data_50353 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50353 _Entry.Title ; 1H, 13C, 15N chemical shift assignment of NTD MaSp2 from Nephila clavipes ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-06-23 _Entry.Accession_date 2020-06-23 _Entry.Last_release_date 2020-06-23 _Entry.Original_release_date 2020-06-23 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; This is nearly complete of 1H, 13C, 15N chemical assignment of N terminal domain of Major Ampullate Spidroin 2 from Nephila clavipes. ; _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 'Nur Alia' Oktaviani . . . 0000-0002-7948-5949 50353 2 'Ali D' Malay . . . . 50353 3 Akimasa Matsugami . . . . 50353 4 Fumiaki Hayashi . . . . 50353 5 Keiji Numata . . . . 50353 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'RIKEN Center for Sustainable Resource Sciences' . 50353 2 . 'RIKEN SPring-8 Center, Advanced NMR Application and Platform Team' . 50353 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50353 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 573 50353 '15N chemical shifts' 143 50353 '1H chemical shifts' 881 50353 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 . . 2021-04-12 2020-06-23 update BMRB 'update entry citation' 50353 1 . . 2020-08-11 2020-06-23 original author 'original release' 50353 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17148 'N-terminal domain of Nephila clavipes major ampulate spidroin 1' 50353 BMRB 18262 'NMR structure of major ampullate spidroin 1 N-terminal domain at pH 7.2' 50353 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50353 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32767002 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Nearly complete 1H, 13C and 15N chemical shift assignment of monomeric form of N-terminal domain of Nephila clavipes major ampullate spidroin 2 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 335 _Citation.Page_last 338 _Citation.Year 2020 _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 'Nur Alia' Oktaviani . . . . 50353 1 2 'Ali D' Malay . . . . 50353 1 3 Akimasa Matsugami . . . . 50353 1 4 Fumiaki Hayashi . . . . 50353 1 5 Keiji Numata . . . . 50353 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Spider silk, N-terminal domain, Major Ampullate Spidroin 2, Dragline Silk' 50353 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50353 _Assembly.ID 1 _Assembly.Name 'N-terminal domain of Major Ampullate Spidroin 2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 14463 _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 'N-terminal domain of Major Ampullate Spidroin 2' 1 $entity_1 . . yes native no no . . . 50353 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Required for self assembly of major ampullate spidroin 2' 50353 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50353 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; GSHMAQARSPWSDTATADAF IQNFLAAVSGSGAFTSDQLD DMSTIGDTIMSAMDKMARSN KSSQHKLQALNMAFASSMAE IAAVEQGGMSMAVKTNAIVD GLNSAFYMTTGAANPQFVNE MRSLISMISAASANEVSY ; _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 138 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 50353 1 2 . SER . 50353 1 3 . HIS . 50353 1 4 . MET . 50353 1 5 . ALA . 50353 1 6 . GLN . 50353 1 7 . ALA . 50353 1 8 . ARG . 50353 1 9 . SER . 50353 1 10 . PRO . 50353 1 11 . TRP . 50353 1 12 . SER . 50353 1 13 . ASP . 50353 1 14 . THR . 50353 1 15 . ALA . 50353 1 16 . THR . 50353 1 17 . ALA . 