -0.122 0.006 . 2 . . . . 10 LEU MD2 . 25400 1 111 . 1 1 10 10 LEU HD22 H 1 -0.122 0.006 . 2 . . . . 10 LEU MD2 . 25400 1 112 . 1 1 10 10 LEU HD23 H 1 -0.122 0.006 . 2 . . . . 10 LEU MD2 . 25400 1 113 . 1 1 10 10 LEU C C 13 176.372 0.007 . 1 . . . . 10 LEU C . 25400 1 114 . 1 1 10 10 LEU CA C 13 56.058 0.086 . 1 . . . . 10 LEU CA . 25400 1 115 . 1 1 10 10 LEU CB C 13 43.762 0.055 . 1 . . . . 10 LEU CB . 25400 1 116 . 1 1 10 10 LEU CG C 13 27.308 0.137 . 1 . . . . 10 LEU CG . 25400 1 117 . 1 1 10 10 LEU CD1 C 13 22.331 0.122 . 2 . . . . 10 LEU CD1 . 25400 1 118 . 1 1 10 10 LEU CD2 C 13 22.56 0.004 . 2 . . . . 10 LEU CD2 . 25400 1 119 . 1 1 10 10 LEU N N 15 127.769 0.041 . 1 . . . . 10 LEU N . 25400 1 120 . 1 1 11 11 GLU H H 1 9.473 0.007 . 1 . . . . 11 GLU H . 25400 1 121 . 1 1 11 11 GLU HA H 1 4.253 0.007 . 1 . . . . 11 GLU HA . 25400 1 122 . 1 1 11 11 GLU HB2 H 1 1.661 0.014 . 2 . . . . 11 GLU HB2 . 25400 1 123 . 1 1 11 11 GLU HB3 H 1 1.661 0.014 . 2 . . . . 11 GLU HB3 . 25400 1 124 . 1 1 11 11 GLU HG2 H 1 1.964 0.008 . 2 . . . . 11 GLU HG2 . 25400 1 125 . 1 1 11 11 GLU HG3 H 1 1.964 0.008 . 2 . . . . 11 GLU HG3 . 25400 1 126 . 1 1 11 11 GLU C C 13 176 0.046 . 1 . . . . 11 GLU C . 25400 1 127 . 1 1 11 11 GLU CA C 13 57.236 0.127 . 1 . . . . 11 GLU CA . 25400 1 128 . 1 1 11 11 GLU CB C 13 31.58 0.068 . 1 . . . . 11 GLU CB . 25400 1 129 . 1 1 11 11 GLU CG C 13 36.24 0.01 . 1 . . . . 11 GLU CG . 25400 1 130 . 1 1 11 11 GLU N N 15 129.138 0.047 . 1 . . . . 11 GLU N . 25400 1 131 . 1 1 12 12 LYS H H 1 7.059 0.008 . 1 . . . . 12 LYS H . 25400 1 132 . 1 1 12 12 LYS HA H 1 4.355 0.009 . 1 . . . . 12 LYS HA . 25400 1 133 . 1 1 12 12 LYS HB2 H 1 1.628 0.021 . 2 . . . . 12 LYS HB2 . 25400 1 134 . 1 1 12 12 LYS HB3 H 1 1.628 0.021 . 2 . . . . 12 LYS HB3 . 25400 1 135 . 1 1 12 12 LYS HG2 H 1 0.971 0.016 . 2 . . . . 12 LYS HG2 . 25400 1 136 . 1 1 12 12 LYS HG3 H 1 0.9 0.014 . 2 . . . . 12 LYS HG3 . 25400 1 137 . 1 1 12 12 LYS HD2 H 1 1.166 0.001 . 2 . . . . 12 LYS HD2 . 25400 1 138 . 1 1 12 12 LYS HD3 H 1 1.248 0.027 . 2 . . . . 12 LYS HD3 . 25400 1 139 . 1 1 12 12 LYS HE2 H 1 2.176 0.011 . 2 . . . . 12 LYS HE2 . 25400 1 140 . 1 1 12 12 LYS HE3 H 1 2.176 0.011 . 2 . . . . 12 LYS HE3 . 25400 1 141 . 1 1 12 12 LYS C C 13 172.996 0.029 . 1 . . . . 12 LYS C . 25400 1 142 . 1 1 12 12 LYS CA C 13 56.064 0.1 . 1 . . . . 12 LYS CA . 25400 1 143 . 1 1 12 12 LYS CB C 13 35.118 0.062 . 1 . . . . 12 LYS CB . 25400 1 144 . 1 1 12 12 LYS CG C 13 24.081 0.111 . 1 . . . . 12 LYS CG . 25400 1 145 . 1 1 12 12 LYS CD C 13 29.213 0.083 . 1 . . . . 12 LYS CD . 25400 1 146 . 1 1 12 12 LYS CE C 13 41.499 0.076 . 1 . . . . 12 LYS CE . 25400 1 147 . 1 1 12 12 LYS N N 15 113.107 0.047 . 1 . . . . 12 LYS N . 25400 1 148 . 1 1 13 13 ASN H H 1 8.751 0.006 . 1 . . . . 13 ASN H . 25400 1 149 . 1 1 13 13 ASN HA H 1 5.216 0.015 . 1 . . . . 13 ASN HA . 25400 1 150 . 1 1 13 13 ASN HB2 H 1 2.555 0.018 . 2 . . . . 13 ASN HB2 . 25400 1 151 . 1 1 13 13 ASN HB3 H 1 2.804 0.011 . 2 . . . . 13 ASN HB3 . 25400 1 152 . 1 1 13 13 ASN HD21 H 1 7.901 0.005 . 2 . . . . 13 ASN HD21 . 25400 1 153 . 1 1 13 13 ASN HD22 H 1 6.949 0.008 . 2 . . . . 13 ASN HD22 . 25400 1 154 . 1 1 13 13 ASN C C 13 175.119 0.027 . 1 . . . . 13 ASN C . 25400 1 155 . 1 1 13 13 ASN CA C 13 52.287 0.159 . 1 . . . . 13 ASN CA . 25400 1 156 . 1 1 13 13 ASN CB C 13 42.926 0.158 . 1 . . . . 13 ASN CB . 25400 1 157 . 1 1 13 13 ASN N N 15 121.256 0.063 . 1 . . . . 13 ASN N . 25400 1 158 . 1 1 13 13 ASN ND2 N 15 115.795 0.044 . 1 . . . . 13 ASN ND2 . 25400 1 159 . 1 1 14 14 GLU H H 1 9.321 0.008 . 1 . . . . 14 GLU H . 25400 1 160 . 1 1 14 14 GLU HA H 1 4.557 0.007 . 1 . . . . 14 GLU HA . 25400 1 161 . 1 1 14 14 GLU HB2 H 1 1.841 0.015 . 2 . . . . 14 GLU HB2 . 25400 1 162 . 1 1 14 14 GLU HB3 H 1 2.025 0.02 . 2 . . . . 14 GLU HB3 . 25400 1 163 . 1 1 14 14 GLU C C 13 175.154 0.05 . 1 . . . . 14 GLU C . 25400 1 164 . 1 1 14 14 GLU CA C 13 55.611 0.043 . 1 . . . . 14 GLU CA . 25400 1 165 . 1 1 14 14 GLU CB C 13 32.884 0.046 . 1 . . . . 14 GLU CB . 25400 1 166 . 1 1 14 14 GLU CG C 13 36.336 0 . 1 . . . . 14 GLU CG . 25400 1 167 . 1 1 14 14 GLU N N 15 121.22 0.05 . 1 . . . . 14 GLU N . 25400 1 168 . 1 1 15 15 ASN H H 1 9.307 0.006 . 1 . . . . 15 ASN H . 25400 1 169 . 1 1 15 15 ASN HA H 1 4.741 0.019 . 1 . . . . 15 ASN HA . 25400 1 170 . 1 1 15 15 ASN HB2 H 1 2.789 0.015 . 2 . . . . 15 ASN HB2 . 25400 1 171 . 1 1 15 15 ASN HB3 H 1 3.435 0.014 . 2 . . . . 15 ASN HB3 . 25400 1 172 . 1 1 15 15 ASN HD21 H 1 7.703 0.01 . 2 . . . . 15 ASN HD21 . 25400 1 173 . 1 1 15 15 ASN HD22 H 1 6.627 0.006 . 2 . . . . 15 ASN HD22 . 25400 1 174 . 1 1 15 15 ASN C C 13 175.213 0.014 . 1 . . . . 15 ASN C . 25400 1 175 . 1 1 15 15 ASN CA C 13 54.388 0.048 . 1 . . . . 15 ASN CA . 25400 1 176 . 1 1 15 15 ASN CB C 13 39.063 0.109 . 1 . . . . 15 ASN CB . 25400 1 177 . 1 1 15 15 ASN N N 15 122.209 0.043 . 1 . . . . 15 ASN N . 25400 1 178 . 1 1 15 15 ASN ND2 N 15 111.315 0.073 . 1 . . . . 15 ASN ND2 . 25400 1 179 . 1 1 16 16 PHE H H 1 7.969 0.009 . 1 . . . . 16 PHE H . 25400 1 180 . 1 1 16 16 PHE HA H 1 4.427 0.013 . 1 . . . . 16 PHE HA . 25400 1 181 . 1 1 16 16 PHE HB2 H 1 2.687 0.011 . 2 . . . . 16 PHE HB2 . 25400 1 182 . 1 1 16 16 PHE HB3 H 1 3.184 0.01 . 2 . . . . 16 PHE HB3 . 25400 1 183 . 1 1 16 16 PHE C C 13 176.939 0.026 . 1 . . . . 16 PHE C . 25400 1 184 . 1 1 16 16 PHE CA C 13 57.96 0.103 . 1 . . . . 16 PHE CA . 25400 1 185 . 1 1 16 16 PHE CB C 13 40.159 0.065 . 1 . . . . 16 PHE CB . 25400 1 186 . 1 1 16 16 PHE N N 15 119.741 0.045 . 1 . . . . 16 PHE N . 25400 1 187 . 1 1 17 17 GLU H H 1 8.499 0.012 . 1 . . . . 17 GLU H . 25400 1 188 . 1 1 17 17 GLU HA H 1 3.335 0.01 . 1 . . . . 17 GLU HA . 25400 1 189 . 1 1 17 17 GLU HB2 H 1 1.789 0.011 . 2 . . . . 17 GLU HB2 . 25400 1 190 . 1 1 17 17 GLU HB3 H 1 1.789 0.011 . 2 . . . . 17 GLU HB3 . 25400 1 191 . 1 1 17 17 GLU HG2 H 1 2.065 0.006 . 2 . . . . 17 GLU HG2 . 25400 1 192 . 1 1 17 17 GLU HG3 H 1 2.065 0.006 . 2 . . . . 17 GLU HG3 . 25400 1 193 . 1 1 17 17 GLU C C 13 178.153 0.028 . 1 . . . . 17 GLU C . 25400 1 194 . 1 1 17 17 GLU CA C 13 60.363 0.055 . 1 . . . . 17 GLU CA . 25400 1 195 . 1 1 17 17 GLU CB C 13 29.079 0.044 . 1 . . . . 17 GLU CB . 25400 1 196 . 1 1 17 17 GLU CG C 13 36.619 0.051 . 1 . . . . 17 GLU CG . 25400 1 197 . 1 1 17 17 GLU N N 15 119.331 0.049 . 1 . . . . 17 GLU N . 25400 1 198 . 1 1 18 18 GLU H H 1 9.495 0.008 . 1 . . . . 18 GLU H . 25400 1 199 . 1 1 18 18 GLU HA H 1 3.674 0.007 . 1 . . . . 18 GLU HA . 25400 1 200 . 1 1 18 18 GLU HB2 H 1 1.877 0.015 . 2 . . . . 18 GLU HB2 . 25400 1 201 . 1 1 18 18 GLU HB3 H 1 1.638 0.01 . 2 . . . . 18 GLU HB3 . 25400 1 202 . 1 1 18 18 GLU HG2 H 1 2.104 0.006 . 2 . . . . 18 GLU HG2 . 25400 1 203 . 1 1 18 18 GLU HG3 H 1 2.429 0.007 . 2 . . . . 18 GLU HG3 . 25400 1 204 . 1 1 18 18 GLU C C 13 179.411 0.034 . 1 . . . . 18 GLU C . 25400 1 205 . 1 1 18 18 GLU CA C 13 60.478 0.051 . 1 . . . . 18 GLU CA . 25400 1 206 . 1 1 18 18 GLU CB C 13 28.123 0.061 . 1 . . . . 18 GLU CB . 25400 1 207 . 1 1 18 18 GLU CG C 13 37.468 0.127 . 1 . . . . 18 GLU CG . 25400 1 208 . 1 1 18 18 GLU N N 15 119.901 0.037 . 1 . . . . 18 GLU N . 25400 1 209 . 1 1 19 19 TYR H H 1 7.639 0.009 . 1 . . . . 19 TYR H . 25400 1 210 . 1 1 19 19 TYR HA H 1 3.845 0.012 . 1 . . . . 19 TYR HA . 25400 1 211 . 1 1 19 19 TYR HB2 H 1 2.985 0.01 . 2 . . . . 19 TYR HB2 . 25400 1 212 . 1 1 19 19 TYR HB3 H 1 3.145 0.011 . 2 . . . . 19 TYR HB3 . 25400 1 213 . 1 1 19 19 TYR HD1 H 1 6.616 0.026 . 3 . . . . 19 TYR HD1 . 25400 1 214 . 1 1 19 19 TYR HD2 H 1 6.616 0.026 . 3 . . . . 19 TYR HD2 . 25400 1 215 . 1 1 19 19 TYR HE1 H 1 6.499 0 . 3 . . . . 19 TYR HE1 . 25400 1 216 . 1 1 19 19 TYR HE2 H 1 6.499 0 . 3 . . . . 19 TYR HE2 . 25400 1 217 . 1 1 19 19 TYR C C 13 176.659 0.023 . 1 . . . . 19 TYR C . 25400 1 218 . 1 1 19 19 TYR CA C 13 61.624 0.116 . 1 . . . . 19 TYR CA . 25400 1 219 . 1 1 19 19 TYR CB C 13 39.936 0.068 . 1 . . . . 19 TYR CB . 25400 1 220 . 1 1 19 19 TYR N N 15 121.872 0.055 . 1 . . . . 19 TYR N . 25400 1 221 . 1 1 20 20 LEU H H 1 7.894 0.006 . 1 . . . . 20 LEU H . 25400 1 222 . 1 1 20 20 LEU HA H 1 3.565 0.016 . 1 . . . . 20 LEU HA . 25400 1 223 . 1 1 20 20 LEU HB2 H 1 1.511 0.012 . 2 . . . . 20 LEU HB2 . 25400 1 224 . 1 1 20 20 LEU HB3 H 1 0.677 0.022 . 2 . . . . 20 LEU HB3 . 25400 1 225 . 1 1 20 20 LEU HG H 1 0.5 0.007 . 1 . . . . 20 LEU HG . 25400 1 226 . 1 1 20 20 LEU HD11 H 1 -0.175 0.009 . 2 . . . . 20 LEU MD1 . 25400 1 227 . 1 1 20 20 LEU HD12 H 1 -0.175 0.009 . 2 . . . . 20 LEU MD1 . 25400 1 228 . 1 1 20 20 LEU HD13 H 1 -0.175 0.009 . 2 . . . . 20 LEU MD1 . 25400 1 229 . 1 1 20 20 LEU HD21 H 1 1.209 0.023 . 2 . . . . 20 LEU MD2 . 25400 1 230 . 1 1 20 20 LEU HD22 H 1 1.209 0.023 . 2 . . . . 20 LEU MD2 . 25400 1 231 . 1 1 20 20 LEU HD23 H 1 1.209 0.023 . 2 . . . . 20 LEU MD2 . 25400 1 232 . 1 1 20 20 LEU C C 13 179.547 0.036 . 1 . . . . 20 LEU C . 25400 1 233 . 1 1 20 20 LEU CA C 13 57.235 0.118 . 1 . . . . 20 LEU CA . 25400 1 234 . 1 1 20 20 LEU CB C 13 41.877 0.057 . 1 . . . . 20 LEU CB . 25400 1 235 . 1 1 20 20 LEU CG C 13 21.807 0.102 . 1 . . . . 20 LEU CG . 25400 1 236 . 1 1 20 20 LEU CD1 C 13 26.38 0.086 . 2 . . . . 20 LEU CD1 . 25400 1 237 . 1 1 20 20 LEU CD2 C 13 26.327 0.117 . 2 . . . . 20 LEU CD2 . 25400 1 238 . 1 1 20 20 LEU N N 15 116.913 0.04 . 1 . . . . 20 LEU N . 25400 1 239 . 1 1 21 21 ALA H H 1 8.368 0.005 . 1 . . . . 21 ALA H . 25400 1 240 . 1 1 21 21 ALA HA H 1 3.836 0.007 . 1 . . . . 21 ALA HA . 25400 1 241 . 1 1 21 21 ALA HB1 H 1 1.235 0.008 . 1 . . . . 21 ALA MB . 25400 1 242 . 1 1 21 21 ALA HB2 H 1 1.235 0.008 . 1 . . . . 21 ALA MB . 25400 1 243 . 1 1 21 21 ALA HB3 H 1 1.235 0.008 . 1 . . . . 21 ALA MB . 25400 1 244 . 1 1 21 21 ALA C C 13 181.961 0.027 . 1 . . . . 21 ALA C . 25400 1 245 . 1 1 21 21 ALA CA C 13 55.259 0.083 . 1 . . . . 21 ALA CA . 25400 1 246 . 1 1 21 21 ALA CB C 13 17.428 0.074 . 1 . . . . 21 ALA CB . 25400 1 247 . 1 1 21 21 ALA N N 15 122.565 0.044 . 1 . . . . 21 ALA N . 25400 1 248 . 1 1 22 22 ALA H H 1 7.622 0.008 . 1 . . . . 22 ALA H . 25400 1 249 . 1 1 22 22 ALA HA H 1 3.946 0.011 . 1 . . . . 22 ALA HA . 25400 1 250 . 1 1 22 22 ALA HB1 H 1 1.284 0.013 . 1 . . . . 22 ALA MB . 25400 1 251 . 1 1 22 22 ALA HB2 H 1 1.284 0.013 . 1 . . . . 22 ALA MB . 25400 1 252 . 1 1 22 22 ALA HB3 H 1 1.284 0.013 . 1 . . . . 22 ALA MB . 25400 1 253 . 1 1 22 22 ALA C C 13 179.064 0.036 . 1 . . . . 22 ALA C . 25400 1 254 . 1 1 22 22 ALA CA C 13 54.209 0.07 . 1 . . . . 22 ALA CA . 25400 1 255 . 1 1 22 22 ALA CB C 13 17.967 0.131 . 1 . . . . 22 ALA CB . 25400 1 256 . 1 1 22 22 ALA N N 15 121.692 0.038 . 1 . . . . 22 ALA N . 25400 1 257 . 1 1 23 23 LEU H H 1 6.97 0.008 . 1 . . . . 23 LEU H . 25400 1 258 . 1 1 23 23 LEU HA H 1 3.936 0.015 . 1 . . . . 23 LEU HA . 25400 1 259 . 1 1 23 23 LEU HB2 H 1 1.336 0.012 . 2 . . . . 23 LEU HB2 . 25400 1 260 . 1 1 23 23 LEU HB3 H 1 1.549 0.009 . 2 . . . . 23 LEU HB3 . 25400 1 261 . 1 1 23 23 LEU HG H 1 1.32 0.012 . 1 . . . . 23 LEU HG . 25400 1 262 . 1 1 23 23 LEU HD11 H 1 0.37 0.008 . 2 . . . . 23 LEU MD1 . 25400 1 263 . 1 1 23 23 LEU HD12 H 1 0.37 0.008 . 2 . . . . 23 LEU MD1 . 25400 1 264 . 1 1 23 23 LEU HD13 H 1 0.37 0.008 . 2 . . . . 23 LEU MD1 . 25400 1 265 . 1 1 23 23 LEU HD21 H 1 0.351 0.007 . 2 . . . . 23 LEU MD2 . 25400 1 266 . 1 1 23 23 LEU HD22 H 1 0.351 0.007 . 2 . . . . 23 LEU MD2 . 25400 1 267 . 1 1 23 23 LEU HD23 H 1 0.351 0.007 . 2 . . . . 23 LEU MD2 . 25400 1 268 . 1 1 23 23 LEU C C 13 176.987 0.024 . 1 . . . . 23 LEU C . 25400 1 269 . 1 1 23 23 LEU CA C 13 54.684 0.128 . 1 . . . . 23 LEU CA . 25400 1 270 . 1 1 23 23 LEU CB C 13 42.469 0.051 . 1 . . . . 23 LEU CB . 25400 1 271 . 1 1 23 23 LEU CG C 13 25.814 0.277 . 1 . . . . 23 LEU CG . 25400 1 272 . 1 1 23 23 LEU CD1 C 13 22.334 0.058 . 2 . . . . 23 LEU CD1 . 25400 1 273 . 1 1 23 23 LEU CD2 C 13 22.193 0.108 . 2 . . . . 23 LEU CD2 . 25400 1 274 . 1 1 23 23 LEU N N 15 116.313 0.089 . 1 . . . . 23 LEU N . 25400 1 275 . 1 1 24 24 GLY H H 1 7.623 0.006 . 1 . . . . 24 GLY H . 25400 1 276 . 1 1 24 24 GLY HA2 H 1 3.487 0.007 . 2 . . . . 24 GLY HA2 . 25400 1 277 . 1 1 24 24 GLY HA3 H 1 3.946 0.012 . 2 . . . . 24 GLY HA3 . 25400 1 278 . 1 1 24 24 GLY C C 13 174.446 0.031 . 1 . . . . 24 GLY C . 25400 1 279 . 1 1 24 24 GLY CA C 13 45.121 0.069 . 1 . . . . 24 GLY CA . 25400 1 280 . 1 1 24 24 GLY N N 15 106.716 0.031 . 1 . . . . 24 GLY N . 25400 1 281 . 1 1 25 25 VAL H H 1 7.114 0.004 . 1 . . . . 25 VAL H . 25400 1 282 . 1 1 25 25 VAL HA H 1 4.037 0.017 . 1 . . . . 25 VAL HA . 25400 1 283 . 1 1 25 25 VAL HB H 1 1.356 0.011 . 1 . . . . 25 VAL HB . 25400 1 284 . 1 1 25 25 VAL HG11 H 1 0.791 0.009 . 2 . . . . 25 VAL MG1 . 25400 1 285 . 1 1 25 25 VAL HG12 H 1 0.791 0.009 . 2 . . . . 25 VAL MG1 . 25400 1 286 . 1 1 25 25 VAL HG13 H 1 0.791 0.009 . 2 . . . . 