50353 1 18 . ASP . 50353 1 19 . ALA . 50353 1 20 . PHE . 50353 1 21 . ILE . 50353 1 22 . GLN . 50353 1 23 . ASN . 50353 1 24 . PHE . 50353 1 25 . LEU . 50353 1 26 . ALA . 50353 1 27 . ALA . 50353 1 28 . VAL . 50353 1 29 . SER . 50353 1 30 . GLY . 50353 1 31 . SER . 50353 1 32 . GLY . 50353 1 33 . ALA . 50353 1 34 . PHE . 50353 1 35 . THR . 50353 1 36 . SER . 50353 1 37 . ASP . 50353 1 38 . GLN . 50353 1 39 . LEU . 50353 1 40 . ASP . 50353 1 41 . ASP . 50353 1 42 . MET . 50353 1 43 . SER . 50353 1 44 . THR . 50353 1 45 . ILE . 50353 1 46 . GLY . 50353 1 47 . ASP . 50353 1 48 . THR . 50353 1 49 . ILE . 50353 1 50 . MET . 50353 1 51 . SER . 50353 1 52 . ALA . 50353 1 53 . MET . 50353 1 54 . ASP . 50353 1 55 . LYS . 50353 1 56 . MET . 50353 1 57 . ALA . 50353 1 58 . ARG . 50353 1 59 . SER . 50353 1 60 . ASN . 50353 1 61 . LYS . 50353 1 62 . SER . 50353 1 63 . SER . 50353 1 64 . GLN . 50353 1 65 . HIS . 50353 1 66 . LYS . 50353 1 67 . LEU . 50353 1 68 . GLN . 50353 1 69 . ALA . 50353 1 70 . LEU . 50353 1 71 . ASN . 50353 1 72 . MET . 50353 1 73 . ALA . 50353 1 74 . PHE . 50353 1 75 . ALA . 50353 1 76 . SER . 50353 1 77 . SER . 50353 1 78 . MET . 50353 1 79 . ALA . 50353 1 80 . GLU . 50353 1 81 . ILE . 50353 1 82 . ALA . 50353 1 83 . ALA . 50353 1 84 . VAL . 50353 1 85 . GLU . 50353 1 86 . GLN . 50353 1 87 . GLY . 50353 1 88 . GLY . 50353 1 89 . MET . 50353 1 90 . SER . 50353 1 91 . MET . 50353 1 92 . ALA . 50353 1 93 . VAL . 50353 1 94 . LYS . 50353 1 95 . THR . 50353 1 96 . ASN . 50353 1 97 . ALA . 50353 1 98 . ILE . 50353 1 99 . VAL . 50353 1 100 . ASP . 50353 1 101 . GLY . 50353 1 102 . LEU . 50353 1 103 . ASN . 50353 1 104 . SER . 50353 1 105 . ALA . 50353 1 106 . PHE . 50353 1 107 . TYR . 50353 1 108 . MET . 50353 1 109 . THR . 50353 1 110 . THR . 50353 1 111 . GLY . 50353 1 112 . ALA . 50353 1 113 . ALA . 50353 1 114 . ASN . 50353 1 115 . PRO . 50353 1 116 . GLN . 50353 1 117 . PHE . 50353 1 118 . VAL . 50353 1 119 . ASN . 50353 1 120 . GLU . 50353 1 121 . MET . 50353 1 122 . ARG . 50353 1 123 . SER . 50353 1 124 . LEU . 50353 1 125 . ILE . 50353 1 126 . SER . 50353 1 127 . MET . 50353 1 128 . ILE . 50353 1 129 . SER . 50353 1 130 . ALA . 50353 1 131 . ALA . 50353 1 132 . SER . 50353 1 133 . ALA . 50353 1 134 . ASN . 50353 1 135 . GLU . 50353 1 136 . VAL . 50353 1 137 . SER . 50353 1 138 . TYR . 50353 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 50353 1 . SER 2 2 50353 1 . HIS 3 3 50353 1 . MET 4 4 50353 1 . ALA 5 5 50353 1 . GLN 6 6 50353 1 . ALA 7 7 50353 1 . ARG 8 8 50353 1 . SER 9 9 50353 1 . PRO 10 10 50353 1 . TRP 11 11 50353 1 . SER 12 12 50353 1 . ASP 13 13 50353 1 . THR 14 14 50353 1 . ALA 15 15 50353 1 . THR 16 16 50353 1 . ALA 17 17 50353 1 . ASP 18 18 50353 1 . ALA 19 19 50353 1 . PHE 20 20 50353 1 . ILE 21 21 50353 1 . GLN 22 22 50353 1 . ASN 23 23 50353 1 . PHE 24 24 50353 1 . LEU 25 25 50353 1 . ALA 26 26 50353 1 . ALA 27 27 50353 1 . VAL 28 28 50353 1 . SER 29 29 50353 1 . GLY 30 30 50353 1 . SER 31 31 50353 1 . GLY 32 32 50353 1 . ALA 33 33 50353 1 . PHE 34 34 50353 1 . THR 35 35 50353 1 . SER 36 36 50353 1 . ASP 37 37 50353 1 . GLN 38 38 50353 1 . LEU 39 39 50353 1 . ASP 40 40 50353 1 . ASP 41 41 50353 1 . MET 42 42 50353 1 . SER 43 43 50353 1 . THR 44 44 50353 1 . ILE 45 45 50353 1 . GLY 46 46 50353 1 . ASP 47 47 50353 1 . THR 48 48 50353 1 . ILE 49 49 50353 1 . MET 50 50 50353 1 . SER 51 51 50353 1 . ALA 52 52 50353 1 . MET 53 53 50353 1 . ASP 54 54 50353 1 . LYS 55 55 50353 1 . MET 56 56 50353 1 . ALA 57 57 50353 1 . ARG 58 58 50353 1 . SER 59 59 50353 1 . ASN 60 60 50353 1 . LYS 61 61 50353 1 . SER 62 62 50353 1 . SER 63 63 50353 1 . GLN 64 64 50353 1 . HIS 65 65 50353 1 . LYS 66 66 50353 1 . LEU 67 67 50353 1 . GLN 68 68 50353 1 . ALA 69 69 50353 1 . LEU 70 70 50353 1 . ASN 71 71 50353 1 . MET 72 72 50353 1 . ALA 73 73 50353 1 . PHE 74 74 50353 1 . ALA 75 75 50353 1 . SER 76 76 50353 1 . SER 77 77 50353 1 . MET 78 78 50353 1 . ALA 79 79 50353 1 . GLU 80 80 50353 1 . ILE 81 81 50353 1 . ALA 82 82 50353 1 . ALA 83 83 50353 1 . VAL 84 84 50353 1 . GLU 85 85 50353 1 . GLN 86 86 50353 1 . GLY 87 87 50353 1 . GLY 88 88 50353 1 . MET 89 89 50353 1 . SER 90 90 50353 1 . MET 91 91 50353 1 . ALA 92 92 50353 1 . VAL 93 93 50353 1 . LYS 94 94 50353 1 . THR 95 95 50353 1 . ASN 96 96 50353 1 . ALA 97 97 50353 1 . ILE 98 98 50353 1 . VAL 99 99 50353 1 . ASP 100 100 50353 1 . GLY 101 101 50353 1 . LEU 102 102 50353 1 . ASN 103 103 50353 1 . SER 104 104 50353 1 . ALA 105 105 50353 1 . PHE 106 106 50353 1 . TYR 107 107 50353 1 . MET 108 108 50353 1 . THR 109 109 50353 1 . THR 110 110 50353 1 . GLY 111 111 50353 1 . ALA 112 112 50353 1 . ALA 113 113 50353 1 . ASN 114 114 50353 1 . PRO 115 115 50353 1 . GLN 116 116 50353 1 . PHE 117 117 50353 1 . VAL 118 118 50353 1 . ASN 119 119 50353 1 . GLU 120 120 50353 1 . MET 121 121 50353 1 . ARG 122 122 50353 1 . SER 123 123 50353 1 . LEU 124 124 50353 1 . ILE 125 125 50353 1 . SER 126 126 50353 1 . MET 127 127 50353 1 . ILE 128 128 50353 1 . SER 129 129 50353 1 . ALA 130 130 50353 1 . ALA 131 131 50353 1 . SER 132 132 50353 1 . ALA 133 133 50353 1 . ASN 134 134 50353 1 . GLU 135 135 50353 1 . VAL 136 136 50353 1 . SER 137 137 50353 1 . TYR 138 138 50353 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50353 _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 $entity_1 . 2585209 organism . 'Nephila clavipes' 'Nephila clavipes' . . Eukaryota Metazoa Nephila clavipes . . . . . . . . . . . . . 50353 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50353 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET15b . . . 50353 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50353 _Sample.ID 1 _Sample.Name '(13C, 15N) NTD MaSp2 from N.clavipes' _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Uniformly labeled (13C, 15N) of N-terminal domain Major Ampullate Spidroin 2 from Nephila clavipes' _Sample.Aggregate_sample_number 0 _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 'N-terminal domain of Major Ampullate Spidroin 2' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.75 0.5 1 mM . . . . 50353 1 2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 50353 1 3 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 50353 1 4 'potassium phosphate pH 7' 'natural abundance' . . . . . . 10 . . mM . . . . 50353 1 5 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 50353 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 50353 _Sample_condition_list.ID 1 _Sample_condition_list.Name '(13C, 15N) NTD MaSp2 from N.clavipes' _Sample_condition_list.Details 'Uniformly isotopically labeled (13C, 15N) N-terminal domain Major Ampullate Spidroin 2 from Nephila clavipes.' 