25 VAL MG1 . 25400 1 287 . 1 1 25 25 VAL HG21 H 1 0.569 0.018 . 2 . . . . 25 VAL MG2 . 25400 1 288 . 1 1 25 25 VAL HG22 H 1 0.569 0.018 . 2 . . . . 25 VAL MG2 . 25400 1 289 . 1 1 25 25 VAL HG23 H 1 0.569 0.018 . 2 . . . . 25 VAL MG2 . 25400 1 290 . 1 1 25 25 VAL C C 13 173.682 0 . 1 . . . . 25 VAL C . 25400 1 291 . 1 1 25 25 VAL CA C 13 60.51 0.07 . 1 . . . . 25 VAL CA . 25400 1 292 . 1 1 25 25 VAL CB C 13 32.161 0.073 . 1 . . . . 25 VAL CB . 25400 1 293 . 1 1 25 25 VAL CG1 C 13 22.46 0.009 . 2 . . . . 25 VAL CG1 . 25400 1 294 . 1 1 25 25 VAL N N 15 123.361 0.034 . 1 . . . . 25 VAL N . 25400 1 295 . 1 1 26 26 PRO HA H 1 4.276 0.008 . 1 . . . . 26 PRO HA . 25400 1 296 . 1 1 26 26 PRO HB2 H 1 1.899 0.017 . 2 . . . . 26 PRO HB2 . 25400 1 297 . 1 1 26 26 PRO HB3 H 1 2.297 0.015 . 2 . . . . 26 PRO HB3 . 25400 1 298 . 1 1 26 26 PRO HG2 H 1 1.907 0.006 . 2 . . . . 26 PRO HG2 . 25400 1 299 . 1 1 26 26 PRO HG3 H 1 1.907 0.006 . 2 . . . . 26 PRO HG3 . 25400 1 300 . 1 1 26 26 PRO HD2 H 1 3.891 0.01 . 2 . . . . 26 PRO HD2 . 25400 1 301 . 1 1 26 26 PRO HD3 H 1 3.4 0.004 . 2 . . . . 26 PRO HD3 . 25400 1 302 . 1 1 26 26 PRO C C 13 178.308 0 . 1 . . . . 26 PRO C . 25400 1 303 . 1 1 26 26 PRO CA C 13 62.762 0.073 . 1 . . . . 26 PRO CA . 25400 1 304 . 1 1 26 26 PRO CB C 13 32.66 0.099 . 1 . . . . 26 PRO CB . 25400 1 305 . 1 1 26 26 PRO CG C 13 27.855 0.166 . 1 . . . . 26 PRO CG . 25400 1 306 . 1 1 26 26 PRO CD C 13 51.165 0.075 . 1 . . . . 26 PRO CD . 25400 1 307 . 1 1 27 27 GLN H H 1 8.71 0.004 . 1 . . . . 27 GLN H . 25400 1 308 . 1 1 27 27 GLN HA H 1 3.637 0.01 . 1 . . . . 27 GLN HA . 25400 1 309 . 1 1 27 27 GLN HB2 H 1 1.982 0.011 . 2 . . . . 27 GLN HB2 . 25400 1 310 . 1 1 27 27 GLN HB3 H 1 1.932 0.015 . 2 . . . . 27 GLN HB3 . 25400 1 311 . 1 1 27 27 GLN HG2 H 1 2.278 0.006 . 2 . . . . 27 GLN HG2 . 25400 1 312 . 1 1 27 27 GLN HG3 H 1 2.278 0.006 . 2 . . . . 27 GLN HG3 . 25400 1 313 . 1 1 27 27 GLN HE21 H 1 7.448 0.005 . 2 . . . . 27 GLN HE21 . 25400 1 314 . 1 1 27 27 GLN HE22 H 1 6.746 0.005 . 2 . . . . 27 GLN HE22 . 25400 1 315 . 1 1 27 27 GLN C C 13 177.849 0.031 . 1 . . . . 27 GLN C . 25400 1 316 . 1 1 27 27 GLN CA C 13 59.778 0.088 . 1 . . . . 27 GLN CA . 25400 1 317 . 1 1 27 27 GLN CB C 13 28.423 0.173 . 1 . . . . 27 GLN CB . 25400 1 318 . 1 1 27 27 GLN CG C 13 33.566 0.068 . 1 . . . . 27 GLN CG . 25400 1 319 . 1 1 27 27 GLN N N 15 122.007 0.027 . 1 . . . . 27 GLN N . 25400 1 320 . 1 1 27 27 GLN NE2 N 15 111.846 0.31 . 1 . . . . 27 GLN NE2 . 25400 1 321 . 1 1 28 28 ASP H H 1 8.956 0.005 . 1 . . . . 28 ASP H . 25400 1 322 . 1 1 28 28 ASP HA H 1 4.196 0.006 . 1 . . . . 28 ASP HA . 25400 1 323 . 1 1 28 28 ASP HB2 H 1 2.494 0.006 . 2 . . . . 28 ASP HB2 . 25400 1 324 . 1 1 28 28 ASP HB3 H 1 2.494 0.006 . 2 . . . . 28 ASP HB3 . 25400 1 325 . 1 1 28 28 ASP C C 13 179.106 0.027 . 1 . . . . 28 ASP C . 25400 1 326 . 1 1 28 28 ASP CA C 13 57.329 0.058 . 1 . . . . 28 ASP CA . 25400 1 327 . 1 1 28 28 ASP CB C 13 39.615 0.037 . 1 . . . . 28 ASP CB . 25400 1 328 . 1 1 28 28 ASP N N 15 117.427 0.03 . 1 . . . . 28 ASP N . 25400 1 329 . 1 1 29 29 SER H H 1 7.197 0.006 . 1 . . . . 29 SER H . 25400 1 330 . 1 1 29 29 SER HA H 1 4.189 0.007 . 1 . . . . 29 SER HA . 25400 1 331 . 1 1 29 29 SER HB2 H 1 3.758 0.023 . 2 . . . . 29 SER HB2 . 25400 1 332 . 1 1 29 29 SER HB3 H 1 3.836 0.013 . 2 . . . . 29 SER HB3 . 25400 1 333 . 1 1 29 29 SER C C 13 175.99 0.041 . 1 . . . . 29 SER C . 25400 1 334 . 1 1 29 29 SER CA C 13 61.579 0.114 . 1 . . . . 29 SER CA . 25400 1 335 . 1 1 29 29 SER CB C 13 62.818 0.105 . 1 . . . . 29 SER CB . 25400 1 336 . 1 1 29 29 SER N N 15 116.407 0.029 . 1 . . . . 29 SER N . 25400 1 337 . 1 1 30 30 ILE H H 1 7.956 0.006 . 1 . . . . 30 ILE H . 25400 1 338 . 1 1 30 30 ILE HA H 1 2.976 0.012 . 1 . . . . 30 ILE HA . 25400 1 339 . 1 1 30 30 ILE HB H 1 1.767 0.013 . 1 . . . . 30 ILE HB . 25400 1 340 . 1 1 30 30 ILE HG12 H 1 0.236 0.011 . 2 . . . . 30 ILE HG12 . 25400 1 341 . 1 1 30 30 ILE HG13 H 1 1.448 0.014 . 2 . . . . 30 ILE HG13 . 25400 1 342 . 1 1 30 30 ILE HG21 H 1 0.607 0.013 . 1 . . . . 30 ILE MG . 25400 1 343 . 1 1 30 30 ILE HG22 H 1 0.607 0.013 . 1 . . . . 30 ILE MG . 25400 1 344 . 1 1 30 30 ILE HG23 H 1 0.607 0.013 . 1 . . . . 30 ILE MG . 25400 1 345 . 1 1 30 30 ILE HD11 H 1 0.567 0.014 . 1 . . . . 30 ILE MD . 25400 1 346 . 1 1 30 30 ILE HD12 H 1 0.567 0.014 . 1 . . . . 30 ILE MD . 25400 1 347 . 1 1 30 30 ILE HD13 H 1 0.567 0.014 . 1 . . . . 30 ILE MD . 25400 1 348 . 1 1 30 30 ILE C C 13 177.35 0.039 . 1 . . . . 30 ILE C . 25400 1 349 . 1 1 30 30 ILE CA C 13 66.659 0.082 . 1 . . . . 30 ILE CA . 25400 1 350 . 1 1 30 30 ILE CB C 13 37.235 0.109 . 1 . . . . 30 ILE CB . 25400 1 351 . 1 1 30 30 ILE CG1 C 13 28.977 0.146 . 1 . . . . 30 ILE CG1 . 25400 1 352 . 1 1 30 30 ILE CG2 C 13 17.642 0.179 . 1 . . . . 30 ILE CG2 . 25400 1 353 . 1 1 30 30 ILE CD1 C 13 12.934 0.02 . 1 . . . . 30 ILE CD1 . 25400 1 354 . 1 1 30 30 ILE N N 15 123.855 0.042 . 1 . . . . 30 ILE N . 25400 1 355 . 1 1 31 31 LYS H H 1 7.733 0.008 . 1 . . . . 31 LYS H . 25400 1 356 . 1 1 31 31 LYS HA H 1 3.808 0.01 . 1 . . . . 31 LYS HA . 25400 1 357 . 1 1 31 31 LYS HB2 H 1 1.72 0.007 . 2 . . . . 31 LYS HB2 . 25400 1 358 . 1 1 31 31 LYS HB3 H 1 1.72 0.007 . 2 . . . . 31 LYS HB3 . 25400 1 359 . 1 1 31 31 LYS HG2 H 1 1.276 0.012 . 2 . . . . 31 LYS HG2 . 25400 1 360 . 1 1 31 31 LYS HG3 H 1 1.39 0.009 . 2 . . . . 31 LYS HG3 . 25400 1 361 . 1 1 31 31 LYS HD2 H 1 1.524 0.016 . 2 . . . . 31 LYS HD2 . 25400 1 362 . 1 1 31 31 LYS HD3 H 1 1.524 0.016 . 2 . . . . 31 LYS HD3 . 25400 1 363 . 1 1 31 31 LYS HE2 H 1 2.805 0.01 . 2 . . . . 31 LYS HE2 . 25400 1 364 . 1 1 31 31 LYS HE3 H 1 2.805 0.01 . 2 . . . . 31 LYS HE3 . 25400 1 365 . 1 1 31 31 LYS C C 13 179.626 0.066 . 1 . . . . 31 LYS C . 25400 1 366 . 1 1 31 31 LYS CA C 13 59.202 0.062 . 1 . . . . 31 LYS CA . 25400 1 367 . 1 1 31 31 LYS CB C 13 31.914 0.086 . 1 . . . . 31 LYS CB . 25400 1 368 . 1 1 31 31 LYS CG C 13 24.752 0.043 . 1 . . . . 31 LYS CG . 25400 1 369 . 1 1 31 31 LYS CD C 13 29.091 0.146 . 1 . . . . 31 LYS CD . 25400 1 370 . 1 1 31 31 LYS CE C 13 42.019 0.079 . 1 . . . . 31 LYS CE . 25400 1 371 . 1 1 31 31 LYS N N 15 117.762 0.032 . 1 . . . . 31 LYS N . 25400 1 372 . 1 1 32 32 LYS H H 1 6.992 0.007 . 1 . . . . 32 LYS H . 25400 1 373 . 1 1 32 32 LYS HA H 1 3.898 0.008 . 1 . . . . 32 LYS HA . 25400 1 374 . 1 1 32 32 LYS HB2 H 1 1.764 0.009 . 2 . . . . 32 LYS HB2 . 25400 1 375 . 1 1 32 32 LYS HB3 H 1 1.764 0.009 . 2 . . . . 32 LYS HB3 . 25400 1 376 . 1 1 32 32 LYS HG2 H 1 1.456 0.008 . 2 . . . . 32 LYS HG2 . 25400 1 377 . 1 1 32 32 LYS HG3 H 1 1.312 0.007 . 2 . . . . 32 LYS HG3 . 25400 1 378 . 1 1 32 32 LYS HD2 H 1 1.628 0.012 . 2 . . . . 32 LYS HD2 . 25400 1 379 . 1 1 32 32 LYS HD3 H 1 1.628 0.012 . 2 . . . . 32 LYS HD3 . 25400 1 380 . 1 1 32 32 LYS HE2 H 1 2.794 0.292 . 2 . . . . 32 LYS HE2 . 25400 1 381 . 1 1 32 32 LYS HE3 H 1 2.794 0.292 . 2 . . . . 32 LYS HE3 . 25400 1 382 . 1 1 32 32 LYS C C 13 179.639 0.058 . 1 . . . . 32 LYS C . 25400 1 383 . 1 1 32 32 LYS CA C 13 59.096 0.062 . 1 . . . . 32 LYS CA . 25400 1 384 . 1 1 32 32 LYS CB C 13 32.579 0.094 . 1 . . . . 32 LYS CB . 25400 1 385 . 1 1 32 32 LYS CG C 13 25.045 0.116 . 1 . . . . 32 LYS CG . 25400 1 386 . 1 1 32 32 LYS CD C 13 29.108 0.108 . 1 . . . . 32 LYS CD . 25400 1 387 . 1 1 32 32 LYS CE C 13 41.699 0.375 . 1 . . . . 32 LYS CE . 25400 1 388 . 1 1 32 32 LYS N N 15 117.105 0.059 . 1 . . . . 32 LYS N . 25400 1 389 . 1 1 33 33 ALA H H 1 8.14 0.008 . 1 . . . . 33 ALA H . 25400 1 390 . 1 1 33 33 ALA HA H 1 3.95 0.012 . 1 . . . . 33 ALA HA . 25400 1 391 . 1 1 33 33 ALA HB1 H 1 1.098 0.012 . 1 . . . . 33 ALA MB . 25400 1 392 . 1 1 33 33 ALA HB2 H 1 1.098 0.012 . 1 . . . . 33 ALA MB . 25400 1 393 . 1 1 33 33 ALA HB3 H 1 1.098 0.012 . 1 . . . . 33 ALA MB . 25400 1 394 . 1 1 33 33 ALA C C 13 178.155 0.051 . 1 . . . . 33 ALA C . 25400 1 395 . 1 1 33 33 ALA CA C 13 54.358 0.065 . 1 . . . . 33 ALA CA . 25400 1 396 . 1 1 33 33 ALA CB C 13 18.325 0.089 . 1 . . . . 33 ALA CB . 25400 1 397 . 1 1 33 33 ALA N N 15 121.211 0.067 . 1 . . . . 33 ALA N . 25400 1 398 . 1 1 34 34 ASN H H 1 8.081 0.006 . 1 . . . . 34 ASN H . 25400 1 399 . 1 1 34 34 ASN HA H 1 4.634 0.009 . 1 . . . . 34 ASN HA . 25400 1 400 . 1 1 34 34 ASN HB2 H 1 2.668 0.015 . 2 . . . . 34 ASN HB2 . 25400 1 401 . 1 1 34 34 ASN HB3 H 1 2.139 0.01 . 2 . . . . 34 ASN HB3 . 25400 1 402 . 1 1 34 34 ASN HD21 H 1 7.5 0.006 . 2 . . . . 34 ASN HD21 . 25400 1 403 . 1 1 34 34 ASN HD22 H 1 6.184 0.008 . 2 . . . . 34 ASN HD22 . 25400 1 404 . 1 1 34 34 ASN C C 13 173.575 0.047 . 1 . . . . 34 ASN C . 25400 1 405 . 1 1 34 34 ASN CA C 13 53.332 0.053 . 1 . . . . 34 ASN CA . 25400 1 406 . 1 1 34 34 ASN CB C 13 40.004 0.063 . 1 . . . . 34 ASN CB . 25400 1 407 . 1 1 34 34 ASN N N 15 115.008 0.061 . 1 . . . . 34 ASN N . 25400 1 408 . 1 1 34 34 ASN ND2 N 15 112.158 0.057 . 1 . . . . 34 ASN ND2 . 25400 1 409 . 1 1 35 35 SER H H 1 6.89 0.007 . 1 . . . . 35 SER H . 25400 1 410 . 1 1 35 35 SER HA H 1 4.404 0.01 . 1 . . . . 35 SER HA . 25400 1 411 . 1 1 35 35 SER HB2 H 1 3.761 0.006 . 2 . . . . 35 SER HB2 . 25400 1 412 . 1 1 35 35 SER HB3 H 1 3.761 0.006 . 2 . . . . 35 SER HB3 . 25400 1 413 . 1 1 35 35 SER C C 13 171.724 0 . 1 . . . . 35 SER C . 25400 1 414 . 1 1 35 35 SER CA C 13 57.941 0.078 . 1 . . . . 35 SER CA . 25400 1 415 . 1 1 35 35 SER CB C 13 63.616 0.073 . 1 . . . . 35 SER CB . 25400 1 416 . 1 1 35 35 SER N N 15 114.969 0.038 . 1 . . . . 35 SER N . 25400 1 417 . 1 1 36 36 PRO HA H 1 4.306 0.005 . 1 . . . . 36 PRO HA . 25400 1 418 . 1 1 36 36 PRO HB2 H 1 2.144 0.009 . 2 . . . . 36 PRO HB2 . 25400 1 419 . 1 1 36 36 PRO HB3 H 1 1.78 0.015 . 2 . . . . 36 PRO HB3 . 25400 1 420 . 1 1 36 36 PRO HG2 H 1 1.881 0.009 . 2 . . . . 36 PRO HG2 . 25400 1 421 . 1 1 36 36 PRO HG3 H 1 1.881 0.009 . 2 . . . . 36 PRO HG3 . 25400 1 422 . 1 1 36 36 PRO HD2 H 1 3.61 0.003 . 2 . . . . 36 PRO HD2 . 25400 1 423 . 1 1 36 36 PRO HD3 H 1 3.718 0.001 . 2 . . . . 36 PRO HD3 . 25400 1 424 . 1 1 36 36 PRO C C 13 178.755 0.041 . 1 . . . . 36 PRO C . 25400 1 425 . 1 1 36 36 PRO CA C 13 62.764 0.07 . 1 . . . . 36 PRO CA . 25400 1 426 . 1 1 36 36 PRO CB C 13 32.059 0.091 . 1 . . . . 36 PRO CB . 25400 1 427 . 1 1 36 36 PRO CG C 13 27.127 0.061 . 1 . . . . 36 PRO CG . 25400 1 428 . 1 1 36 36 PRO CD C 13 50.444 0.136 . 1 . . . . 36 PRO CD . 25400 1 429 . 1 1 37 37 GLY H H 1 8.756 0.005 . 1 . . . . 37 GLY H . 25400 1 430 . 1 1 37 37 GLY HA2 H 1 3.584 0.01 . 2 . . . . 37 GLY HA2 . 25400 1 431 . 1 1 37 37 GLY HA3 H 1 3.772 0.01 . 2 . . . . 37 GLY HA3 . 25400 1 432 . 1 1 37 37 GLY C C 13 173.612 0.022 . 1 . . . . 37 GLY C . 25400 1 433 . 1 1 37 37 GLY CA C 13 46.352 0.055 . 1 . . . . 37 GLY CA . 25400 1 434 . 1 1 37 37 GLY N N 15 106.511 0.042 . 1 . . . . 37 GLY N . 25400 1 435 . 1 1 38 38 VAL H H 1 6.259 0.006 . 1 . . . . 38 VAL H . 25400 1 436 . 1 1 38 38 VAL HA H 1 3.533 0.011 . 1 . . . . 38 VAL HA . 25400 1 437 . 1 1 38 38 VAL HB H 1 1.761 0.012 . 1 . . . . 38 VAL HB . 25400 1 438 . 1 1 38 38 VAL HG11 H 1 1.167 0.048 . 2 . . . . 38 VAL MG1 . 25400 1 439 . 1 1 38 38 VAL HG12 H 1 1.167 0.048 . 2 . . . . 38 VAL MG1 . 25400 1 440 . 1 1 38 38 VAL HG13 H 1 1.167 0.048 . 2 . . . . 38 VAL MG1 . 25400 1 441 . 1 1 38 38 VAL HG21 H 1 1.021 0.064 . 2 . . . . 38 VAL MG2 . 25400 1 442 . 1 1 38 38 VAL HG22 H 1 1.021 0.064 . 2 . . . . 38 VAL MG2 . 25400 1 443 . 1 1 38 38 VAL HG23 H 1 1.021 0.064 . 2 . . . . 38 VAL MG2 . 25400 1 444 . 1 1 38 38 VAL C C 13 173.695 0.04 . 1 . . . . 38 VAL C . 25400 1 445 . 1 1 38 38 VAL CA C 13 63.758 0.064 . 1 . . . . 38 VAL CA . 25400 1 446 . 1 1 38 38 VAL CB C 13 33.219 0.082 . 1 . . . . 38 VAL CB . 25400 1 447 . 1 1 38 38 VAL CG1 C 13 22.122 0.075 . 2 . . . . 38 VAL CG1 . 25400 1 448 . 1 1 38 38 VAL CG2 C 13 21.667 0.191 . 2 . . . . 38 VAL CG2 . 25400 1 449 . 1 1 38 38 VAL N N 15 118.382 0.023 . 1 . . . . 38 VAL N . 25400 1 450 . 1 1 39 39 VAL H H 1 8.473 0.009 . 1 . . . . 39 VAL H . 25400 1 451 . 1 1 39 39 VAL HA H 1 5.081 0.02 . 1 . . . . 39 VAL HA . 25400 1 452 . 1 1 39 39 VAL HB H 1 1.863 0.009 . 1 . . . . 39 VAL HB . 25400 1 453 . 1 1 39 39 VAL HG11 H 1 0.956 0.006 . 2 . . . . 39 VAL MG1 . 25400 1 454 . 1 1 39 39 VAL HG12 H 1 0.956 0.006 . 2 . . . . 39 VAL MG1 . 25400 1 455 . 1 1 39 39 VAL HG13 H 1 0.956 0.006 . 2 . . . . 39 VAL MG1 . 25400 1 456 . 1 1 39 39 VAL HG21 H 1 0.895 0.012 . 2 . . . . 39 VAL MG2 . 25400 1 457 . 1 1 39 39 VAL HG22 H 1 0.895 0.012 . 2 . . . . 39 VAL MG2 . 25400 1 458 . 1 1 39 39 VAL HG23 H 1 0.895 0.012 . 2 . . . . 39 VAL MG2 . 25400 1 459 . 1 1 39 39 VAL C C 13 176.377 0.055 . 1 . . . . 39 VAL C . 25400 1 460 . 1 1 39 39 VAL CA C 13 60.921 0.073 . 1 . . . . 39 VAL CA . 25400 1 461 . 1 1 39 39 VAL CB C 13 35.395 0.058 . 1 . . . . 39 VAL CB . 25400 1 462 . 1 1 39 39 VAL CG1 C 13 21.526 0.111 . 2 . . . . 39 VAL CG1 . 25400 1 463 . 1 1 39 39 VAL CG2 C 13 21.458 0.028 . 2 . . . . 39 VAL CG2 . 25400 1 464 . 1 1 39 39 VAL N N 15 126.681 0.038 . 1 . . . . 39 VAL N . 25400 1 465 . 1 1 40 40 TYR H H 1 9.837 0.007 . 1 . . . . 40 TYR H . 25400 1 466 . 1 1 40 40 TYR HA H 1 5.445 0.018 . 1 . . . . 40 TYR HA . 25400 1 467 . 1 1 40 40 TYR HB2 H 1 2.582 0.02 . 2 . . . . 40 TYR HB2 . 25400 1 468 . 1 1 40 40 TYR HB3 H 1 2.93 0.012 . 2 . . . . 40 TYR HB3 . 25400 1 469 . 1 1 40 40 TYR HD1 H 1 6.853 0.008 . 3 . . . . 40 TYR HD1 . 25400 1 470 . 1 1 40 40 TYR HD2 H 1 6.853 0.008 . 3 . . . . 40 TYR HD2 . 25400 1 471 . 1 1 40 40 TYR C C 13 174.784 0.034 . 1 . . . . 40 TYR C . 25400 1 472 . 1 1 40 40 TYR CA C 13 55.924 0.101 . 1 . . . . 40 TYR CA . 25400 1 473 . 1 1 40 40 TYR CB C 13 42.209 0.103 . 1 . . . . 40 TYR CB . 25400 1 474 . 1 1 40 40 TYR N N 15 128.64 0.091 . 1 . . . . 40 TYR N . 25400 1 475 . 1 1 41 41 GLU H H 1 9.176 0.007 . 1 . . . . 41 GLU H . 25400 1 476 . 1 1 41 41 GLU HA H 1 5.086 0.01 . 1 . . . . 41 GLU HA . 25400 1 477 . 1 1 41 41 GLU HB2 H 1 1.763 0.025 . 2 . . . . 41 GLU HB2 . 25400 1 478 . 1 1 41 41 GLU HB3 H 1 1.853 0.016 . 2 . . . . 41 GLU HB3 . 25400 1 479 . 1 1 41 41 GLU HG2 H 1 2.055 0.012 . 2 . . . . 41 GLU HG2 . 25400 1 480 . 1 1 41 41 GLU HG3 H 1 2.055 0.012 . 2 . . . . 41 GLU HG3 . 25400 1 481 . 1 1 41 41 GLU C C 13 174.772 0.049 . 1 . . . . 41 GLU C . 25400 1 482 . 1 1 41 41 GLU CA C 13 55.16 0.053 . 1 . . . . 41 GLU CA . 25400 1 483 . 1 1 41 41 GLU CB C 13 32.412 0.127 . 1 . . . . 41 GLU CB . 25400 1 484 . 1 1 41 41 GLU CG C 13 36.291 0.104 . 1 . . . . 41 GLU CG . 25400 1 485 . 1 1 41 41 GLU N N 15 123.148 0.046 . 1 . . . . 41 GLU N . 25400 1 486 . 1 1 42 42 ILE H H 1 9.095 0.007 . 1 . . . . 42 ILE H . 25400 1 487 . 1 1 42 42 ILE HA H 1 4.683 0.009 . 1 . . . . 42 ILE HA . 25400 1 488 . 1 1 42 42 ILE HB H 1 1.753 0.011 . 1 . . . . 42 ILE HB . 25400 1 489 . 1 1 42 42 ILE HG12 H 1 0.269 0.019 . 2 . . . . 42 ILE HG12 . 25400 1 490 . 1 1 42 42 ILE HG13 H 1 1.358 0.01 . 2 . . . . 42 ILE HG13 . 25400 1 491 . 1 1 42 42 ILE HG21 H 1 -0.07 0.01 . 1 . . . . 42 ILE MG . 25400 1 492 . 1 1 42 42 ILE HG22 H 1 -0.07 0.01 . 1 . . . . 42 ILE MG . 25400 1 493 . 1 1 42 42 ILE HG23 H 1 -0.07 0.01 . 1 . . . . 42 ILE MG . 25400 1 494 . 1 1 42 42 ILE HD11 H 1 0.318 0.007 . 1 . . . . 42 ILE MD . 25400 1 495 . 1 1 42 42 ILE HD12 H 1 0.318 0.007 . 1 . . . . 42 ILE MD . 25400 1 496 . 1 1 42 42 ILE HD13 H 1 0.318 0.007 . 1 . . . . 42 ILE MD . 25400 1 497 . 1 1 42 42 ILE C C 13 175.781 0.034 . 1 . . . . 42 ILE C . 25400 1 498 . 1 1 42 42 ILE CA C 13 60.227 0.088 . 1 . . . . 42 ILE CA . 25400 1 499 . 1 1 42 42 ILE CB C 13 39.042 0.069 . 1 . . . . 42 ILE CB . 25400 1 500 . 1 1 42 42 ILE CG1 C 13 27.144 0.077 . 1 . . . . 42 ILE CG1 . 25400 1 501 . 1 1 42 42 ILE CG2 C 13 15.784 0.15 . 1 . . . . 42 ILE CG2 . 25400 1 502 . 1 1 42 42 ILE CD1 C 13 13.87 0.108 . 1 . . . . 42 ILE CD1 . 25400 1 503 . 1 1 42 42 ILE N N 15 124.906 0.038 . 1 . . . . 42 ILE N . 25400 1 504 . 1 1 43 43 ILE H H 1 8.831 0.005 . 1 . . . . 43 ILE H . 25400 1 505 . 1 1 43 43 ILE HA H 1 3.989 0.01 . 1 . . . . 43 ILE HA . 25400 1 506 . 1 1 43 43 ILE HB H 1 1.324 0.009 . 1 . . . . 43 ILE HB . 25400 1 507 . 1 1 43 43 ILE HG12 H 1 1.136 0.01 . 2 . . . . 43 ILE HG12 . 25400 1 508 . 1 1 43 43 ILE HG13 H 1 0.867 0.007 . 2 . . . . 43 ILE HG13 . 25400 1 509 . 1 1 43 43 ILE HG21 H 1 0.623 0.006 . 1 . . . . 43 ILE MG . 25400 1 510 . 1 1 43 43 ILE HG22 H 1 0.623 0.006 . 1 . . . . 43 ILE MG . 25400 1 511 . 1 1 43 43 ILE HG23 H 1 0.623 0.006 . 1 . . . . 43 ILE MG . 25400 1 512 . 1 1 43 43 ILE HD11 H 1 0.572 0.016 . 1 . . . . 43 ILE MD . 25400 1 513 . 1 1 43 43 ILE HD12 H 1 0.572 0.016 . 1 . . . . 43 ILE MD . 25400 1 514 . 1 1 43 43 ILE HD13 H 1 0.572 0.016 . 1 . . . . 43 ILE MD . 25400 1 515 . 1 1 43 43 ILE C C 13 174.42 0.026 . 1 . . . . 43 ILE C . 25400 1 516 . 1 1 43 43 ILE CA C 13 60.508 0.114 . 1 . . . . 43 ILE CA . 25400 1 517 . 1 1 43 43 ILE CB C 13 41.235 0.072 . 1 . . . . 43 ILE CB . 25400 1 518 . 1 1 43 43 ILE CG1 C 13 28.043 0.111 . 1 . . . . 43 ILE CG1 . 25400 1 519 . 1 1 43 43 ILE CG2 C 13 18.15 0.145 . 1 . . . . 43 ILE CG2 . 25400 1 520 . 1 1 43 43 ILE CD1 C 13 14.381 0.118 . 1 . . . . 43 ILE CD1 . 25400 1 521 . 1 1 43 43 ILE N N 15 130.38 0.049 . 1 . . . . 43 ILE N . 25400 1 522 . 1 1 44 44 VAL H H 1 8.163 0.006 . 1 . . . . 44 VAL H . 25400 1 523 . 1 1 44 44 VAL HA H 1 4.008 0.008 . 1 . . . . 44 VAL HA . 25400 1 524 . 1 1 44 44 VAL HB H 1 1.392 0.01 . 1 . . . . 44 VAL HB . 25400 1 525 . 1 1 44 44 VAL HG11 H 1 0.003 0.014 . 2 . . . . 44 VAL MG1 . 25400 1 526 . 1 1 44 44 VAL HG12 H 1 0.003 0.014 . 2 . . . . 44 VAL MG1 . 25400 1 527 . 1 1 44 44 VAL HG13 H 1 0.003 0.014 . 2 . . . . 44 VAL MG1 . 25400 1 528 . 1 1 44 44 VAL HG21 H 1 0.075 0.016 . 2 . . . . 44 VAL MG2 . 25400 1 529 . 1 1 44 44 VAL HG22 H 1 0.075 0.016 . 2 . . . . 44 VAL MG2 . 25400 1 530 . 1 1 44 44 VAL HG23 H 1 0.075 0.016 . 2 . . . . 44 VAL MG2 . 25400 1 531 . 1 1 44 44 VAL C C 13 174.99 0.03 . 1 . . . . 44 VAL C . 25400 1 532 . 1 1 44 44 VAL CA C 13 60.885 0.091 . 1 . . . . 44 VAL CA . 25400 1 533 . 1 1 44 44 VAL CB C 13 33.465 0.102 . 1 . . . . 44 VAL CB . 25400 1 534 . 1 1 44 44 VAL CG1 C 13 20.69 0.33 . 2 . . . . 44 VAL CG1 . 25400 1 535 . 1 1 44 44 VAL CG2 C 13 20.817 0.439 . 2 . . . . 44 VAL CG2 . 25400 1 536 . 1 1 44 44 VAL N N 15 127.136 0.042 . 1 . . . . 44 VAL N . 25400 1 537 . 1 1 45 45 ASN H H 1 8.388 0.007 . 1 . . . . 45 ASN H . 25400 1 538 . 1 1 45 45 ASN HA H 1 4.626 0.011 . 1 . . . . 45 ASN HA . 25400 1 539 . 1 1 45 45 ASN HB2 H 1 2.283 0.016 . 2 . . . . 45 ASN HB2 . 25400 1 540 . 1 1 45 45 ASN HB3 H 1 2.489 0.009 . 2 . . . . 45 ASN HB3 . 25400 1 541 . 1 1 45 45 ASN HD21 H 1 7.39 0.192 . 2 . . . . 45 ASN HD21 . 25400 1 542 . 1 1 45 45 ASN HD22 H 1 6.616 0.006 . 2 . . . . 45 ASN HD22 . 25400 1 543 . 1 1 45 45 ASN C C 13 175.31 0.026 . 1 . . . . 45 ASN C . 25400 1 544 . 1 1 45 45 ASN CA C 13 51.648 0.054 . 1 . . . . 45 ASN CA . 25400 1 545 . 1 1 45 45 ASN CB C 13 39.921 0.083 . 1 . . . . 45 ASN CB . 25400 1 546 . 1 1 45 45 ASN N N 15 126.231 0.036 . 1 . . . . 45 ASN N . 25400 1 547 . 1 1 45 45 ASN ND2 N 15 111.901 0.18 . 1 . . . . 45 ASN ND2 . 25400 1 548 . 1 1 46 46 GLY H H 1 8.885 0.008 . 1 . . . . 46 GLY H . 25400 1 549 . 1 1 46 46 GLY HA2 H 1 3.72 0.01 . 2 . . . . 46 GLY HA2 . 25400 1 550 . 1 1 46 46 GLY HA3 H 1 3.345 0.007 . 2 . . . . 46 GLY HA3 . 25400 1 551 . 1 1 46 46 GLY C C 13 173.407 0.055 . 1 . . . . 46 GLY C . 25400 1 552 . 1 1 46 46 GLY CA C 13 47.391 0.076 . 1 . . . . 46 GLY CA . 25400 1 553 . 1 1 46 46 GLY N N 15 116.418 0.025 . 1 . . . . 46 GLY N . 25400 1 554 . 1 1 47 47 ASN H H 1 8.439 0.006 . 1 . . . . 47 ASN H . 25400 1 555 . 1 1 47 47 ASN HA H 1 4.502 0.011 . 1 . . . . 47 ASN HA . 25400 1 556 . 1 1 47 47 ASN HB2 H 1 2.779 0.018 . 2 . . . . 47 ASN HB2 . 25400 1 557 . 1 1 47 47 ASN HB3 H 1 2.779 0.018 . 2 . . . . 47 ASN HB3 . 25400 1 558 . 1 1 47 47 ASN HD21 H 1 7.389 0.01 . 2 . . . . 47 ASN HD21 . 25400 1 559 . 1 1 47 47 ASN HD22 H 1 6.743 0.006 . 2 . . . . 47 ASN HD22 . 25400 1 560 . 1 1 47 47 ASN C C 13 173.334 0.041 . 1 . . . . 47 ASN C . 25400 1 561 . 1 1 47 47 ASN CA C 13 52.546 0.088 . 1 . . . . 47 ASN CA . 25400 1 562 . 1 1 47 47 ASN CB C 13 38.109 0.094 . 1 . . . . 47 ASN CB . 25400 1 563 . 1 1 47 47 ASN N N 15 125.024 0.023 . 1 . . . . 47 ASN N . 25400 1 564 . 1 1 47 47 ASN ND2 N 15 111.721 0.042 . 1 . . . . 47 ASN ND2 . 25400 1 565 . 1 1 48 48 LYS H H 1 7.708 0.006 . 1 . . . . 48 LYS H . 25400 1 566 . 1 1 48 48 LYS HA H 1 4.742 0.011 . 1 . . . . 48 LYS HA . 25400 1 567 . 1 1 48 48 LYS HB2 H 1 1.406 0.02 . 2 . . . . 48 LYS HB2 . 25400 1 568 . 1 1 48 48 LYS HB3 H 1 1.786 0.013 . 2 . . . . 48 LYS HB3 . 25400 1 569 . 1 1 48 48 LYS HG2 H 1 1.344 0.003 . 2 . . . . 48 LYS HG2 . 25400 1 570 . 1 1 48 48 LYS HG3 H 1 1.022 0.002 . 2 . . . . 48 LYS HG3 . 25400 1 571 . 1 1 48 48 LYS HD2 H 1 1.47 0 . 2 . . . . 48 LYS HD2 . 25400 1 572 . 1 1 48 48 LYS HD3 H 1 1.47 0 . 2 . . . . 48 LYS HD3 . 25400 1 573 . 1 1 48 48 LYS C C 13 175.073 0.029 . 1 . . . . 48 LYS C . 25400 1 574 . 1 1 48 48 LYS CA C 13 55.99 0.081 . 1 . . . . 48 LYS CA . 25400 1 575 . 1 1 48 48 LYS CB C 13 33.688 0.097 . 1 . . . . 48 LYS CB . 25400 1 576 . 1 1 48 48 LYS CG C 13 25.254 0 . 1 . . . . 48 LYS CG . 25400 1 577 . 1 1 48 48 LYS CD C 13 29.466 0 . 1 . . . . 48 LYS CD . 25400 1 578 . 1 1 48 48 LYS CE C 13 42.145 0 . 1 . . . . 48 LYS CE . 25400 1 579 . 1 1 48 48 LYS N N 15 119.115 0.042 . 1 . . . . 48 LYS N . 25400 1 580 . 1 1 49 49 PHE H H 1 9.2 0.005 . 1 . . . . 49 PHE H . 25400 1 581 . 1 1 49 49 PHE HA H 1 4.581 0.021 . 1 . . . . 49 PHE HA . 25400 1 582 . 1 1 49 49 PHE HB2 H 1 2.141 0.014 . 2 . . . . 49 PHE HB2 . 25400 1 583 . 1 1 49 49 PHE HB3 H 1 2.74 0.013 . 2 . . . . 49 PHE HB3 . 25400 1 584 . 1 1 49 49 PHE C C 13 174.486 0.024 . 1 . . . . 49 PHE C . 25400 1 585 . 1 1 49 49 PHE CA C 13 56.259 0.056 . 1 . . . . 49 PHE CA . 25400 1 586 . 1 1 49 49 PHE CB C 13 41.691 0.065 . 1 . . . . 49 PHE CB . 25400 1 587 . 1 1 49 49 PHE N N 15 126.63 0.046 . 1 . . . . 49 PHE N . 25400 1 588 . 1 1 50 50 THR H H 1 9.2 0.007 . 1 . . . . 50 THR H . 25400 1 589 . 1 1 50 50 THR HA H 1 5.013 0.009 . 1 . . . . 50 THR HA . 25400 1 590 . 1 1 50 50 THR HB H 1 3.696 0.011 . 1 . . . . 50 THR HB . 25400 1 591 . 1 1 50 50 THR HG21 H 1 0.933 0.018 . 1 . . . . 50 THR MG . 25400 1 592 . 1 1 50 50 THR HG22 H 1 0.933 0.018 . 1 . . . . 50 THR MG . 25400 1 593 . 1 1 50 50 THR HG23 H 1 0.933 0.018 . 1 . . . . 50 THR MG . 25400 1 594 . 1 1 50 50 THR C C 13 172.533 0.051 . 1 . . . . 50 THR C . 25400 1 595 . 1 1 50 50 THR CA C 13 62.211 0.188 . 1 . . . . 50 THR CA . 25400 1 596 . 1 1 50 50 THR CB C 13 70.352 0.137 . 1 . . . . 50 THR CB . 25400 1 597 . 1 1 50 50 THR CG2 C 13 21.541 0.105 . 1 . . . . 50 THR CG2 . 25400 1 598 . 1 1 50 50 THR N N 15 121.103 0.055 . 1 . . . . 50 THR N . 25400 1 599 . 1 1 51 51 PHE H H 1 9.299 0.006 . 1 . . . . 51 PHE H . 25400 1 600 . 1 1 51 51 PHE HA H 1 4.645 0.009 . 1 . . . . 51 PHE HA . 25400 1 601 . 1 1 51 51 PHE HB2 H 1 2.84 0.014 . 2 . . . . 51 PHE HB2 . 25400 1 602 . 1 1 51 51 PHE HB3 H 1 2.172 0.015 . 2 . . . . 51 PHE HB3 . 25400 1 603 . 1 1 51 51 PHE C C 13 174.285 0.032 . 1 . . . . 51 PHE C . 25400 1 604 . 1 1 51 51 PHE CA C 13 56.178 0.049 . 1 . . . . 51 PHE CA . 25400 1 605 . 1 1 51 51 PHE CB C 13 41.018 0.104 . 1 . . . . 51 PHE CB . 25400 1 606 . 1 1 51 51 PHE N N 15 125.806 0.058 . 1 . . . . 51 PHE N . 25400 1 607 . 1 1 52 52 LYS H H 1 8.841 0.006 . 1 . . . . 52 LYS H . 25400 1 608 . 1 1 52 52 LYS HA H 1 4.982 0.024 . 1 . . . . 52 LYS HA . 25400 1 609 . 1 1 52 52 LYS HB2 H 1 1.503 0.024 . 2 . . . . 52 LYS HB2 . 25400 1 610 . 1 1 52 52 LYS HB3 H 1 1.705 0.005 . 2 . . . . 52 LYS HB3 . 25400 1 611 . 1 1 52 52 LYS HG2 H 1 1.158 0.01 . 2 . . . . 52 LYS HG2 . 25400 1 612 . 1 1 52 52 LYS HG3 H 1 1.158 . . 2 . . . . 52 LYS HG3 . 25400 1 613 . 1 1 52 52 LYS C C 13 175.837 0.031 . 1 . . . . 52 LYS C . 25400 1 614 . 1 1 52 52 LYS CA C 13 54.42 0.069 . 1 . . . . 52 LYS CA . 25400 1 615 . 1 1 52 52 LYS CB C 13 34.988 0.034 . 1 . . . . 52 LYS CB . 25400 1 616 . 1 1 52 52 LYS CG C 13 24.919 0.001 . 1 . . . . 52 LYS CG . 25400 1 617 . 1 1 52 52 LYS CD C 13 29.602 0 . 1 . . . . 52 LYS CD . 25400 1 618 . 1 1 52 52 LYS CE C 13 42.325 0 . 1 . . . . 52 LYS CE . 25400 1 619 . 1 1 52 52 LYS N N 15 122.329 0.039 . 1 . . . . 52 LYS N . 25400 1 620 . 1 1 53 53 SER H H 1 8.685 0.021 . 1 . . . . 53 SER H . 25400 1 621 . 1 1 53 53 SER HA H 1 5.741 0.026 . 1 . . . . 53 SER HA . 25400 1 622 . 1 1 53 53 SER HB2 H 1 3.475 0.024 . 2 . . . . 53 SER HB2 . 25400 1 623 . 1 1 53 53 SER HB3 H 1 3.475 0.024 . 2 . . . . 53 SER HB3 . 25400 1 624 . 1 1 53 53 SER C C 13 177.24 0.043 . 1 . . . . 53 SER C . 25400 1 625 . 1 1 53 53 SER CA C 13 54.541 0.079 . 1 . . . . 53 SER CA . 25400 1 626 . 1 1 53 53 SER CB C 13 66.378 0.19 . 1 . . . . 53 SER CB . 25400 1 627 . 1 1 53 53 SER N N 15 117.284 0.129 . 1 . . . . 53 SER N . 25400 1 628 . 1 1 54 54 SER H H 1 9.335 0.009 . 1 . . . . 54 SER H . 25400 1 629 . 1 1 54 54 SER HA H 1 4.274 0.012 . 1 . . . . 54 SER HA . 25400 1 630 . 1 1 54 54 SER HB2 H 1 3.975 0.009 . 2 . . . . 54 SER HB2 . 25400 1 631 . 1 1 54 54 SER HB3 H 1 3.975 0.009 . 2 . . . . 54 SER HB3 . 25400 1 632 . 1 1 54 54 SER C C 13 175.569 0.13 . 1 . . . . 54 SER C . 25400 1 633 . 1 1 54 54 SER CA C 13 60.652 0.07 . 1 . . . . 54 SER CA . 25400 1 634 . 1 1 54 54 SER CB C 13 62.36 0.18 . 1 . . . . 54 SER CB . 25400 1 635 . 1 1 54 54 SER N N 15 122.544 0.075 . 1 . . . . 54 SER N . 25400 1 636 . 1 1 55 55 SER H H 1 8.027 0.008 . 1 . . . . 55 SER H . 25400 1 637 . 1 1 55 55 SER HA H 1 4.419 0.005 . 1 . . . . 55 SER HA . 25400 1 638 . 1 1 55 55 SER HB2 H 1 4.041 0.014 . 2 . . . . 55 SER HB2 . 25400 1 639 . 1 1 55 55 SER HB3 H 1 3.818 0.016 . 2 . . . . 55 SER HB3 . 25400 1 640 . 1 1 55 55 SER C C 13 174.803 0.041 . 1 . . . . 55 SER C . 25400 1 641 . 1 1 55 55 SER CA C 13 58.677 0.138 . 1 . . . . 55 SER CA . 25400 1 642 . 1 1 55 55 SER CB C 13 63.641 0.079 . 1 . . . . 55 SER CB . 25400 1 643 . 1 1 55 55 SER N N 15 115.375 0.076 . 1 . . . . 55 SER N . 25400 1 644 . 1 1 56 56 GLY H H 1 7.831 0.005 . 1 . . . . 56 GLY H . 25400 1 645 . 1 1 56 56 GLY HA2 H 1 4.383 0.014 . 2 . . . . 56 GLY HA2 . 25400 1 646 . 1 1 56 56 GLY HA3 H 1 3.542 0.041 . 2 . . . . 56 GLY HA3 . 25400 1 647 . 1 1 56 56 GLY C C 13 174.108 0.022 . 1 . . . . 56 GLY C . 25400 1 648 . 1 1 56 56 GLY CA C 13 45.025 0.044 . 1 . . . . 56 GLY CA . 25400 1 649 . 1 1 56 56 GLY N N 15 109.207 0.043 . 1 . . . . 56 GLY N . 25400 1 650 . 1 1 57 57 MET H H 1 7.616 0.007 . 1 . . . . 57 MET H . 25400 1 651 . 1 1 57 57 MET HA H 1 4.246 0.018 . 1 . . . . 57 MET HA . 25400 1 652 . 1 1 57 57 MET HB2 H 1 1.863 0.02 . 2 . . . . 57 MET HB2 . 25400 1 653 . 1 1 57 57 MET HB3 H 1 1.863 0.02 . 2 . . . . 57 MET HB3 . 25400 1 654 . 1 1 57 57 MET HG2 H 1 2.408 0.004 . 2 . . . . 57 MET HG2 . 25400 1 655 . 1 1 57 57 MET HG3 H 1 2.408 0.004 . 2 . . . . 57 MET HG3 . 25400 1 656 . 1 1 57 57 MET C C 13 174.917 0.019 . 1 . . . . 57 MET C . 25400 1 657 . 1 1 57 57 MET CA C 13 56.402 0.078 . 1 . . . . 57 MET CA . 25400 1 658 . 1 1 57 57 MET CB C 13 32.656 0.094 . 1 . . . . 57 MET CB . 25400 1 659 . 1 1 57 57 MET CG C 13 31.981 0.038 . 1 . . . . 57 MET CG . 25400 1 660 . 1 1 57 57 MET N N 15 121.956 0.051 . 1 . . . . 57 MET N . 25400 1 661 . 1 1 58 58 ASN H H 1 8.756 0.015 . 1 . . . . 58 ASN H . 25400 1 662 . 1 1 58 58 ASN HA H 1 5.271 0.017 . 1 . . . . 58 ASN HA . 25400 1 663 . 1 1 58 58 ASN HB2 H 1 2.643 0.016 . 2 . . . . 58 ASN HB2 . 25400 1 664 . 1 1 58 58 ASN HB3 H 1 2.643 0.016 . 2 . . . . 58 ASN HB3 . 25400 1 665 . 1 1 58 58 ASN HD21 H 1 7.29 0.006 . 2 . . . . 58 ASN HD21 . 25400 1 666 . 1 1 58 58 ASN HD22 H 1 6.529 0.011 . 2 . . . . 58 ASN HD22 . 25400 1 667 . 1 1 58 58 ASN C C 13 174.289 0.017 . 1 . . . . 58 ASN C . 25400 1 668 . 1 1 58 58 ASN CA C 13 53.106 0.051 . 1 . . . . 58 ASN CA . 25400 1 669 . 1 1 58 58 ASN CB C 13 39.645 0.077 . 1 . . . . 58 ASN CB . 25400 1 670 . 1 1 58 58 ASN N N 15 125.977 0.085 . 1 . . . . 58 ASN N . 25400 1 671 . 1 1 58 58 ASN ND2 N 15 110.432 0.087 . 1 . . . . 58 ASN ND2 . 25400 1 672 . 1 1 59 59 SER H H 1 8.626 0.006 . 1 . . . . 59 SER H . 25400 1 673 . 1 1 59 59 SER HA H 1 4.777 0.013 . 1 . . . . 59 SER HA . 25400 1 674 . 1 1 59 59 SER HB2 H 1 3.542 0.007 . 2 . . . . 59 SER HB2 . 25400 1 675 . 1 1 59 59 SER HB3 H 1 3.542 . . 2 . . . . 59 SER HB3 . 25400 1 676 . 1 1 59 59 SER C C 13 173.368 0.013 . 1 . . . . 59 SER C . 25400 1 677 . 1 1 59 59 SER CA C 13 57.284 0.085 . 1 . . . . 59 SER CA . 25400 1 678 . 1 1 59 59 SER CB C 13 65.914 0.157 . 1 . . . . 59 SER CB . 25400 1 679 . 1 1 59 59 SER N N 15 118.109 0.051 . 1 . . . . 59 SER N . 25400 1 680 . 1 1 60 60 THR H H 1 8.229 0.006 . 1 . . . . 60 THR H . 25400 1 681 . 1 1 60 60 THR HA H 1 5.184 0.011 . 1 . . . . 60 THR HA . 25400 1 682 . 1 1 60 60 THR HB H 1 3.77 0.014 . 1 . . . . 60 THR HB . 25400 1 683 . 1 1 60 60 THR HG21 H 1 0.902 0.018 . 1 . . . . 60 THR MG . 25400 1 684 . 1 1 60 60 THR HG22 H 1 0.902 0.018 . 1 . . . . 60 THR MG . 25400 1 685 . 1 1 60 60 THR HG23 H 1 0.902 0.018 . 1 . . . . 60 THR MG . 25400 1 686 . 1 1 60 60 THR C C 13 173.149 0.052 . 1 . . . . 60 THR C . 25400 1 687 . 1 1 60 60 THR CA C 13 62.118 0.107 . 1 . . . . 60 THR CA . 25400 1 688 . 1 1 60 60 THR CB C 13 70.959 0.194 . 1 . . . . 60 THR CB . 25400 1 689 . 1 1 60 60 THR CG2 C 13 21.525 0 . 1 . . . . 60 THR CG2 . 25400 1 690 . 1 1 60 60 THR N N 15 121.542 0.083 . 1 . . . . 60 THR N . 25400 1 691 . 1 1 61 61 LEU H H 1 9.148 0.006 . 1 . . . . 61 LEU H . 25400 1 692 . 1 1 61 61 LEU HA H 1 4.278 0.008 . 1 . . . . 61 LEU HA . 25400 1 693 . 1 1 61 61 LEU HB2 H 1 1.38 0.013 . 2 . . . . 61 LEU HB2 . 25400 1 694 . 1 1 61 61 LEU HB3 H 1 1.713 0.013 . 2 . . . . 61 LEU HB3 . 25400 1 695 . 1 1 61 61 LEU HG H 1 1.33 0.018 . 1 . . . . 61 LEU HG . 25400 1 696 . 1 1 61 61 LEU HD11 H 1 0.492 0.009 . 2 . . . . 61 LEU MD1 . 25400 1 697 . 1 1 61 61 LEU HD12 H 1 0.492 0.009 . 2 . . . . 61 LEU MD1 . 25400 1 698 . 1 1 61 61 LEU HD13 H 1 0.492 0.009 . 2 . . . . 61 LEU MD1 . 25400 1 699 . 1 1 61 61 LEU HD21 H 1 0.467 0.006 . 2 . . . . 61 LEU MD2 . 25400 1 700 . 1 1 61 61 LEU HD22 H 1 0.467 0.006 . 2 . . . . 61 LEU MD2 . 25400 1 701 . 1 1 61 61 LEU HD23 H 1 0.467 0.006 . 2 . . . . 61 LEU MD2 . 25400 1 702 . 1 1 61 61 LEU C C 13 175.387 0.03 . 1 . . . . 61 LEU C . 25400 1 703 . 1 1 61 61 LEU CA C 13 53.572 0.067 . 1 . . . . 61 LEU CA . 25400 1 704 . 1 1 61 61 LEU CB C 13 43.47 0.139 . 1 . . . . 61 LEU CB . 25400 1 705 . 1 1 61 61 LEU CG C 13 27.128 0.104 . 1 . . . . 61 LEU CG . 25400 1 706 . 1 1 61 61 LEU CD1 C 13 22.085 0.143 . 2 . . . . 61 LEU CD1 . 25400 1 707 . 1 1 61 61 LEU CD2 C 13 25.904 0.104 . 2 . . . . 61 LEU CD2 . 25400 1 708 . 1 1 61 61 LEU N N 15 127.71 0.058 . 1 . . . . 61 LEU N . 25400 1 709 . 1 1 62 62 ILE H H 1 6.84 0.006 . 1 . . . . 62 ILE H . 25400 1 710 . 1 1 62 62 ILE HA H 1 4.742 0.023 . 1 . . . . 62 ILE HA . 25400 1 711 . 1 1 62 62 ILE HB H 1 1.152 0.01 . 1 . . . . 62 ILE HB . 25400 1 712 . 1 1 62 62 ILE HG12 H 1 1.287 0.013 . 2 . . . . 62 ILE HG12 . 25400 1 713 . 1 1 62 62 ILE HG13 H 1 1.287 . . 2 . . . . 62 ILE HG13 . 25400 1 714 . 1 1 62 62 ILE HG21 H 1 0.545 0.02 . 1 . . . . 62 ILE MG . 25400 1 715 . 1 1 62 62 ILE HG22 H 1 0.545 0.02 . 1 . . . . 62 ILE MG . 25400 1 716 . 1 1 62 62 ILE HG23 H 1 0.545 0.02 . 1 . . . . 62 ILE MG . 25400 1 717 . 1 1 62 62 ILE HD11 H 1 0.614 0.011 . 1 . . . . 62 ILE MD . 25400 1 718 . 1 1 62 62 ILE HD12 H 1 0.614 0.011 . 1 . . . . 62 ILE MD . 25400 1 719 . 1 1 62 62 ILE HD13 H 1 0.614 0.011 . 1 . . . . 62 ILE MD . 25400 1 720 . 1 1 62 62 ILE C C 13 176.19 0.025 . 1 . . . . 62 ILE C . 25400 1 721 . 1 1 62 62 ILE CA C 13 59.802 0.111 . 1 . . . . 62 ILE CA . 25400 1 722 . 1 1 62 62 ILE CB C 13 40.283 0.091 . 1 . . . . 62 ILE CB . 25400 1 723 . 1 1 62 62 ILE CG1 C 13 27.318 0.152 . 1 . . . . 62 ILE CG1 . 25400 1 724 . 1 1 62 62 ILE CG2 C 13 17.074 0.091 . 1 . . . . 62 ILE CG2 . 25400 1 725 . 1 1 62 62 ILE CD1 C 13 12.72 0.198 . 1 . . . . 62 ILE CD1 . 25400 1 726 . 1 1 62 62 ILE N N 15 118.154 0.045 . 1 . . . . 62 ILE N . 25400 1 727 . 1 1 63 63 VAL H H 1 8.618 0.005 . 1 . . . . 63 VAL H . 25400 1 728 . 1 1 63 63 VAL HA H 1 3.04 0.008 . 1 . . . . 63 VAL HA . 25400 1 729 . 1 1 63 63 VAL HB H 1 1.725 0.007 . 1 . . . . 63 VAL HB . 25400 1 730 . 1 1 63 63 VAL HG11 H 1 0.765 0.011 . 2 . . . . 63 VAL MG1 . 25400 1 731 . 1 1 63 63 VAL HG12 H 1 0.765 0.011 . 2 . . . . 63 VAL MG1 . 25400 1 732 . 1 1 63 63 VAL HG13 H 1 0.765 0.011 . 2 . . . . 63 VAL MG1 . 25400 1 733 . 1 1 63 63 VAL HG21 H 1 0.69 0.079 . 2 . . . . 63 VAL MG2 . 25400 1 734 . 1 1 63 63 VAL HG22 H 1 0.69 0.079 . 2 . . . . 63 VAL MG2 . 25400 1 735 . 1 1 63 63 VAL HG23 H 1 0.69 0.079 . 2 . . . . 63 VAL MG2 . 25400 1 736 . 1 1 63 63 VAL C C 13 175.623 0.034 . 1 . . . . 63 VAL C . 25400 1 737 . 1 1 63 63 VAL CA C 13 64.778 0.062 . 1 . . . . 63 VAL CA . 25400 1 738 . 1 1 63 63 VAL CB C 13 31.776 0.056 . 1 . . . . 63 VAL CB . 25400 1 739 . 1 1 63 63 VAL CG1 C 13 22.402 0.128 . 2 . . . . 63 VAL CG1 . 25400 1 740 . 1 1 63 63 VAL CG2 C 13 23.366 0.016 . 2 . . . . 63 VAL CG2 . 25400 1 741 . 1 1 63 63 VAL N N 15 127.801 0.058 . 1 . . . . 63 VAL N . 25400 1 742 . 1 1 64 64 ASN H H 1 9.159 0.005 . 1 . . . . 64 ASN H . 25400 1 743 . 1 1 64 64 ASN HA H 1 4.006 0.008 . 1 . . . . 64 ASN HA . 25400 1 744 . 1 1 64 64 ASN HB2 H 1 3.073 0.022 . 2 . . . . 64 ASN HB2 . 25400 1 745 . 1 1 64 64 ASN HB3 H 1 3.073 0.022 . 2 . . . . 64 ASN HB3 . 25400 1 746 . 1 1 64 64 ASN HD21 H 1 7.551 0.004 . 2 . . . . 64 ASN HD21 . 25400 1 747 . 1 1 64 64 ASN HD22 H 1 6.825 0.007 . 2 . . . . 64 ASN HD22 . 25400 1 748 . 1 1 64 64 ASN C C 13 173.469 0.044 . 1 . . . . 64 ASN C . 25400 1 749 . 1 1 64 64 ASN CA C 13 54.838 0.066 . 1 . . . . 64 ASN CA . 25400 1 750 . 1 1 64 64 ASN CB C 13 36.856 0.063 . 1 . . . . 64 ASN CB . 25400 1 751 . 1 1 64 64 ASN N N 15 118.871 0.05 . 1 . . . . 64 ASN N . 25400 1 752 . 1 1 64 64 ASN ND2 N 15 113.044 0.216 . 1 . . . . 64 ASN ND2 . 25400 1 753 . 1 1 65 65 GLU H H 1 7.527 0.005 . 1 . . . . 65 GLU H . 25400 1 754 . 1 1 65 65 GLU HA H 1 4.542 0.014 . 1 . . . . 65 GLU HA . 25400 1 755 . 1 1 65 65 GLU HB2 H 1 1.843 0.008 . 2 . . . . 65 GLU HB2 . 25400 1 756 . 1 1 65 65 GLU HB3 H 1 1.317 0.009 . 2 . . . . 65 GLU HB3 . 25400 1 757 . 1 1 65 65 GLU HG2 H 1 1.993 0.003 . 2 . . . . 65 GLU HG2 . 25400 1 758 . 1 1 65 65 GLU HG3 H 1 2.019 0.01 . 2 . . . . 65 GLU HG3 . 25400 1 759 . 1 1 65 65 GLU C C 13 173.826 0.034 . 1 . . . . 65 GLU C . 25400 1 760 . 1 1 65 65 GLU CA C 13 54.67 0.136 . 1 . . . . 65 GLU CA . 25400 1 761 . 1 1 65 65 GLU CB C 13 33.944 0.114 . 1 . . . . 65 GLU CB . 25400 1 762 . 1 1 65 65 GLU CG C 13 36.095 0.114 . 1 . . . . 65 GLU CG . 25400 1 763 . 1 1 65 65 GLU N N 15 116.384 0.078 . 1 . . . . 65 GLU N . 25400 1 764 . 1 1 66 66 GLU H H 1 8.643 0.005 . 1 . . . . 66 GLU H . 25400 1 765 . 1 1 66 66 GLU HA H 1 4.938 0.014 . 1 . . . . 66 GLU HA . 25400 1 766 . 1 1 66 66 GLU HB2 H 1 1.973 0.008 . 2 . . . . 66 GLU HB2 . 25400 1 767 . 1 1 66 66 GLU HB3 H 1 1.973 0.008 . 2 . . . . 66 GLU HB3 . 25400 1 768 . 1 1 66 66 GLU HG2 H 1 1.98 0.011 . 2 . . . . 66 GLU HG2 . 25400 1 769 . 1 1 66 66 GLU HG3 H 1 1.98 0.011 . 2 . . . . 66 GLU HG3 . 25400 1 770 . 1 1 66 66 GLU C C 13 176.179 0.042 . 1 . . . . 66 GLU C . 25400 1 771 . 1 1 66 66 GLU CA C 13 54.991 0.064 . 1 . . . . 66 GLU CA . 25400 1 772 . 1 1 66 66 GLU CB C 13 32.366 0.121 . 1 . . . . 66 GLU CB . 25400 1 773 . 1 1 66 66 GLU CG C 13 38.139 0.261 . 1 . . . . 66 GLU CG . 25400 1 774 . 1 1 66 66 GLU N N 15 121.505 0.06 . 1 . . . . 66 GLU N . 25400 1 775 . 1 1 67 67 VAL H H 1 8.669 0.005 . 1 . . . . 67 VAL H . 25400 1 776 . 1 1 67 67 VAL HA H 1 4.669 0.011 . 1 . . . . 67 VAL HA . 25400 1 777 . 1 1 67 67 VAL HB H 1 2.124 0.022 . 1 . . . . 67 VAL HB . 25400 1 778 . 1 1 67 67 VAL HG11 H 1 0.849 0.008 . 2 . . . . 67 VAL MG1 . 25400 1 779 . 1 1 67 67 VAL HG12 H 1 0.849 0.008 . 2 . . . . 67 VAL MG1 . 25400 1 780 . 1 1 67 67 VAL HG13 H 1 0.849 0.008 . 2 . . . . 67 VAL MG1 . 25400 1 781 . 1 1 67 67 VAL HG21 H 1 0.858 0.009 . 2 . . . . 67 VAL MG2 . 25400 1 782 . 1 1 67 67 VAL HG22 H 1 0.858 0.009 . 2 . . . . 67 VAL MG2 . 25400 1 783 . 1 1 67 67 VAL HG23 H 1 0.858 0.009 . 2 . . . . 67 VAL MG2 . 25400 1 784 . 1 1 67 67 VAL C C 13 174.519 0.032 . 1 . . . . 67 VAL C . 25400 1 785 . 1 1 67 67 VAL CA C 13 58.848 0.072 . 1 . . . . 67 VAL CA . 25400 1 786 . 1 1 67 67 VAL CB C 13 35.68 0.074 . 1 . . . . 67 VAL CB . 25400 1 787 . 1 1 67 67 VAL CG1 C 13 18.923 0.075 . 2 . . . . 67 VAL CG1 . 25400 1 788 . 1 1 67 67 VAL CG2 C 13 20.979 0.076 . 2 . . . . 67 VAL CG2 . 25400 1 789 . 1 1 67 67 VAL N N 15 119.932 0.041 . 1 . . . . 67 VAL N . 25400 1 790 . 1 1 68 68 GLU H H 1 8.381 0.005 . 1 . . . . 68 GLU H . 25400 1 791 . 1 1 68 68 GLU HA H 1 4.841 0.013 . 1 . . . . 68 GLU HA . 25400 1 792 . 1 1 68 68 GLU HB2 H 1 1.876 0.01 . 2 . . . . 68 GLU HB2 . 25400 1 793 . 1 1 68 68 GLU HB3 H 1 1.735 0.013 . 2 . . . . 68 GLU HB3 . 25400 1 794 . 1 1 68 68 GLU HG2 H 1 2.077 0.009 . 2 . . . . 68 GLU HG2 . 25400 1 795 . 1 1 68 68 GLU HG3 H 1 2.077 0.009 . 2 . . . . 68 GLU HG3 . 25400 1 796 . 1 1 68 68 GLU C C 13 176.247 0.037 . 1 . . . . 68 GLU C . 25400 1 797 . 1 1 68 68 GLU CA C 13 55.48 0.083 . 1 . . . . 68 GLU CA . 25400 1 798 . 1 1 68 68 GLU CB C 13 30.508 0.108 . 1 . . . . 68 GLU CB . 25400 1 799 . 1 1 68 68 GLU CG C 13 36.559 0.028 . 1 . . . . 68 GLU CG . 25400 1 800 . 1 1 68 68 GLU N N 15 121.515 0.046 . 1 . . . . 68 GLU N . 25400 1 801 . 1 1 69 69 GLU H H 1 9.276 0.01 . 1 . . . . 69 GLU H . 25400 1 802 . 1 1 69 69 GLU HA H 1 4.554 0.011 . 1 . . . . 69 GLU HA . 25400 1 803 . 1 1 69 69 GLU HB2 H 1 1.731 0.015 . 2 . . . . 69 GLU HB2 . 25400 1 804 . 1 1 69 69 GLU HB3 H 1 1.731 . . 2 . . . . 69 GLU HB3 . 25400 1 805 . 1 1 69 69 GLU HG2 H 1 2.007 0.016 . 2 . . . . 69 GLU HG2 . 25400 1 806 . 1 1 69 69 GLU HG3 H 1 2.007 . . 2 . . . . 69 GLU HG3 . 25400 1 807 . 1 1 69 69 GLU C C 13 174.732 0.025 . 1 . . . . 69 GLU C . 25400 1 808 . 1 1 69 69 GLU CA C 13 55.436 0.103 . 1 . . . . 69 GLU CA . 25400 1 809 . 1 1 69 69 GLU CB C 13 32.817 0.031 . 1 . . . . 69 GLU CB . 25400 1 810 . 1 1 69 69 GLU CG C 13 37.182 0 . 1 . . . . 69 GLU CG . 25400 1 811 . 1 1 69 69 GLU N N 15 125.705 0.086 . 1 . . . . 69 GLU N . 25400 1 812 . 1 1 70 70 VAL H H 1 8.642 0.005 . 1 . . . . 70 VAL H . 25400 1 813 . 1 1 70 70 VAL HA H 1 4.183 0.007 . 1 . . . . 70 VAL HA . 25400 1 814 . 1 1 70 70 VAL HB H 1 1.916 0.052 . 1 . . . . 70 VAL HB . 25400 1 815 . 1 1 70 70 VAL HG11 H 1 0.75 0.01 . 2 . . . . 70 VAL MG1 . 25400 1 816 . 1 1 70 70 VAL HG12 H 1 0.75 0.01 . 2 . . . . 70 VAL MG1 . 25400 1 817 . 1 1 70 70 VAL HG13 H 1 0.75 0.01 . 2 . . . . 70 VAL MG1 . 25400 1 818 . 1 1 70 70 VAL C C 13 175.68 0.03 . 1 . . . . 70 VAL C . 25400 1 819 . 1 1 70 70 VAL CA C 13 62.008 0.067 . 1 . . . . 70 VAL CA . 25400 1 820 . 1 1 70 70 VAL CB C 13 32.019 0.112 . 1 . . . . 70 VAL CB . 25400 1 821 . 1 1 70 70 VAL CG1 C 13 20.644 0.026 . 2 . . . . 70 VAL CG1 . 25400 1 822 . 1 1 70 70 VAL N N 15 125.662 0.046 . 1 . . . . 70 VAL N . 25400 1 823 . 1 1 71 71 LEU H H 1 8.517 0.005 . 1 . . . . 71 LEU H . 25400 1 824 . 1 1 71 71 LEU HA H 1 4.636 0.01 . 1 . . . . 71 LEU HA . 25400 1 825 . 1 1 71 71 LEU HB2 H 1 1.777 0.019 . 2 . . . . 71 LEU HB2 . 25400 1 826 . 1 1 71 71 LEU HB3 H 1 1.04 0.012 . 2 . . . . 71 LEU HB3 . 25400 1 827 . 1 1 71 71 LEU HG H 1 1.279 0.022 . 1 . . . . 71 LEU HG . 25400 1 828 . 1 1 71 71 LEU HD11 H 1 0.622 0.011 . 2 . . . . 71 LEU MD1 . 25400 1 829 . 1 1 71 71 LEU HD12 H 1 0.622 0.011 . 2 . . . . 71 LEU MD1 . 25400 1 830 . 1 1 71 71 LEU HD13 H 1 0.622 0.011 . 2 . . . . 71 LEU MD1 . 25400 1 831 . 1 1 71 71 LEU HD21 H 1 0.58 0.009 . 2 . . . . 71 LEU MD2 . 25400 1 832 . 1 1 71 71 LEU HD22 H 1 0.58 0.009 . 2 . . . . 71 LEU MD2 . 25400 1 833 . 1 1 71 71 LEU HD23 H 1 0.58 0.009 . 2 . . . . 71 LEU MD2 . 25400 1 834 . 1 1 71 71 LEU C C 13 177.756 0.03 . 1 . . . . 71 LEU C . 25400 1 835 . 1 1 71 71 LEU CA C 13 52.285 0.047 . 1 . . . . 71 LEU CA . 25400 1 836 . 1 1 71 71 LEU CB C 13 41.028 0.09 . 1 . . . . 71 LEU CB . 25400 1 837 . 1 1 71 71 LEU CD1 C 13 23.472 0.096 . 2 . . . . 71 LEU CD1 . 25400 1 838 . 1 1 71 71 LEU CD2 C 13 26.5 0.118 . 2 . . . . 71 LEU CD2 . 25400 1 839 . 1 1 71 71 LEU N N 15 128.361 0.038 . 1 . . . . 71 LEU N . 25400 1 840 . 1 1 72 72 GLY H H 1 8.361 0.005 . 1 . . . . 72 GLY H . 25400 1 841 . 1 1 72 72 GLY HA2 H 1 3.806 0.016 . 2 . . . . 72 GLY HA2 . 25400 1 842 . 1 1 72 72 GLY HA3 H 1 3.806 0.016 . 2 . . . . 72 GLY HA3 . 25400 1 843 . 1 1 72 72 GLY C C 13 176.714 0.038 . 1 . . . . 72 GLY C . 25400 1 844 . 1 1 72 72 GLY CA C 13 47.261 0.084 . 1 . . . . 72 GLY CA . 25400 1 845 . 1 1 72 72 GLY N N 15 111.409 0.038 . 1 . . . . 72 GLY N . 25400 1 846 . 1 1 73 73 THR H H 1 8.058 0.008 . 1 . . . . 73 THR H . 25400 1 847 . 1 1 73 73 THR HA H 1 4.64 0 . 1 . . . . 73 THR HA . 25400 1 848 . 1 1 73 73 THR HB H 1 3.902 0.01 . 1 . . . . 73 THR HB . 25400 1 849 . 1 1 73 73 THR HG21 H 1 1.098 0.009 . 1 . . . . 73 THR MG . 25400 1 850 . 1 1 73 73 THR HG22 H 1 1.098 0.009 . 1 . . . . 73 THR MG . 25400 1 851 . 1 1 73 73 THR HG23 H 1 1.098 0.009 . 1 . . . . 73 THR MG . 25400 1 852 . 1 1 73 73 THR C C 13 175.242 0 . 1 . . . . 73 THR C . 25400 1 853 . 1 1 73 73 THR CA C 13 65.238 0.057 . 1 . . . . 73 THR CA . 25400 1 854 . 1 1 73 73 THR CB C 13 68.606 0.05 . 1 . . . . 73 THR CB . 25400 1 855 . 1 1 73 73 THR CG2 C 13 22.436 0.133 . 1 . . . . 73 THR CG2 . 25400 1 856 . 1 1 73 73 THR N N 15 112.603 0.022 . 1 . . . . 73 THR N . 25400 1 857 . 1 1 74 74 VAL HA H 1 4.201 0.01 . 1 . . . . 74 VAL HA . 25400 1 858 . 1 1 74 74 VAL HB H 1 2.384 0.011 . 1 . . . . 74 VAL HB . 25400 1 859 . 1 1 74 74 VAL HG11 H 1 0.612 0.015 . 2 . . . . 74 VAL MG1 . 25400 1 860 . 1 1 74 74 VAL HG12 H 1 0.612 0.015 . 2 . . . . 74 VAL MG1 . 25400 1 861 . 1 1 74 74 VAL HG13 H 1 0.612 0.015 . 2 . . . . 74 VAL MG1 . 25400 1 862 . 1 1 74 74 VAL HG21 H 1 0.548 0.007 . 2 . . . . 74 VAL MG2 . 25400 1 863 . 1 1 74 74 VAL HG22 H 1 0.548 0.007 . 2 . . . . 74 VAL MG2 . 25400 1 864 . 1 1 74 74 VAL HG23 H 1 0.548 0.007 . 2 . . . . 74 VAL MG2 . 25400 1 865 . 1 1 74 74 VAL C C 13 173.44 0 . 1 . . . . 74 VAL C . 25400 1 866 . 1 1 74 74 VAL CA C 13 59.934 0.088 . 1 . . . . 74 VAL CA . 25400 1 867 . 1 1 74 74 VAL CB C 13 31.286 0.159 . 1 . . . . 74 VAL CB . 25400 1 868 . 1 1 74 74 VAL CG1 C 13 20.068 0.073 . 2 . . . . 74 VAL CG1 . 25400 1 869 . 1 1 74 74 VAL CG2 C 13 22.15 0.129 . 2 . . . . 74 VAL CG2 . 25400 1 870 . 1 1 75 75 ASN H H 1 7.495 0.005 . 1 . . . . 75 ASN H . 25400 1 871 . 1 1 75 75 ASN HA H 1 4.165 0.008 . 1 . . . . 75 ASN HA . 25400 1 872 . 1 1 75 75 ASN HB2 H 1 2.485 0.008 . 2 . . . . 75 ASN HB2 . 25400 1 873 . 1 1 75 75 ASN HB3 H 1 2.886 0.007 . 2 . . . . 75 ASN HB3 . 25400 1 874 . 1 1 75 75 ASN HD21 H 1 7.356 0.005 . 2 . . . . 75 ASN HD21 . 25400 1 875 . 1 1 75 75 ASN HD22 H 1 6.627 0.006 . 2 . . . . 75 ASN HD22 . 25400 1 876 . 1 1 75 75 ASN C C 13 173.784 0.038 . 1 . . . . 75 ASN C . 25400 1 877 . 1 1 75 75 ASN CA C 13 54.088 0.062 . 1 . . . . 75 ASN CA . 25400 1 878 . 1 1 75 75 ASN CB C 13 37.179 0.056 . 1 . . . . 75 ASN CB . 25400 1 879 . 1 1 75 75 ASN N N 15 117.193 0.056 . 1 . . . . 75 ASN N . 25400 1 880 . 1 1 75 75 ASN ND2 N 15 111.509 0.066 . 1 . . . . 75 ASN ND2 . 25400 1 881 . 1 1 76 76 MET H H 1 7.259 0.006 . 1 . . . . 76 MET H . 25400 1 882 . 1 1 76 76 MET HA H 1 4.592 0.01 . 1 . . . . 76 MET HA . 25400 1 883 . 1 1 76 76 MET HB2 H 1 1.661 0.019 . 2 . . . . 76 MET HB2 . 25400 1 884 . 1 1 76 76 MET HB3 H 1 1.483 0.009 . 2 . . . . 76 MET HB3 . 25400 1 885 . 1 1 76 76 MET HG2 H 1 2.283 0.039 . 2 . . . . 76 MET HG2 . 25400 1 886 . 1 1 76 76 MET HG3 H 1 2.283 0.039 . 2 . . . . 76 MET HG3 . 25400 1 887 . 1 1 76 76 MET HE1 H 1 1.24 0.006 . 1 . . . . 76 MET ME . 25400 1 888 . 1 1 76 76 MET HE2 H 1 1.24 0.006 . 1 . . . . 76 MET ME . 25400 1 889 . 1 1 76 76 MET HE3 H 1 1.24 0.006 . 1 . . . . 76 MET ME . 25400 1 890 . 1 1 76 76 MET C C 13 173.439 0.029 . 1 . . . . 76 MET C . 25400 1 891 . 1 1 76 76 MET CA C 13 55.365 0.093 . 1 . . . . 76 MET CA . 25400 1 892 . 1 1 76 76 MET CB C 13 38.42 0.261 . 1 . . . . 76 MET CB . 25400 1 893 . 1 1 76 76 MET CG C 13 32.06 0.094 . 1 . . . . 76 MET CG . 25400 1 894 . 1 1 76 76 MET CE C 13 13.305 0.114 . 1 . . . . 76 MET CE . 25400 1 895 . 1 1 76 76 MET N N 15 113.932 0.036 . 1 . . . . 76 MET N . 25400 1 896 . 1 1 77 77 ASN H H 1 8.192 0.004 . 1 . . . . 77 ASN H . 25400 1 897 . 1 1 77 77 ASN HA H 1 5.24 0.014 . 1 . . . . 77 ASN HA . 25400 1 898 . 1 1 77 77 ASN HB2 H 1 2.498 0.022 . 2 . . . . 77 ASN HB2 . 25400 1 899 . 1 1 77 77 ASN HB3 H 1 2.498 0.022 . 2 . . . . 77 ASN HB3 . 25400 1 900 . 1 1 77 77 ASN HD21 H 1 7.241 0.006 . 2 . . . . 77 ASN HD21 . 25400 1 901 . 1 1 77 77 ASN HD22 H 1 6.625 0.008 . 2 . . . . 77 ASN HD22 . 25400 1 902 . 1 1 77 77 ASN C C 13 174.435 0.036 . 1 . . . . 77 ASN C . 25400 1 903 . 1 1 77 77 ASN CA C 13 52.506 0.039 . 1 . . . . 77 ASN CA . 25400 1 904 . 1 1 77 77 ASN CB C 13 39.387 0.081 . 1 . . . . 77 ASN CB . 25400 1 905 . 1 1 77 77 ASN N N 15 122.869 0.042 . 1 . . . . 77 ASN N . 25400 1 906 . 1 1 77 77 ASN ND2 N 15 111.728 0.067 . 1 . . . . 77 ASN ND2 . 25400 1 907 . 1 1 78 78 ILE H H 1 8.44 0.007 . 1 . . . . 78 ILE H . 25400 1 908 . 1 1 78 78 ILE HA H 1 4.78 0.012 . 1 . . . . 78 ILE HA . 25400 1 909 . 1 1 78 78 ILE HB H 1 1.622 0.015 . 1 . . . . 78 ILE HB . 25400 1 910 . 1 1 78 78 ILE HG12 H 1 1.253 0.01 . 2 . . . . 78 ILE HG12 . 25400 1 911 . 1 1 78 78 ILE HG13 H 1 0.753 0.014 . 2 . . . . 78 ILE HG13 . 25400 1 912 . 1 1 78 78 ILE HG21 H 1 0.659 0.009 . 1 . . . . 78 ILE MG . 25400 1 913 . 1 1 78 78 ILE HG22 H 1 0.659 0.009 . 1 . . . . 78 ILE MG . 25400 1 914 . 1 1 78 78 ILE HG23 H 1 0.659 0.009 . 1 . . . . 78 ILE MG . 25400 1 915 . 1 1 78 78 ILE HD11 H 1 0.49 0.012 . 1 . . . . 78 ILE MD . 25400 1 916 . 1 1 78 78 ILE HD12 H 1 0.49 0.012 . 1 . . . . 78 ILE MD . 25400 1 917 . 1 1 78 78 ILE HD13 H 1 0.49 0.012 . 1 . . . . 78 ILE MD . 25400 1 918 . 1 1 78 78 ILE C C 13 174.177 0.043 . 1 . . . . 78 ILE C . 25400 1 919 . 1 1 78 78 ILE CA C 13 59.32 0.157 . 1 . . . . 78 ILE CA . 25400 1 920 . 1 1 78 78 ILE CB C 13 42.182 0.074 . 1 . . . . 78 ILE CB . 25400 1 921 . 1 1 78 78 ILE CG1 C 13 25.496 0.199 . 1 . . . . 78 ILE CG1 . 25400 1 922 . 1 1 78 78 ILE CG2 C 13 19.02 0.156 . 1 . . . . 78 ILE CG2 . 25400 1 923 . 1 1 78 78 ILE CD1 C 13 13.687 0.143 . 1 . . . . 78 ILE CD1 . 25400 1 924 . 1 1 78 78 ILE N N 15 115.723 0.06 . 1 . . . . 78 ILE N . 25400 1 925 . 1 1 79 79 LYS H H 1 7.881 0.005 . 1 . . . . 79 LYS H . 25400 1 926 . 1 1 79 79 LYS HA H 1 5.105 0.016 . 1 . . . . 79 LYS HA . 25400 1 927 . 1 1 79 79 LYS HB2 H 1 1.59 0.009 . 2 . . . . 79 LYS HB2 . 25400 1 928 . 1 1 79 79 LYS HB3 H 1 1.59 0.009 . 2 . . . . 79 LYS HB3 . 25400 1 929 . 1 1 79 79 LYS HG2 H 1 1.246 0.028 . 2 . . . . 79 LYS HG2 . 25400 1 930 . 1 1 79 79 LYS HG3 H 1 1.371 0.023 . 2 . . . . 79 LYS HG3 . 25400 1 931 . 1 1 79 79 LYS HD2 H 1 1.413 0.045 . 2 . . . . 79 LYS HD2 . 25400 1 932 . 1 1 79 79 LYS HD3 H 1 1.413 0.045 . 2 . . . . 79 LYS HD3 . 25400 1 933 . 1 1 79 79 LYS HE2 H 1 2.752 0.01 . 2 . . . . 79 LYS HE2 . 25400 1 934 . 1 1 79 79 LYS HE3 H 1 2.752 0.01 . 2 . . . . 79 LYS HE3 . 25400 1 935 . 1 1 79 79 LYS C C 13 177.793 0.034 . 1 . . . . 79 LYS C . 25400 1 936 . 1 1 79 79 LYS CA C 13 55.037 0.099 . 1 . . . . 79 LYS CA . 25400 1 937 . 1 1 79 79 LYS CB C 13 34.506 0.061 . 1 . . . . 79 LYS CB . 25400 1 938 . 1 1 79 79 LYS CG C 13 24.815 0.15 . 1 . . . . 79 LYS CG . 25400 1 939 . 1 1 79 79 LYS CD C 13 29.073 0 . 1 . . . . 79 LYS CD . 25400 1 940 . 1 1 79 79 LYS CE C 13 41.802 0 . 1 . . . . 79 LYS CE . 25400 1 941 . 1 1 79 79 LYS N N 15 121.103 0.069 . 1 . . . . 79 LYS N . 25400 1 942 . 1 1 80 80 SER H H 1 9.344 0.007 . 1 . . . . 80 SER H . 25400 1 943 . 1 1 80 80 SER HA H 1 5.374 0.014 . 1 . . . . 80 SER HA . 25400 1 944 . 1 1 80 80 SER HB2 H 1 3.271 0.008 . 2 . . . . 80 SER HB2 . 25400 1 945 . 1 1 80 80 SER HB3 H 1 3.271 0.008 . 2 . . . . 80 SER HB3 . 25400 1 946 . 1 1 80 80 SER C C 13 172.137 0.027 . 1 . . . . 80 SER C . 25400 1 947 . 1 1 80 80 SER CA C 13 57.458 0.064 . 1 . . . . 80 SER CA . 25400 1 948 . 1 1 80 80 SER CB C 13 66.778 0.13 . 1 . . . . 80 SER CB . 25400 1 949 . 1 1 80 80 SER N N 15 119.865 0.061 . 1 . . . . 80 SER N . 25400 1 950 . 1 1 81 81 PHE H H 1 9.548 0.006 . 1 . . . . 81 PHE H . 25400 1 951 . 1 1 81 81 PHE HA H 1 5.135 0.012 . 1 . . . . 81 PHE HA . 25400 1 952 . 1 1 81 81 PHE HB2 H 1 2.92 0.011 . 2 . . . . 81 PHE HB2 . 25400 1 953 . 1 1 81 81 PHE HB3 H 1 3.103 0.011 . 2 . . . . 81 PHE HB3 . 25400 1 954 . 1 1 81 81 PHE C C 13 174.605 0.027 . 1 . . . . 81 PHE C . 25400 1 955 . 1 1 81 81 PHE CA C 13 57.188 0.095 . 1 . . . . 81 PHE CA . 25400 1 956 . 1 1 81 81 PHE CB C 13 42.705 0.033 . 1 . . . . 81 PHE CB . 25400 1 957 . 1 1 81 81 PHE N N 15 130.609 0.035 . 1 . . . . 81 PHE N . 25400 1 958 . 1 1 82 82 THR H H 1 5.922 0.007 . 1 . . . . 82 THR H . 25400 1 959 . 1 1 82 82 THR HA H 1 4.918 0.012 . 1 . . . . 82 THR HA . 25400 1 960 . 1 1 82 82 THR HB H 1 3.492 0.017 . 1 . . . . 82 THR HB . 25400 1 961 . 1 1 82 82 THR HG21 H 1 0.64 0.01 . 1 . . . . 82 THR MG . 25400 1 962 . 1 1 82 82 THR HG22 H 1 0.64 0.01 . 1 . . . . 82 THR MG . 25400 1 963 . 1 1 82 82 THR HG23 H 1 0.64 0.01 . 1 . . . . 82 THR MG . 25400 1 964 . 1 1 82 82 THR C C 13 172.32 0.037 . 1 . . . . 82 THR C . 25400 1 965 . 1 1 82 82 THR CA C 13 63.003 0.057 . 1 . . . . 82 THR CA . 25400 1 966 . 1 1 82 82 THR CB C 13 68.979 0.235 . 1 . . . . 82 THR CB . 25400 1 967 . 1 1 82 82 THR CG2 C 13 22.51 0.165 . 1 . . . . 82 THR CG2 . 25400 1 968 . 1 1 82 82 THR N N 15 125.34 0.067 . 1 . . . . 82 THR N . 25400 1 969 . 1 1 83 83 LYS H H 1 9.276 0.006 . 1 . . . . 83 LYS H . 25400 1 970 . 1 1 83 83 LYS HA H 1 4.532 0.009 . 1 . . . . 83 LYS HA . 25400 1 971 . 1 1 83 83 LYS HB2 H 1 1.714 0.006 . 2 . . . . 83 LYS HB2 . 25400 1 972 . 1 1 83 83 LYS HB3 H 1 1.57 0.005 . 2 . . . . 83 LYS HB3 . 25400 1 973 . 1 1 83 83 LYS HG2 H 1 1.407 0.013 . 2 . . . . 83 LYS HG2 . 25400 1 974 . 1 1 83 83 LYS HG3 H 1 1.407 0.013 . 2 . . . . 83 LYS HG3 . 25400 1 975 . 1 1 83 83 LYS HD2 H 1 1.585 0.041 . 2 . . . . 83 LYS HD2 . 25400 1 976 . 1 1 83 83 LYS HD3 H 1 1.585 0.041 . 2 . . . . 83 LYS HD3 . 25400 1 977 . 1 1 83 83 LYS HE2 H 1 2.843 0.02 . 2 . . . . 83 LYS HE2 . 25400 1 978 . 1 1 83 83 LYS HE3 H 1 2.843 0.02 . 2 . . . . 83 LYS HE3 . 25400 1 979 . 1 1 83 83 LYS C C 13 173.516 0.087 . 1 . . . . 83 LYS C . 25400 1 980 . 1 1 83 83 LYS CA C 13 54.686 0.08 . 1 . . . . 83 LYS CA . 25400 1 981 . 1 1 83 83 LYS CB C 13 36.351 0.074 . 1 . . . . 83 LYS CB . 25400 1 982 . 1 1 83 83 LYS CG C 13 24.742 0.132 . 1 . . . . 83 LYS CG . 25400 1 983 . 1 1 83 83 LYS CD C 13 29.306 0.025 . 1 . . . . 83 LYS CD . 25400 1 984 . 1 1 83 83 LYS CE C 13 41.728 0.042 . 1 . . . . 83 LYS CE . 25400 1 985 . 1 1 83 83 LYS N N 15 125.657 0.057 . 1 . . . . 83 LYS N . 25400 1 986 . 1 1 84 84 LEU H H 1 8.428 0.005 . 1 . . . . 84 LEU H . 25400 1 987 . 1 1 84 84 LEU HA H 1 4.858 0.011 . 1 . . . . 84 LEU HA . 25400 1 988 . 1 1 84 84 LEU HB2 H 1 1.647 0.013 . 2 . . . . 84 LEU HB2 . 25400 1 989 . 1 1 84 84 LEU HB3 H 1 0.895 0.012 . 2 . . . . 84 LEU HB3 . 25400 1 990 . 1 1 84 84 LEU HG H 1 1.251 0.015 . 1 . . . . 84 LEU HG . 25400 1 991 . 1 1 84 84 LEU HD11 H 1 0.549 0.014 . 2 . . . . 84 LEU MD1 . 25400 1 992 . 1 1 84 84 LEU HD12 H 1 0.549 0.014 . 2 . . . . 84 LEU MD1 . 25400 1 993 . 1 1 84 84 LEU HD13 H 1 0.549 0.014 . 2 . . . . 84 LEU MD1 . 25400 1 994 . 1 1 84 84 LEU HD21 H 1 0.757 0.017 . 2 . . . . 84 LEU MD2 . 25400 1 995 . 1 1 84 84 LEU HD22 H 1 0.757 0.017 . 2 . . . . 84 LEU MD2 . 25400 1 996 . 1 1 84 84 LEU HD23 H 1 0.757 0.017 . 2 . . . . 84 LEU MD2 . 25400 1 997 . 1 1 84 84 LEU C C 13 175.367 0.038 . 1 . . . . 84 LEU C . 25400 1 998 . 1 1 84 84 LEU CA C 13 53.884 0.138 . 1 . . . . 84 LEU CA . 25400 1 999 . 1 1 84 84 LEU CB C 13 45.1 0.061 . 1 . . . . 84 LEU CB . 25400 1 1000 . 1 1 84 84 LEU CG C 13 27.296 0.149 . 1 . . . . 84 LEU CG . 25400 1 1001 . 1 1 84 84 LEU CD1 C 13 22.671 0.27 . 2 . . . . 84 LEU CD1 . 25400 1 1002 . 1 1 84 84 LEU CD2 C 13 25.802 0.187 . 2 . . . . 84 LEU CD2 . 25400 1 1003 . 1 1 84 84 LEU N N 15 124.797 0.054 . 1 . . . . 84 LEU N . 25400 1 1004 . 1 1 85 85 GLU H H 1 8.852 0.008 . 1 . . . . 85 GLU H . 25400 1 1005 . 1 1 85 85 GLU HA H 1 4.491 0.009 . 1 . . . . 85 GLU HA . 25400 1 1006 . 1 1 85 85 GLU HB2 H 1 1.777 0.041 . 2 . . . . 85 GLU HB2 . 25400 1 1007 . 1 1 85 85 GLU HB3 H 1 1.777 0.041 . 2 . . . . 85 GLU HB3 . 25400 1 1008 . 1 1 85 85 GLU HG2 H 1 1.989 0.006 . 2 . . . . 85 GLU HG2 . 25400 1 1009 . 1 1 85 85 GLU HG3 H 1 1.989 0.006 . 2 . . . . 85 GLU HG3 . 25400 1 1010 . 1 1 85 85 GLU C C 13 176.273 0.03 . 1 . . . . 85 GLU C . 25400 1 1011 . 1 1 85 85 GLU CA C 13 54.297 0.105 . 1 . . . . 85 GLU CA . 25400 1 1012 . 1 1 85 85 GLU CB C 13 30.704 0.288 . 1 . . . . 85 GLU CB . 25400 1 1013 . 1 1 85 85 GLU CG C 13 35.662 0.077 . 1 . . . . 85 GLU CG . 25400 1 1014 . 1 1 85 85 GLU N N 15 128.753 0.063 . 1 . . . . 85 GLU N . 25400 1 1015 . 1 1 86 86 GLY H H 1 8.709 0.005 . 1 . . . . 86 GLY H . 25400 1 1016 . 1 1 86 86 GLY HA2 H 1 3.46 0.008 . 2 . . . . 86 GLY HA2 . 25400 1 1017 . 1 1 86 86 GLY HA3 H 1 3.915 0.01 . 2 . . . . 86 GLY HA3 . 25400 1 1018 . 1 1 86 86 GLY C C 13 173.99 0.083 . 1 . . . . 86 GLY C . 25400 1 1019 . 1 1 86 86 GLY CA C 13 47.525 0.098 . 1 . . . . 86 GLY CA . 25400 1 1020 . 1 1 86 86 GLY N N 15 115.921 0.03 . 1 . . . . 86 GLY N . 25400 1 1021 . 1 1 87 87 SER H H 1 8.564 0.004 . 1 . . . . 87 SER H . 25400 1 1022 . 1 1 87 87 SER HA H 1 4.37 0.015 . 1 . . . . 87 SER HA . 25400 1 1023 . 1 1 87 87 SER HB2 H 1 4.107 0.014 . 2 . . . . 87 SER HB2 . 25400 1 1024 . 1 1 87 87 SER HB3 H 1 3.855 0.011 . 2 . . . . 87 SER HB3 . 25400 1 1025 . 1 1 87 87 SER C C 13 171.807 0.042 . 1 . . . . 87 SER C . 25400 1 1026 . 1 1 87 87 SER CA C 13 57.472 0.076 . 1 . . . . 87 SER CA . 25400 1 1027 . 1 1 87 87 SER CB C 13 63.387 0.063 . 1 . . . . 87 SER CB . 25400 1 1028 . 1 1 87 87 SER N N 15 122.488 0.036 . 1 . . . . 87 SER N . 25400 1 1029 . 1 1 88 88 LYS H H 1 7.77 0.016 . 1 . . . . 88 LYS H . 25400 1 1030 . 1 1 88 88 LYS HA H 1 5.433 0.013 . 1 . . . . 88 LYS HA . 25400 1 1031 . 1 1 88 88 LYS HB2 H 1 1.659 0.013 . 2 . . . . 88 LYS HB2 . 25400 1 1032 . 1 1 88 88 LYS HB3 H 1 1.732 0.002 . 2 . . . . 88 LYS HB3 . 25400 1 1033 . 1 1 88 88 LYS HG2 H 1 1.083 0.066 . 2 . . . . 88 LYS HG2 . 25400 1 1034 . 1 1 88 88 LYS HG3 H 1 1.083 0.066 . 2 . . . . 88 LYS HG3 . 25400 1 1035 . 1 1 88 88 LYS HD2 H 1 1.479 0.008 . 2 . . . . 88 LYS HD2 . 25400 1 1036 . 1 1 88 88 LYS HD3 H 1 1.479 0.008 . 2 . . . . 88 LYS HD3 . 25400 1 1037 . 1 1 88 88 LYS HE2 H 1 2.746 0.006 . 2 . . . . 88 LYS HE2 . 25400 1 1038 . 1 1 88 88 LYS HE3 H 1 2.746 0.006 . 2 . . . . 88 LYS HE3 . 25400 1 1039 . 1 1 88 88 LYS C C 13 174.091 0.018 . 1 . . . . 88 LYS C . 25400 1 1040 . 1 1 88 88 LYS CA C 13 54.521 0.1 . 1 . . . . 88 LYS CA . 25400 1 1041 . 1 1 88 88 LYS CB C 13 35.153 0.119 . 1 . . . . 88 LYS CB . 25400 1 1042 . 1 1 88 88 LYS CG C 13 24.984 0.027 . 1 . . . . 88 LYS CG . 25400 1 1043 . 1 1 88 88 LYS CD C 13 29.331 0.073 . 1 . . . . 88 LYS CD . 25400 1 1044 . 1 1 88 88 LYS N N 15 120.558 0.116 . 1 . . . . 88 LYS N . 25400 1 1045 . 1 1 89 89 LEU H H 1 8.888 0.021 . 1 . . . . 89 LEU H . 25400 1 1046 . 1 1 89 89 LEU HA H 1 4.863 0.011 . 1 . . . . 89 LEU HA . 25400 1 1047 . 1 1 89 89 LEU HB2 H 1 1.052 0.023 . 2 . . . . 89 LEU HB2 . 25400 1 1048 . 1 1 89 89 LEU HB3 H 1 1.575 0.037 . 2 . . . . 89 LEU HB3 . 25400 1 1049 . 1 1 89 89 LEU HG H 1 0.962 0.007 . 1 . . . . 89 LEU HG . 25400 1 1050 . 1 1 89 89 LEU HD11 H 1 -0.045 0.016 . 2 . . . . 89 LEU MD1 . 25400 1 1051 . 1 1 89 89 LEU HD12 H 1 -0.045 0.016 . 2 . . . . 89 LEU MD1 . 25400 1 1052 . 1 1 89 89 LEU HD13 H 1 -0.045 0.016 . 2 . . . . 89 LEU MD1 . 25400 1 1053 . 1 1 89 89 LEU C C 13 175.315 0.073 . 1 . . . . 89 LEU C . 25400 1 1054 . 1 1 89 89 LEU CA C 13 53.458 0.156 . 1 . . . . 89 LEU CA . 25400 1 1055 . 1 1 89 89 LEU CB C 13 45.861 0.053 . 1 . . . . 89 LEU CB . 25400 1 1056 . 1 1 89 89 LEU CG C 13 26.516 0.07 . 1 . . . . 89 LEU CG . 25400 1 1057 . 1 1 89 89 LEU CD1 C 13 24.68 0.051 . 2 . . . . 89 LEU CD1 . 25400 1 1058 . 1 1 89 89 LEU N N 15 126.689 0.16 . 1 . . . . 89 LEU N . 25400 1 1059 . 1 1 90 90 VAL H H 1 9.162 0.006 . 1 . . . . 90 VAL H . 25400 1 1060 . 1 1 90 90 VAL HA H 1 4.514 0.023 . 1 . . . . 90 VAL HA . 25400 1 1061 . 1 1 90 90 VAL HB H 1 1.797 0.013 . 1 . . . . 90 VAL HB . 25400 1 1062 . 1 1 90 90 VAL HG11 H 1 0.761 0.011 . 2 . . . . 90 VAL MG1 . 25400 1 1063 . 1 1 90 90 VAL HG12 H 1 0.761 0.011 . 2 . . . . 90 VAL MG1 . 25400 1 1064 . 1 1 90 90 VAL HG13 H 1 0.761 0.011 . 2 . . . . 90 VAL MG1 . 25400 1 1065 . 1 1 90 90 VAL C C 13 174.847 0.031 . 1 . . . . 90 VAL C . 25400 1 1066 . 1 1 90 90 VAL CA C 13 62.009 0.066 . 1 . . . . 90 VAL CA . 25400 1 1067 . 1 1 90 90 VAL CB C 13 33.843 0.203 . 1 . . . . 90 VAL CB . 25400 1 1068 . 1 1 90 90 VAL CG1 C 13 20.708 0.187 . 2 . . . . 90 VAL CG1 . 25400 1 1069 . 1 1 90 90 VAL N N 15 127.573 0.086 . 1 . . . . 90 VAL N . 25400 1 1070 . 1 1 91 91 VAL H H 1 9.412 0.007 . 1 . . . . 91 VAL H . 25400 1 1071 . 1 1 91 91 VAL HA H 1 4.878 0.012 . 1 . . . . 91 VAL HA . 25400 1 1072 . 1 1 91 91 VAL HB H 1 1.979 0.009 . 1 . . . . 91 VAL HB . 25400 1 1073 . 1 1 91 91 VAL HG11 H 1 0.698 0.013 . 2 . . . . 91 VAL MG1 . 25400 1 1074 . 1 1 91 91 VAL HG12 H 1 0.698 0.013 . 2 . . . . 91 VAL MG1 . 25400 1 1075 . 1 1 91 91 VAL HG13 H 1 0.698 0.013 . 2 . . . . 91 VAL MG1 . 25400 1 1076 . 1 1 91 91 VAL C C 13 176.423 0.052 . 1 . . . . 91 VAL C . 25400 1 1077 . 1 1 91 91 VAL CA C 13 60.615 0.072 . 1 . . . . 91 VAL CA . 25400 1 1078 . 1 1 91 91 VAL CB C 13 34.242 0.104 . 1 . . . . 91 VAL CB . 25400 1 1079 . 1 1 91 91 VAL CG1 C 13 21.812 0.19 . 2 . . . . 91 VAL CG1 . 25400 1 1080 . 1 1 91 91 VAL N N 15 127.437 0.062 . 1 . . . . 91 VAL N . 25400 1 1081 . 1 1 92 92 ASN H H 1 9.483 0.011 . 1 . . . . 92 ASN H . 25400 1 1082 . 1 1 92 92 ASN HA H 1 5.302 0.021 . 1 . . . . 92 ASN HA . 25400 1 1083 . 1 1 92 92 ASN HB2 H 1 2.884 0.045 . 2 . . . . 92 ASN HB2 . 25400 1 1084 . 1 1 92 92 ASN HB3 H 1 2.884 . . 2 . . . . 92 ASN HB3 . 25400 1 1085 . 1 1 92 92 ASN HD21 H 1 7.452 0.008 . 2 . . . . 92 ASN HD21 . 25400 1 1086 . 1 1 92 92 ASN HD22 H 1 6.67 0.01 . 2 . . . . 92 ASN HD22 . 25400 1 1087 . 1 1 92 92 ASN C C 13 175.444 0.054 . 1 . . . . 92 ASN C . 25400 1 1088 . 1 1 92 92 ASN CA C 13 52.875 0.092 . 1 . . . . 92 ASN CA . 25400 1 1089 . 1 1 92 92 ASN CB C 13 40.181 0.183 . 1 . . . . 92 ASN CB . 25400 1 1090 . 1 1 92 92 ASN N N 15 130.223 0.131 . 1 . . . . 92 ASN N . 25400 1 1091 . 1 1 92 92 ASN ND2 N 15 111.501 0.034 . 1 . . . . 92 ASN ND2 . 25400 1 1092 . 1 1 93 93 SER H H 1 9.034 0.013 . 1 . . . . 93 SER H . 25400 1 1093 . 1 1 93 93 SER HA H 1 6.181 0.01 . 1 . . . . 93 SER HA . 25400 1 1094 . 1 1 93 93 SER HB2 H 1 3.712 0.01 . 2 . . . . 93 SER HB2 . 25400 1 1095 . 1 1 93 93 SER HB3 H 1 3.136 0.023 . 2 . . . . 93 SER HB3 . 25400 1 1096 . 1 1 93 93 SER C C 13 172.145 0.013 . 1 . . . . 93 SER C . 25400 1 1097 . 1 1 93 93 SER CA C 13 57.951 0.069 . 1 . . . . 93 SER CA . 25400 1 1098 . 1 1 93 93 SER CB C 13 67.248 0.141 . 1 . . . . 93 SER CB . 25400 1 1099 . 1 1 93 93 SER N N 15 119.722 0.053 . 1 . . . . 93 SER N . 25400 1 1100 . 1 1 94 94 GLU H H 1 8.642 0.013 . 1 . . . . 94 GLU H . 25400 1 1101 . 1 1 94 94 GLU HA H 1 5.175 0.012 . 1 . . . . 94 GLU HA . 25400 1 1102 . 1 1 94 94 GLU HB2 H 1 1.788 0.01 . 2 . . . . 94 GLU HB2 . 25400 1 1103 . 1 1 94 94 GLU HB3 H 1 1.788 . . 2 . . . . 94 GLU HB3 . 25400 1 1104 . 1 1 94 94 GLU HG2 H 1 1.956 0.003 . 2 . . . . 94 GLU HG2 . 25400 1 1105 . 1 1 94 94 GLU HG3 H 1 1.956 . . 2 . . . . 94 GLU HG3 . 25400 1 1106 . 1 1 94 94 GLU C C 13 176.359 0.022 . 1 . . . . 94 GLU C . 25400 1 1107 . 1 1 94 94 GLU CA C 13 54.781 0.052 . 1 . . . . 94 GLU CA . 25400 1 1108 . 1 1 94 94 GLU CB C 13 34.332 0.17 . 1 . . . . 94 GLU CB . 25400 1 1109 . 1 1 94 94 GLU CG C 13 35.828 0.067 . 1 . . . . 94 GLU CG . 25400 1 1110 . 1 1 94 94 GLU N N 15 121.544 0.04 . 1 . . . . 94 GLU N . 25400 1 1111 . 1 1 95 95 LEU H H 1 8.769 0.017 . 1 . . . . 95 LEU H . 25400 1 1112 . 1 1 95 95 LEU HA H 1 4.641 0.001 . 1 . . . . 95 LEU HA . 25400 1 1113 . 1 1 95 95 LEU HB2 H 1 1.525 0.004 . 2 . . . . 95 LEU HB2 . 25400 1 1114 . 1 1 95 95 LEU HB3 H 1 1.525 . . 2 . . . . 95 LEU HB3 . 25400 1 1115 . 1 1 95 95 LEU HG H 1 1.257 0.007 . 1 . . . . 95 LEU HG . 25400 1 1116 . 1 1 95 95 LEU HD11 H 1 0.775 0.018 . 2 . . . . 95 LEU MD1 . 25400 1 1117 . 1 1 95 95 LEU HD12 H 1 0.775 0.018 . 2 . . . . 95 LEU MD1 . 25400 1 1118 . 1 1 95 95 LEU HD13 H 1 0.775 0.018 . 2 . . . . 95 LEU MD1 . 25400 1 1119 . 1 1 95 95 LEU HD21 H 1 0.431 0.018 . 2 . . . . 95 LEU MD2 . 25400 1 1120 . 1 1 95 95 LEU HD22 H 1 0.431 0.018 . 2 . . . . 95 LEU MD2 . 25400 1 1121 . 1 1 95 95 LEU HD23 H 1 0.431 0.018 . 2 . . . . 95 LEU MD2 . 25400 1 1122 . 1 1 95 95 LEU C C 13 177.418 0 . 1 . . . . 95 LEU C . 25400 1 1123 . 1 1 95 95 LEU CA C 13 53.727 0.058 . 1 . . . . 95 LEU CA . 25400 1 1124 . 1 1 95 95 LEU CB C 13 42.434 0 . 1 . . . . 95 LEU CB . 25400 1 1125 . 1 1 95 95 LEU N N 15 126.952 0.154 . 1 . . . . 95 LEU N . 25400 1 1126 . 1 1 96 96 PRO HA H 1 4.226 0.008 . 1 . . . . 96 PRO HA . 25400 1 1127 . 1 1 96 96 PRO HB2 H 1 2.297 0.016 . 2 . . . . 96 PRO HB2 . 25400 1 1128 . 1 1 96 96 PRO HB3 H 1 1.829 0.024 . 2 . . . . 96 PRO HB3 . 25400 1 1129 . 1 1 96 96 PRO HG2 H 1 2.069 0.003 . 2 . . . . 96 PRO HG2 . 25400 1 1130 . 1 1 96 96 PRO HG3 H 1 2.011 0.019 . 2 . . . . 96 PRO HG3 . 25400 1 1131 . 1 1 96 96 PRO HD2 H 1 4.027 0.009 . 2 . . . . 96 PRO HD2 . 25400 1 1132 . 1 1 96 96 PRO HD3 H 1 3.709 0.014 . 2 . . . . 96 PRO HD3 . 25400 1 1133 . 1 1 96 96 PRO C C 13 176.828 0.011 . 1 . . . . 96 PRO C . 25400 1 1134 . 1 1 96 96 PRO CA C 13 65.314 0.092 . 1 . . . . 96 PRO CA . 25400 1 1135 . 1 1 96 96 PRO CB C 13 31.613 0.082 . 1 . . . . 96 PRO CB . 25400 1 1136 . 1 1 96 96 PRO CG C 13 27.664 0.104 . 1 . . . . 96 PRO CG . 25400 1 1137 . 1 1 96 96 PRO CD C 13 50.884 0.089 . 1 . . . . 96 PRO CD . 25400 1 1138 . 1 1 97 97 ASP H H 1 7.119 0.004 . 1 . . . . 97 ASP H . 25400 1 1139 . 1 1 97 97 ASP HA H 1 4.352 0.007 . 1 . . . . 97 ASP HA . 25400 1 1140 . 1 1 97 97 ASP HB2 H 1 2.413 0.016 . 2 . . . . 97 ASP HB2 . 25400 1 1141 . 1 1 97 97 ASP HB3 H 1 2.939 0.01 . 2 . . . . 97 ASP HB3 . 25400 1 1142 . 1 1 97 97 ASP C C 13 177.155 0.041 . 1 . . . . 97 ASP C . 25400 1 1143 . 1 1 97 97 ASP CA C 13 53.309 0.044 . 1 . . . . 97 ASP CA . 25400 1 1144 . 1 1 97 97 ASP CB C 13 40.273 0.072 . 1 . . . . 97 ASP CB . 25400 1 1145 . 1 1 97 97 ASP N N 15 112.194 0.056 . 1 . . . . 97 ASP N . 25400 1 1146 . 1 1 98 98 GLY H H 1 8.128 0.007 . 1 . . . . 98 GLY H . 25400 1 1147 . 1 1 98 98 GLY HA2 H 1 4.268 0.069 . 2 . . . . 98 GLY HA2 . 25400 1 1148 . 1 1 98 98 GLY HA3 H 1 3.614 0.025 . 2 . . . . 98 GLY HA3 . 25400 1 1149 . 1 1 98 98 GLY C C 13 175.225 0.023 . 1 . . . . 98 GLY C . 25400 1 1150 . 1 1 98 98 GLY CA C 13 44.709 0.122 . 1 . . . . 98 GLY CA . 25400 1 1151 . 1 1 98 98 GLY N N 15 108.647 0.03 . 1 . . . . 98 GLY N . 25400 1 1152 . 1 1 99 99 ARG H H 1 7.77 0.004 . 1 . . . . 99 ARG H . 25400 1 1153 . 1 1 99 99 ARG HA H 1 4.011 0.01 . 1 . . . . 99 ARG HA . 25400 1 1154 . 1 1 99 99 ARG HB2 H 1 1.51 0.021 . 2 . . . . 99 ARG HB2 . 25400 1 1155 . 1 1 99 99 ARG HB3 H 1 1.872 0.024 . 2 . . . . 99 ARG HB3 . 25400 1 1156 . 1 1 99 99 ARG HG2 H 1 1.543 0.017 . 2 . . . . 99 ARG HG2 . 25400 1 1157 . 1 1 99 99 ARG HG3 H 1 1.543 . . 2 . . . . 99 ARG HG3 . 25400 1 1158 . 1 1 99 99 ARG HD2 H 1 2.771 0.011 . 2 . . . . 99 ARG HD2 . 25400 1 1159 . 1 1 99 99 ARG HD3 H 1 3.1 0.007 . 2 . . . . 99 ARG HD3 . 25400 1 1160 . 1 1 99 99 ARG C C 13 175.315 0.029 . 1 . . . . 99 ARG C . 25400 1 1161 . 1 1 99 99 ARG CA C 13 58.327 0.093 . 1 . . . . 99 ARG CA . 25400 1 1162 . 1 1 99 99 ARG CB C 13 31.753 0.1 . 1 . . . . 99 ARG CB . 25400 1 1163 . 1 1 99 99 ARG CG C 13 27.487 0.151 . 1 . . . . 99 ARG CG . 25400 1 1164 . 1 1 99 99 ARG CD C 13 44.053 0.106 . 1 . . . . 99 ARG CD . 25400 1 1165 . 1 1 99 99 ARG N N 15 121.421 0.032 . 1 . . . . 99 ARG N . 25400 1 1166 . 1 1 100 100 LYS H H 1 7.953 0.005 . 1 . . . . 100 LYS H . 25400 1 1167 . 1 1 100 100 LYS HA H 1 5.201 0.016 . 1 . . . . 100 LYS HA . 25400 1 1168 . 1 1 100 100 LYS HB2 H 1 1.864 0.016 . 2 . . . . 100 LYS HB2 . 25400 1 1169 . 1 1 100 100 LYS HB3 H 1 1.556 0.013 . 2 . . . . 100 LYS HB3 . 25400 1 1170 . 1 1 100 100 LYS HG2 H 1 1.257 0.014 . 2 . . . . 100 LYS HG2 . 25400 1 1171 . 1 1 100 100 LYS HG3 H 1 1.257 0.014 . 2 . . . . 100 LYS HG3 . 25400 1 1172 . 1 1 100 100 LYS HD2 H 1 1.494 0.002 . 2 . . . . 100 LYS HD2 . 25400 1 1173 . 1 1 100 100 LYS HD3 H 1 1.494 0.002 . 2 . . . . 100 LYS HD3 . 25400 1 1174 . 1 1 100 100 LYS HE2 H 1 2.819 0.01 . 2 . . . . 100 LYS HE2 . 25400 1 1175 . 1 1 100 100 LYS HE3 H 1 2.819 0.01 . 2 . . . . 100 LYS HE3 . 25400 1 1176 . 1 1 100 100 LYS C C 13 176.751 0.017 . 1 . . . . 100 LYS C . 25400 1 1177 . 1 1 100 100 LYS CA C 13 54.825 0.137 . 1 . . . . 100 LYS CA . 25400 1 1178 . 1 1 100 100 LYS CB C 13 36.725 0.087 . 1 . . . . 100 LYS CB . 25400 1 1179 . 1 1 100 100 LYS CG C 13 24.821 0 . 1 . . . . 100 LYS CG . 25400 1 1180 . 1 1 100 100 LYS CD C 13 29.292 0.092 . 1 . . . . 100 LYS CD . 25400 1 1181 . 1 1 100 100 LYS CE C 13 42.254 0 . 1 . . . . 100 LYS CE . 25400 1 1182 . 1 1 100 100 LYS N N 15 118.898 0.065 . 1 . . . . 100 LYS N . 25400 1 1183 . 1 1 101 101 GLY H H 1 8.281 0.009 . 1 . . . . 101 GLY H . 25400 1 1184 . 1 1 101 101 GLY HA2 H 1 4.566 0.016 . 2 . . . . 101 GLY HA2 . 25400 1 1185 . 1 1 101 101 GLY HA3 H 1 3.893 0.009 . 2 . . . . 101 GLY HA3 . 25400 1 1186 . 1 1 101 101 GLY C C 13 172.209 0.019 . 1 . . . . 101 GLY C . 25400 1 1187 . 1 1 101 101 GLY CA C 13 45.356 0.124 . 1 . . . . 101 GLY CA . 25400 1 1188 . 1 1 101 101 GLY N N 15 106.938 0.068 . 1 . . . . 101 GLY N . 25400 1 1189 . 1 1 102 102 THR H H 1 8.303 0.003 . 1 . . . . 102 THR H . 25400 1 1190 . 1 1 102 102 THR HA H 1 5.432 0.015 . 1 . . . . 102 THR HA . 25400 1 1191 . 1 1 102 102 THR HB H 1 3.833 0.013 . 1 . . . . 102 THR HB . 25400 1 1192 . 1 1 102 102 THR HG21 H 1 1.064 0.008 . 1 . . . . 102 THR MG . 25400 1 1193 . 1 1 102 102 THR HG22 H 1 1.064 0.008 . 1 . . . . 102 THR MG . 25400 1 1194 . 1 1 102 102 THR HG23 H 1 1.064 0.008 . 1 . . . . 102 THR MG . 25400 1 1195 . 1 1 102 102 THR C C 13 174.172 0.046 . 1 . . . . 102 THR C . 25400 1 1196 . 1 1 102 102 THR CA C 13 60.904 0.28 . 1 . . . . 102 THR CA . 25400 1 1197 . 1 1 102 102 THR CB C 13 72.791 0.218 . 1 . . . . 102 THR CB . 25400 1 1198 . 1 1 102 102 THR CG2 C 13 22.119 0.038 . 1 . . . . 102 THR CG2 . 25400 1 1199 . 1 1 102 102 THR N N 15 112.234 0.049 . 1 . . . . 102 THR N . 25400 1 1200 . 1 1 103 103 ARG H H 1 9 0.009 . 1 . . . . 103 ARG H . 25400 1 1201 . 1 1 103 103 ARG HA H 1 4.95 0.013 . 1 . . . . 103 ARG HA . 25400 1 1202 . 1 1 103 103 ARG HB2 H 1 1.048 0.028 . 2 . . . . 103 ARG HB2 . 25400 1 1203 . 1 1 103 103 ARG HB3 H 1 1.575 0.036 . 2 . . . . 103 ARG HB3 . 25400 1 1204 . 1 1 103 103 ARG HG2 H 1 0.728 0.004 . 2 . . . . 103 ARG HG2 . 25400 1 1205 . 1 1 103 103 ARG HG3 H 1 0.728 0.004 . 2 . . . . 103 ARG HG3 . 25400 1 1206 . 1 1 103 103 ARG C C 13 173.738 0.051 . 1 . . . . 103 ARG C . 25400 1 1207 . 1 1 103 103 ARG CA C 13 54.525 0.184 . 1 . . . . 103 ARG CA . 25400 1 1208 . 1 1 103 103 ARG CB C 13 34.776 0.071 . 1 . . . . 103 ARG CB . 25400 1 1209 . 1 1 103 103 ARG N N 15 123.267 0.117 . 1 . . . . 103 ARG N . 25400 1 1210 . 1 1 104 104 THR H H 1 8.686 0.009 . 1 . . . . 104 THR H . 25400 1 1211 . 1 1 104 104 THR HA H 1 5.079 0.042 . 1 . . . . 104 THR HA . 25400 1 1212 . 1 1 104 104 THR HB H 1 3.736 0.023 . 1 . . . . 104 THR HB . 25400 1 1213 . 1 1 104 104 THR HG21 H 1 0.742 0.002 . 1 . . . . 104 THR MG . 25400 1 1214 . 1 1 104 104 THR HG22 H 1 0.742 0.002 . 1 . . . . 104 THR MG . 25400 1 1215 . 1 1 104 104 THR HG23 H 1 0.742 0.002 . 1 . . . . 104 THR MG . 25400 1 1216 . 1 1 104 104 THR C C 13 173.147 0.038 . 1 . . . . 104 THR C . 25400 1 1217 . 1 1 104 104 THR CA C 13 60.974 0.236 . 1 . . . . 104 THR CA . 25400 1 1218 . 1 1 104 104 THR CB C 13 70.712 0.079 . 1 . . . . 104 THR CB . 25400 1 1219 . 1 1 104 104 THR N N 15 117.235 0.055 . 1 . . . . 104 THR N . 25400 1 1220 . 1 1 105 105 TYR H H 1 9.603 0.01 . 1 . . . . 105 TYR H . 25400 1 1221 . 1 1 105 105 TYR HA H 1 4.454 0.032 . 1 . . . . 105 TYR HA . 25400 1 1222 . 1 1 105 105 TYR HB2 H 1 2.934 0.009 . 2 . . . . 105 TYR HB2 . 25400 1 1223 . 1 1 105 105 TYR HB3 H 1 2.934 0.009 . 2 . . . . 105 TYR HB3 . 25400 1 1224 . 1 1 105 105 TYR C C 13 174.106 0.027 . 1 . . . . 105 TYR C . 25400 1 1225 . 1 1 105 105 TYR CA C 13 56.323 0.12 . 1 . . . . 105 TYR CA . 25400 1 1226 . 1 1 105 105 TYR CB C 13 40.206 0.088 . 1 . . . . 105 TYR CB . 25400 1 1227 . 1 1 105 105 TYR N N 15 126.882 0.069 . 1 . . . . 105 TYR N . 25400 1 1228 . 1 1 106 106 GLU H H 1 8.641 0.012 . 1 . . . . 106 GLU H . 25400 1 1229 . 1 1 106 106 GLU HA H 1 4.694 0.016 . 1 . . . . 106 GLU HA . 25400 1 1230 . 1 1 106 106 GLU HB2 H 1 1.956 0.012 . 2 . . . . 106 GLU HB2 . 25400 1 1231 . 1 1 106 106 GLU HB3 H 1 1.956 0.012 . 2 . . . . 106 GLU HB3 . 25400 1 1232 . 1 1 106 106 GLU HG2 H 1 2.316 0 . 2 . . . . 106 GLU HG2 . 25400 1 1233 . 1 1 106 106 GLU HG3 H 1 2.316 0 . 2 . . . . 106 GLU HG3 . 25400 1 1234 . 1 1 106 106 GLU C C 13 176.17 0.018 . 1 . . . . 106 GLU C . 25400 1 1235 . 1 1 106 106 GLU CA C 13 55.232 0.14 . 1 . . . . 106 GLU CA . 25400 1 1236 . 1 1 106 106 GLU CB C 13 31.499 0.201 . 1 . . . . 106 GLU CB . 25400 1 1237 . 1 1 106 106 GLU CG C 13 35.891 0 . 1 . . . . 106 GLU CG . 25400 1 1238 . 1 1 106 106 GLU N N 15 122.845 0.177 . 1 . . . . 106 GLU N . 25400 1 1239 . 1 1 107 107 PHE H H 1 8.719 0.012 . 1 . . . . 107 PHE H . 25400 1 1240 . 1 1 107 107 PHE HA H 1 4.805 0.02 . 1 . . . . 107 PHE HA . 25400 1 1241 . 1 1 107 107 PHE HB2 H 1 2.735 0.013 . 2 . . . . 107 PHE HB2 . 25400 1 1242 . 1 1 107 107 PHE HB3 H 1 2.735 0.013 . 2 . . . . 107 PHE HB3 . 25400 1 1243 . 1 1 107 107 PHE C C 13 175.036 0.033 . 1 . . . . 107 PHE C . 25400 1 1244 . 1 1 107 107 PHE CA C 13 58.564 0.264 . 1 . . . . 107 PHE CA . 25400 1 1245 . 1 1 107 107 PHE CB C 13 41.537 0.096 . 1 . . . . 107 PHE CB . 25400 1 1246 . 1 1 107 107 PHE N N 15 126.242 0.132 . 1 . . . . 107 PHE N . 25400 1 1247 . 1 1 108 108 CYS H H 1 9.244 0.006 . 1 . . . . 108 CYS H . 25400 1 1248 . 1 1 108 108 CYS HA H 1 4.932 0.015 . 1 . . . . 108 CYS HA . 25400 1 1249 . 1 1 108 108 CYS HB2 H 1 3.171 0.023 . 2 . . . . 108 CYS HB2 . 25400 1 1250 . 1 1 108 108 CYS HB3 H 1 3.171 0.023 . 2 . . . . 108 CYS HB3 . 25400 1 1251 . 1 1 108 108 CYS C C 13 174.54 0.057 . 1 . . . . 108 CYS C . 25400 1 1252 . 1 1 108 108 CYS CA C 13 56.369 0.029 . 1 . . . . 108 CYS CA . 25400 1 1253 . 1 1 108 108 CYS CB C 13 30.777 0.095 . 1 . . . . 108 CYS CB . 25400 1 1254 . 1 1 108 108 CYS N N 15 115.996 0.058 . 1 . . . . 108 CYS N . 25400 1 1255 . 1 1 109 109 ASP H H 1 9.031 0.005 . 1 . . . . 109 ASP H . 25400 1 1256 . 1 1 109 109 ASP HA H 1 4.482 0.091 . 1 . . . . 109 ASP HA . 25400 1 1257 . 1 1 109 109 ASP HB2 H 1 2.657 0.014 . 2 . . . . 109 ASP HB2 . 25400 1 1258 . 1 1 109 109 ASP HB3 H 1 2.657 0.014 . 2 . . . . 109 ASP HB3 . 25400 1 1259 . 1 1 109 109 ASP C C 13 178.668 0.03 . 1 . . . . 109 ASP C . 25400 1 1260 . 1 1 109 109 ASP CA C 13 58.385 0.042 . 1 . . . . 109 ASP CA . 25400 1 1261 . 1 1 109 109 ASP CB C 13 39.977 0.123 . 1 . . . . 109 ASP CB . 25400 1 1262 . 1 1 109 109 ASP N N 15 121.422 0.047 . 1 . . . . 109 ASP N . 25400 1 1263 . 1 1 110 110 LYS H H 1 8.165 0.008 . 1 . . . . 110 LYS H . 25400 1 1264 . 1 1 110 110 LYS HA H 1 4.301 0.037 . 1 . . . . 110 LYS HA . 25400 1 1265 . 1 1 110 110 LYS HB2 H 1 1.838 0.031 . 2 . . . . 110 LYS HB2 . 25400 1 1266 . 1 1 110 110 LYS HB3 H 1 1.838 0.031 . 2 . . . . 110 LYS HB3 . 25400 1 1267 . 1 1 110 110 LYS HG2 H 1 1.423 0.013 . 2 . . . . 110 LYS HG2 . 25400 1 1268 . 1 1 110 110 LYS HG3 H 1 1.423 0.013 . 2 . . . . 110 LYS HG3 . 25400 1 1269 . 1 1 110 110 LYS HD2 H 1 1.574 0.005 . 2 . . . . 110 LYS HD2 . 25400 1 1270 . 1 1 110 110 LYS HD3 H 1 1.574 0.005 . 2 . . . . 110 LYS HD3 . 25400 1 1271 . 1 1 110 110 LYS C C 13 177.665 0.046 . 1 . . . . 110 LYS C . 25400 1 1272 . 1 1 110 110 LYS CA C 13 57.593 0.211 . 1 . . . . 110 LYS CA . 25400 1 1273 . 1 1 110 110 LYS CB C 13 33.498 0.204 . 1 . . . . 110 LYS CB . 25400 1 1274 . 1 1 110 110 LYS CG C 13 25.201 0.125 . 1 . . . . 110 LYS CG . 25400 1 1275 . 1 1 110 110 LYS CD C 13 29.065 0.183 . 1 . . . . 110 LYS CD . 25400 1 1276 . 1 1 110 110 LYS N N 15 117.715 0.069 . 1 . . . . 110 LYS N . 25400 1 1277 . 1 1 111 111 GLY H H 1 7.667 0.014 . 1 . . . . 111 GLY H . 25400 1 1278 . 1 1 111 111 GLY HA2 H 1 5.014 0.021 . 2 . . . . 111 GLY HA2 . 25400 1 1279 . 1 1 111 111 GLY HA3 H 1 3.894 0.012 . 2 . . . . 111 GLY HA3 . 25400 1 1280 . 1 1 111 111 GLY C C 13 170.238 0.022 . 1 . . . . 111 GLY C . 25400 1 1281 . 1 1 111 111 GLY CA C 13 46.947 0.172 . 1 . . . . 111 GLY CA . 25400 1 1282 . 1 1 111 111 GLY N N 15 107.355 0.093 . 1 . . . . 111 GLY N . 25400 1 1283 . 1 1 112 112 PHE H H 1 8.078 0.006 . 1 . . . . 112 PHE H . 25400 1 1284 . 1 1 112 112 PHE HA H 1 5.321 0.027 . 1 . . . . 112 PHE HA . 25400 1 1285 . 1 1 112 112 PHE HB2 H 1 2.145 0.024 . 2 . . . . 112 PHE HB2 . 25400 1 1286 . 1 1 112 112 PHE HB3 H 1 1.626 0.012 . 2 . . . . 112 PHE HB3 . 25400 1 1287 . 1 1 112 112 PHE C C 13 172.139 0.036 . 1 . . . . 112 PHE C . 25400 1 1288 . 1 1 112 112 PHE CA C 13 56.586 0.101 . 1 . . . . 112 PHE CA . 25400 1 1289 . 1 1 112 112 PHE CB C 13 41.428 0.037 . 1 . . . . 112 PHE CB . 25400 1 1290 . 1 1 112 112 PHE N N 15 115.812 0.037 . 1 . . . . 112 PHE N . 25400 1 1291 . 1 1 113 113 VAL H H 1 7.946 0.009 . 1 . . . . 113 VAL H . 25400 1 1292 . 1 1 113 113 VAL HA H 1 4.357 0.024 . 1 . . . . 113 VAL HA . 25400 1 1293 . 1 1 113 113 VAL HB H 1 1.675 0.032 . 1 . . . . 113 VAL HB . 25400 1 1294 . 1 1 113 113 VAL HG11 H 1 0.67 0.037 . 2 . . . . 113 VAL MG1 . 25400 1 1295 . 1 1 113 113 VAL HG12 H 1 0.67 0.037 . 2 . . . . 113 VAL MG1 . 25400 1 1296 . 1 1 113 113 VAL HG13 H 1 0.67 0.037 . 2 . . . . 113 VAL MG1 . 25400 1 1297 . 1 1 113 113 VAL HG21 H 1 0.267 0.014 . 2 . . . . 113 VAL MG2 . 25400 1 1298 . 1 1 113 113 VAL HG22 H 1 0.267 0.014 . 2 . . . . 113 VAL MG2 . 25400 1 1299 . 1 1 113 113 VAL HG23 H 1 0.267 0.014 . 2 . . . . 113 VAL MG2 . 25400 1 1300 . 1 1 113 113 VAL C C 13 174.768 0.044 . 1 . . . . 113 VAL C . 25400 1 1301 . 1 1 113 113 VAL CA C 13 60.676 0.074 . 1 . . . . 113 VAL CA . 25400 1 1302 . 1 1 113 113 VAL CB C 13 34.323 0.033 . 1 . . . . 113 VAL CB . 25400 1 1303 . 1 1 113 113 VAL CG1 C 13 21.823 0.166 . 2 . . . . 113 VAL CG1 . 25400 1 1304 . 1 1 113 113 VAL CG2 C 13 19.847 0.149 . 2 . . . . 113 VAL CG2 . 25400 1 1305 . 1 1 113 113 VAL N N 15 118.84 0.047 . 1 . . . . 113 VAL N . 25400 1 1306 . 1 1 114 114 LEU H H 1 9.11 0.006 . 1 . . . . 114 LEU H . 25400 1 1307 . 1 1 114 114 LEU HA H 1 5.018 0.018 . 1 . . . . 114 LEU HA . 25400 1 1308 . 1 1 114 114 LEU HB2 H 1 1.506 0.016 . 2 . . . . 114 LEU HB2 . 25400 1 1309 . 1 1 114 114 LEU HB3 H 1 0.915 0.013 . 2 . . . . 114 LEU HB3 . 25400 1 1310 . 1 1 114 114 LEU HG H 1 0.368 0.019 . 1 . . . . 114 LEU HG . 25400 1 1311 . 1 1 114 114 LEU HD11 H 1 0.794 0.011 . 2 . . . . 114 LEU MD1 . 25400 1 1312 . 1 1 114 114 LEU HD12 H 1 0.794 0.011 . 2 . . . . 114 LEU MD1 . 25400 1 1313 . 1 1 114 114 LEU HD13 H 1 0.794 0.011 . 2 . . . . 114 LEU MD1 . 25400 1 1314 . 1 1 114 114 LEU HD21 H 1 -0.472 0.033 . 2 . . . . 114 LEU MD2 . 25400 1 1315 . 1 1 114 114 LEU HD22 H 1 -0.472 0.033 . 2 . . . . 114 LEU MD2 . 25400 1 1316 . 1 1 114 114 LEU HD23 H 1 -0.472 0.033 . 2 . . . . 114 LEU MD2 . 25400 1 1317 . 1 1 114 114 LEU C C 13 174.47 0.053 . 1 . . . . 114 LEU C . 25400 1 1318 . 1 1 114 114 LEU CA C 13 52.141 0.102 . 1 . . . . 114 LEU CA . 25400 1 1319 . 1 1 114 114 LEU CB C 13 44.349 0.077 . 1 . . . . 114 LEU CB . 25400 1 1320 . 1 1 114 114 LEU CG C 13 25.82 0.1 . 1 . . . . 114 LEU CG . 25400 1 1321 . 1 1 114 114 LEU CD1 C 13 20.934 0.006 . 2 . . . . 114 LEU CD1 . 25400 1 1322 . 1 1 114 114 LEU CD2 C 13 20.98 0.182 . 2 . . . . 114 LEU CD2 . 25400 1 1323 . 1 1 114 114 LEU N N 15 133.909 0.251 . 1 . . . . 114 LEU N . 25400 1 1324 . 1 1 115 115 THR H H 1 8.761 0.007 . 1 . . . . 115 THR H . 25400 1 1325 . 1 1 115 115 THR HA H 1 4.673 0.019 . 1 . . . . 115 THR HA . 25400 1 1326 . 1 1 115 115 THR HB H 1 3.724 0.02 . 1 . . . . 115 THR HB . 25400 1 1327 . 1 1 115 115 THR HG21 H 1 0.9 0.028 . 1 . . . . 115 THR MG . 25400 1 1328 . 1 1 115 115 THR HG22 H 1 0.9 0.028 . 1 . . . . 115 THR MG . 25400 1 1329 . 1 1 115 115 THR HG23 H 1 0.9 0.028 . 1 . . . . 115 THR MG . 25400 1 1330 . 1 1 115 115 THR C C 13 173.982 0.022 . 1 . . . . 115 THR C . 25400 1 1331 . 1 1 115 115 THR CA C 13 62.052 0.045 . 1 . . . . 115 THR CA . 25400 1 1332 . 1 1 115 115 THR CB C 13 69.073 0.065 . 1 . . . . 115 THR CB . 25400 1 1333 . 1 1 115 115 THR N N 15 123.668 0.104 . 1 . . . . 115 THR N . 25400 1 1334 . 1 1 116 116 MET H H 1 9.352 0.007 . 1 . . . . 116 MET H . 25400 1 1335 . 1 1 116 116 MET HA H 1 4.875 0.025 . 1 . . . . 116 MET HA . 25400 1 1336 . 1 1 116 116 MET HB2 H 1 1.116 0.011 . 2 . . . . 116 MET HB2 . 25400 1 1337 . 1 1 116 116 MET HB3 H 1 1.441 0.01 . 2 . . . . 116 MET HB3 . 25400 1 1338 . 1 1 116 116 MET HG2 H 1 1.78 0.018 . 2 . . . . 116 MET HG2 . 25400 1 1339 . 1 1 116 116 MET HG3 H 1 1.633 0.006 . 2 . . . . 116 MET HG3 . 25400 1 1340 . 1 1 116 116 MET C C 13 173.409 0 . 1 . . . . 116 MET C . 25400 1 1341 . 1 1 116 116 MET CA C 13 53.552 0.079 . 1 . . . . 116 MET CA . 25400 1 1342 . 1 1 116 116 MET CB C 13 35.156 0.151 . 1 . . . . 116 MET CB . 25400 1 1343 . 1 1 116 116 MET N N 15 127.687 0.043 . 1 . . . . 116 MET N . 25400 1 1344 . 1 1 117 117 CYS HA H 1 5.446 0.04 . 1 . . . . 117 CYS HA . 25400 1 1345 . 1 1 117 117 CYS HB2 H 1 2.729 0.012 . 2 . . . . 117 CYS HB2 . 25400 1 1346 . 1 1 117 117 CYS HB3 H 1 2.871 0.052 . 2 . . . . 117 CYS HB3 . 25400 1 1347 . 1 1 117 117 CYS C C 13 175.551 0.059 . 1 . . . . 117 CYS C . 25400 1 1348 . 1 1 117 117 CYS CA C 13 56.974 0.252 . 1 . . . . 117 CYS CA . 25400 1 1349 . 1 1 117 117 CYS CB C 13 30.454 0.111 . 1 . . . . 117 CYS CB . 25400 1 1350 . 1 1 118 118 ALA H H 1 8.651 0.011 . 1 . . . . 118 ALA H . 25400 1 1351 . 1 1 118 118 ALA HA H 1 4.613 0.036 . 1 . . . . 118 ALA HA . 25400 1 1352 . 1 1 118 118 ALA HB1 H 1 1.162 0.012 . 1 . . . . 118 ALA MB . 25400 1 1353 . 1 1 118 118 ALA HB2 H 1 1.162 0.012 . 1 . . . . 118 ALA MB . 25400 1 1354 . 1 1 118 118 ALA HB3 H 1 1.162 0.012 . 1 . . . . 118 ALA MB . 25400 1 1355 . 1 1 118 118 ALA C C 13 176.965 0.076 . 1 . . . . 118 ALA C . 25400 1 1356 . 1 1 118 118 ALA CA C 13 52.876 0.19 . 1 . . . . 118 ALA CA . 25400 1 1357 . 1 1 118 118 ALA CB C 13 19.514 0.125 . 1 . . . . 118 ALA CB . 25400 1 1358 . 1 1 118 118 ALA N N 15 129.048 0.047 . 1 . . . . 118 ALA N . 25400 1 1359 . 1 1 119 119 GLY H H 1 9.218 0.011 . 1 . . . . 119 GLY H . 25400 1 1360 . 1 1 119 119 GLY HA2 H 1 3.812 0.014 . 2 . . . . 119 GLY HA2 . 25400 1 1361 . 1 1 119 119 GLY HA3 H 1 3.588 0.025 . 2 . . . . 119 GLY HA3 . 25400 1 1362 . 1 1 119 119 GLY C C 13 174.868 0.032 . 1 . . . . 119 GLY C . 25400 1 1363 . 1 1 119 119 GLY CA C 13 47.4 0.109 . 1 . . . . 119 GLY CA . 25400 1 1364 . 1 1 119 119 GLY N N 15 116.204 0.042 . 1 . . . . 119 GLY N . 25400 1 1365 . 1 1 120 120 ASP H H 1 8.743 0.012 . 1 . . . . 120 ASP H . 25400 1 1366 . 1 1 120 120 ASP HA H 1 4.496 0.014 . 1 . . . . 120 ASP HA . 25400 1 1367 . 1 1 120 120 ASP HB2 H 1 2.662 0.016 . 2 . . . . 120 ASP HB2 . 25400 1 1368 . 1 1 120 120 ASP HB3 H 1 2.522 0.005 . 2 . . . . 120 ASP HB3 . 25400 1 1369 . 1 1 120 120 ASP C C 13 175.71 0.031 . 1 . . . . 120 ASP C . 25400 1 1370 . 1 1 120 120 ASP CA C 13 54.342 0.047 . 1 . . . . 120 ASP CA . 25400 1 1371 . 1 1 120 120 ASP CB C 13 40.739 0.094 . 1 . . . . 120 ASP CB . 25400 1 1372 . 1 1 120 120 ASP N N 15 125.847 0.112 . 1 . . . . 120 ASP N . 25400 1 1373 . 1 1 121 121 MET H H 1 8.077 0.009 . 1 . . . . 121 MET H . 25400 1 1374 . 1 1 121 121 MET HA H 1 4.672 0.009 . 1 . . . . 121 MET HA . 25400 1 1375 . 1 1 121 121 MET HB2 H 1 2.166 0.016 . 2 . . . . 121 MET HB2 . 25400 1 1376 . 1 1 121 121 MET HB3 H 1 1.91 0.009 . 2 . . . . 121 MET HB3 . 25400 1 1377 . 1 1 121 121 MET HG2 H 1 2.415 0.007 . 2 . . . . 121 MET HG2 . 25400 1 1378 . 1 1 121 121 MET HG3 H 1 2.415 0.007 . 2 . . . . 121 MET HG3 . 25400 1 1379 . 1 1 121 121 MET C C 13 175.447 0.079 . 1 . . . . 121 MET C . 25400 1 1380 . 1 1 121 121 MET CA C 13 54.733 0.116 . 1 . . . . 121 MET CA . 25400 1 1381 . 1 1 121 121 MET CB C 13 33.676 0.053 . 1 . . . . 121 MET CB . 25400 1 1382 . 1 1 121 121 MET CG C 13 30.918 0 . 1 . . . . 121 MET CG . 25400 1 1383 . 1 1 121 121 MET N N 15 119.778 0.055 . 1 . . . . 121 MET N . 25400 1 1384 . 1 1 122 122 VAL H H 1 8.317 0.014 . 1 . . . . 122 VAL H . 25400 1 1385 . 1 1 122 122 VAL HA H 1 5.104 0.011 . 1 . . . . 122 VAL HA . 25400 1 1386 . 1 1 122 122 VAL HB H 1 1.742 0.009 . 1 . . . . 122 VAL HB . 25400 1 1387 . 1 1 122 122 VAL HG11 H 1 0.705 0.011 . 2 . . . . 122 VAL MG1 . 25400 1 1388 . 1 1 122 122 VAL HG12 H 1 0.705 0.011 . 2 . . . . 122 VAL MG1 . 25400 1 1389 . 1 1 122 122 VAL HG13 H 1 0.705 0.011 . 2 . . . . 122 VAL MG1 . 25400 1 1390 . 1 1 122 122 VAL HG21 H 1 0.776 0.007 . 2 . . . . 122 VAL MG2 . 25400 1 1391 . 1 1 122 122 VAL HG22 H 1 0.776 0.007 . 2 . . . . 122 VAL MG2 . 25400 1 1392 . 1 1 122 122 VAL HG23 H 1 0.776 0.007 . 2 . . . . 122 VAL MG2 . 25400 1 1393 . 1 1 122 122 VAL C C 13 175.532 0.031 . 1 . . . . 122 VAL C . 25400 1 1394 . 1 1 122 122 VAL CA C 13 60.679 0.064 . 1 . . . . 122 VAL CA . 25400 1 1395 . 1 1 122 122 VAL CB C 13 35.346 0.155 . 1 . . . . 122 VAL CB . 25400 1 1396 . 1 1 122 122 VAL CG1 C 13 20.902 0.056 . 2 . . . . 122 VAL CG1 . 25400 1 1397 . 1 1 122 122 VAL CG2 C 13 21.534 0.198 . 2 . . . . 122 VAL CG2 . 25400 1 1398 . 1 1 122 122 VAL N N 15 123.944 0.078 . 1 . . . . 122 VAL N . 25400 1 1399 . 1 1 123 123 ALA H H 1 8.908 0.005 . 1 . . . . 123 ALA H . 25400 1 1400 . 1 1 123 123 ALA HA H 1 4.898 0.008 . 1 . . . . 123 ALA HA . 25400 1 1401 . 1 1 123 123 ALA HB1 H 1 1.04 0.012 . 1 . . . . 123 ALA MB . 25400 1 1402 . 1 1 123 123 ALA HB2 H 1 1.04 0.012 . 1 . . . . 123 ALA MB . 25400 1 1403 . 1 1 123 123 ALA HB3 H 1 1.04 0.012 . 1 . . . . 123 ALA MB . 25400 1 1404 . 1 1 123 123 ALA C C 13 175.569 0.066 . 1 . . . . 123 ALA C . 25400 1 1405 . 1 1 123 123 ALA CA C 13 50.381 0.066 . 1 . . . . 123 ALA CA . 25400 1 1406 . 1 1 123 123 ALA CB C 13 22.56 0.098 . 1 . . . . 123 ALA CB . 25400 1 1407 . 1 1 123 123 ALA N N 15 128.691 0.062 . 1 . . . . 123 ALA N . 25400 1 1408 . 1 1 124 124 LYS H H 1 8.665 0.007 . 1 . . . . 124 LYS H . 25400 1 1409 . 1 1 124 124 LYS HA H 1 5.389 0.028 . 1 . . . . 124 LYS HA . 25400 1 1410 . 1 1 124 124 LYS HB2 H 1 1.009 0.004 . 2 . . . . 124 LYS HB2 . 25400 1 1411 . 1 1 124 124 LYS HB3 H 1 1.38 0.016 . 2 . . . . 124 LYS HB3 . 25400 1 1412 . 1 1 124 124 LYS HG2 H 1 1.201 0.011 . 2 . . . . 124 LYS HG2 . 25400 1 1413 . 1 1 124 124 LYS HG3 H 1 1.135 0.005 . 2 . . . . 124 LYS HG3 . 25400 1 1414 . 1 1 124 124 LYS HD2 H 1 1.303 0.037 . 2 . . . . 124 LYS HD2 . 25400 1 1415 . 1 1 124 124 LYS HD3 H 1 1.303 0.037 . 2 . . . . 124 LYS HD3 . 25400 1 1416 . 1 1 124 124 LYS HE2 H 1 2.567 0.005 . 2 . . . . 124 LYS HE2 . 25400 1 1417 . 1 1 124 124 LYS HE3 H 1 2.567 0.005 . 2 . . . . 124 LYS HE3 . 25400 1 1418 . 1 1 124 124 LYS C C 13 175.08 0.018 . 1 . . . . 124 LYS C . 25400 1 1419 . 1 1 124 124 LYS CA C 13 54.448 0.045 . 1 . . . . 124 LYS CA . 25400 1 1420 . 1 1 124 124 LYS CB C 13 38.304 0.091 . 1 . . . . 124 LYS CB . 25400 1 1421 . 1 1 124 124 LYS CG C 13 25.53 0.092 . 1 . . . . 124 LYS CG . 25400 1 1422 . 1 1 124 124 LYS CD C 13 29.488 0.067 . 1 . . . . 124 LYS CD . 25400 1 1423 . 1 1 124 124 LYS CE C 13 42.144 0.034 . 1 . . . . 124 LYS CE . 25400 1 1424 . 1 1 124 124 LYS N N 15 117.886 0.11 . 1 . . . . 124 LYS N . 25400 1 1425 . 1 1 125 125 ARG H H 1 8.676 0.021 . 1 . . . . 125 ARG H . 25400 1 1426 . 1 1 125 125 ARG HA H 1 4.84 0.018 . 1 . . . . 125 ARG HA . 25400 1 1427 . 1 1 125 125 ARG HB2 H 1 1.629 0.02 . 2 . . . . 125 ARG HB2 . 25400 1 1428 . 1 1 125 125 ARG HB3 H 1 1.129 0.007 . 2 . . . . 125 ARG HB3 . 25400 1 1429 . 1 1 125 125 ARG HG2 H 1 0.975 0.003 . 2 . . . . 125 ARG HG2 . 25400 1 1430 . 1 1 125 125 ARG HG3 H 1 0.705 0.018 . 2 . . . . 125 ARG HG3 . 25400 1 1431 . 1 1 125 125 ARG HD2 H 1 3.439 0 . 2 . . . . 125 ARG HD2 . 25400 1 1432 . 1 1 125 125 ARG HD3 H 1 3.439 0 . 2 . . . . 125 ARG HD3 . 25400 1 1433 . 1 1 125 125 ARG C C 13 173.625 0 . 1 . . . . 125 ARG C . 25400 1 1434 . 1 1 125 125 ARG CA C 13 54.95 0.053 . 1 . . . . 125 ARG CA . 25400 1 1435 . 1 1 125 125 ARG CB C 13 35.112 0.052 . 1 . . . . 125 ARG CB . 25400 1 1436 . 1 1 125 125 ARG CG C 13 24.658 0 . 1 . . . . 125 ARG CG . 25400 1 1437 . 1 1 125 125 ARG N N 15 117.567 0.122 . 1 . . . . 125 ARG N . 25400 1 1438 . 1 1 126 126 TYR H H 1 8.564 0.007 . 1 . . . . 126 TYR H . 25400 1 1439 . 1 1 126 126 TYR HA H 1 4.449 0.012 . 1 . . . . 126 TYR HA . 25400 1 1440 . 1 1 126 126 TYR HB2 H 1 2.646 0.008 . 2 . . . . 126 TYR HB2 . 25400 1 1441 . 1 1 126 126 TYR HB3 H 1 2.888 0.019 . 2 . . . . 126 TYR HB3 . 25400 1 1442 . 1 1 126 126 TYR HD1 H 1 6.877 0.008 . 3 . . . . 126 TYR HD1 . 25400 1 1443 . 1 1 126 126 TYR HD2 H 1 6.877 0.008 . 3 . . . . 126 TYR HD2 . 25400 1 1444 . 1 1 126 126 TYR HE1 H 1 6.5 0.011 . 3 . . . . 126 TYR HE1 . 25400 1 1445 . 1 1 126 126 TYR HE2 H 1 6.5 0.011 . 3 . . . . 126 TYR HE2 . 25400 1 1446 . 1 1 126 126 TYR C C 13 173.976 0.038 . 1 . . . . 126 TYR C . 25400 1 1447 . 1 1 126 126 TYR CA C 13 57.397 0.055 . 1 . . . . 126 TYR CA . 25400 1 1448 . 1 1 126 126 TYR CB C 13 39.329 0.119 . 1 . . . . 126 TYR CB . 25400 1 1449 . 1 1 126 126 TYR N N 15 122.613 0.071 . 1 . . . . 126 TYR N . 25400 1 1450 . 1 1 127 127 PHE H H 1 8.72 0.011 . 1 . . . . 127 PHE H . 25400 1 1451 . 1 1 127 127 PHE HA H 1 4.812 0.008 . 1 . . . . 127 PHE HA . 25400 1 1452 . 1 1 127 127 PHE HB2 H 1 1.907 0.019 . 2 . . . . 127 PHE HB2 . 25400 1 1453 . 1 1 127 127 PHE HB3 H 1 1.136 0.03 . 2 . . . . 127 PHE HB3 . 25400 1 1454 . 1 1 127 127 PHE HD1 H 1 6.166 0 . 3 . . . . 127 PHE HD1 . 25400 1 1455 . 1 1 127 127 PHE HD2 H 1 6.166 0 . 3 . . . . 127 PHE HD2 . 25400 1 1456 . 1 1 127 127 PHE C C 13 175.549 0.035 . 1 . . . . 127 PHE C . 25400 1 1457 . 1 1 127 127 PHE CA C 13 56.369 0.05 . 1 . . . . 127 PHE CA . 25400 1 1458 . 1 1 127 127 PHE CB C 13 42.409 0.051 . 1 . . . . 127 PHE CB . 25400 1 1459 . 1 1 127 127 PHE N N 15 122.693 0.079 . 1 . . . . 127 PHE N . 25400 1 1460 . 1 1 128 128 ILE H H 1 9.375 0.008 . 1 . . . . 128 ILE H . 25400 1 1461 . 1 1 128 128 ILE HA H 1 4.899 0.024 . 1 . . . . 128 ILE HA . 25400 1 1462 . 1 1 128 128 ILE HB H 1 1.78 0.014 . 1 . . . . 128 ILE HB . 25400 1 1463 . 1 1 128 128 ILE HG12 H 1 1.458 0.017 . 2 . . . . 128 ILE HG12 . 25400 1 1464 . 1 1 128 128 ILE HG13 H 1 1.058 0.025 . 2 . . . . 128 ILE HG13 . 25400 1 1465 . 1 1 128 128 ILE HG21 H 1 0.879 0.009 . 1 . . . . 128 ILE MG . 25400 1 1466 . 1 1 128 128 ILE HG22 H 1 0.879 0.009 . 1 . . . . 128 ILE MG . 25400 1 1467 . 1 1 128 128 ILE HG23 H 1 0.879 0.009 . 1 . . . . 128 ILE MG . 25400 1 1468 . 1 1 128 128 ILE HD11 H 1 0.691 0.016 . 1 . . . . 128 ILE MD . 25400 1 1469 . 1 1 128 128 ILE HD12 H 1 0.691 0.016 . 1 . . . . 128 ILE MD . 25400 1 1470 . 1 1 128 128 ILE HD13 H 1 0.691 0.016 . 1 . . . . 128 ILE MD . 25400 1 1471 . 1 1 128 128 ILE C C 13 175.582 0.046 . 1 . . . . 128 ILE C . 25400 1 1472 . 1 1 128 128 ILE CA C 13 58.844 0.123 . 1 . . . . 128 ILE CA . 25400 1 1473 . 1 1 128 128 ILE CB C 13 40.976 0.078 . 1 . . . . 128 ILE CB . 25400 1 1474 . 1 1 128 128 ILE CG1 C 13 27.31 0.118 . 1 . . . . 128 ILE CG1 . 25400 1 1475 . 1 1 128 128 ILE CG2 C 13 17.475 0.117 . 1 . . . . 128 ILE CG2 . 25400 1 1476 . 1 1 128 128 ILE CD1 C 13 12.649 0.155 . 1 . . . . 128 ILE CD1 . 25400 1 1477 . 1 1 128 128 ILE N N 15 121.286 0.082 . 1 . . . . 128 ILE N . 25400 1 1478 . 1 1 129 129 ARG H H 1 8.834 0.013 . 1 . . . . 129 ARG H . 25400 1 1479 . 1 1 129 129 ARG HA H 1 4.075 0.017 . 1 . . . . 129 ARG HA . 25400 1 1480 . 1 1 129 129 ARG HB2 H 1 1.566 0.017 . 2 . . . . 129 ARG HB2 . 25400 1 1481 . 1 1 129 129 ARG HB3 H 1 1.566 0.017 . 2 . . . . 129 ARG HB3 . 25400 1 1482 . 1 1 129 129 ARG HG2 H 1 1.25 0.014 . 2 . . . . 129 ARG HG2 . 25400 1 1483 . 1 1 129 129 ARG HG3 H 1 1.25 0.014 . 2 . . . . 129 ARG HG3 . 25400 1 1484 . 1 1 129 129 ARG HD2 H 1 3.051 0.026 . 2 . . . . 129 ARG HD2 . 25400 1 1485 . 1 1 129 129 ARG HD3 H 1 3.051 0.026 . 2 . . . . 129 ARG HD3 . 25400 1 1486 . 1 1 129 129 ARG C C 13 175.657 0.028 . 1 . . . . 129 ARG C . 25400 1 1487 . 1 1 129 129 ARG CA C 13 57.659 0.087 . 1 . . . . 129 ARG CA . 25400 1 1488 . 1 1 129 129 ARG CB C 13 31.585 0.067 . 1 . . . . 129 ARG CB . 25400 1 1489 . 1 1 129 129 ARG CG C 13 27.073 0 . 1 . . . . 129 ARG CG . 25400 1 1490 . 1 1 129 129 ARG CD C 13 43.096 0 . 1 . . . . 129 ARG CD . 25400 1 1491 . 1 1 129 129 ARG N N 15 128.607 0.095 . 1 . . . . 129 ARG N . 25400 1 1492 . 1 1 130 130 THR H H 1 8.262 0.013 . 1 . . . . 130 THR H . 25400 1 1493 . 1 1 130 130 THR HA H 1 4.144 0.017 . 1 . . . . 130 THR HA . 25400 1 1494 . 1 1 130 130 THR HB H 1 4.069 0.025 . 1 . . . . 130 THR HB . 25400 1 1495 . 1 1 130 130 THR HG21 H 1 0.999 0.006 . 1 . . . . 130 THR MG . 25400 1 1496 . 1 1 130 130 THR HG22 H 1 0.999 0.006 . 1 . . . . 130 THR MG . 25400 1 1497 . 1 1 130 130 THR HG23 H 1 0.999 0.006 . 1 . . . . 130 THR MG . 25400 1 1498 . 1 1 130 130 THR C C 13 178.934 0 . 1 . . . . 130 THR C . 25400 1 1499 . 1 1 130 130 THR CA C 13 62.351 0.094 . 1 . . . . 130 THR CA . 25400 1 1500 . 1 1 130 130 THR CB C 13 70.31 0.2 . 1 . . . . 130 THR CB . 25400 1 1501 . 1 1 130 130 THR N N 15 125.077 0.121 . 1 . . . . 130 THR N . 25400 1 stop_ save_