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' 0.301 . M 50353 1 pH 7 . pH 50353 1 pressure 1 . atm 50353 1 temperature 298 . K 50353 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50353 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50353 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50353 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50353 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50353 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name Bruker _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model ECA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50353 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name Bruker _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model ECA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50353 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50353 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50353 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50353 1 4 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50353 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50353 1 6 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50353 1 7 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50353 1 8 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50353 1 9 '3D HBHANH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50353 1 10 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50353 1 11 '3D HNCOCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50353 1 12 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50353 1 13 '3D (H)C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50353 1 14 '3D H(C)CH TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50353 1 15 '3D (H)CCH TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50353 1 16 '2D H2(C)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50353 1 17 '3D 1H-15N NOESY HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50353 1 18 '2D CG(CB)HB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50353 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50353 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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 . . . . . 50353 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50353 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50353 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50353 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'NTD MaSp2 Nephila clavipes' _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 $chem_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' . . . 50353 1 2 '2D 1H-13C HSQC aliphatic' . . . 50353 1 3 '3D CBCA(CO)NH' . . . 50353 1 5 '3D HBHA(CO)NH' . . . 50353 1 6 '3D HNCO' . . . 50353 1 8 '3D HN(CA)CO' . . . 50353 1 9 '3D HBHANH' . . . 50353 1 10 '3D HNCACB' . . . 50353 1 11 '3D HNCOCA' . . . 50353 1 12 '3D HNCA' . . . 50353 1 13 '3D (H)C(CO)NH' . . . 50353 1 14 '3D H(C)CH TOCSY' . . . 50353 1 15 '3D (H)CCH TOCSY' . . . 50353 1 16 '2D H2(C)CO' . . . 50353 1 17 '3D 1H-15N NOESY HSQC' . . . 50353 1 18 '2D CG(CB)HB' . . . 50353 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 50353 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 HIS HE1 H 1 7.763 0.03 . 1 . . . . . 3 HIS HE1 . 50353 1 2 . 1 . 1 3 3 HIS CE1 C 13 138.679 0.3 . 1 . . . . . 3 HIS CE1 . 50353 1 3 . 1 . 1 4 4 MET HA H 1 4.429 0.03 . 1 . . . . . 4 MET HA . 50353 1 4 . 1 . 1 4 4 MET HB2 H 1 2.02 0.03 . 1 . . . . . 4 MET HB2 . 50353 1 5 . 1 . 1 4 4 MET HB3 H 1 2.02 0.03 . 1 . . . . . 4 MET HB3 . 50353 1 6 . 1 . 1 4 4 MET HG2 H 1 2.452 0.03 . 1 . . . . . 4 MET HG2 . 50353 1 7 . 1 . 1 4 4 MET HG3 H 1 2.452 0.03 . 1 . . . . . 4 MET HG3 . 50353 1 8 . 1 . 1 4 4 MET HE1 H 1 2.071 0.03 . 1 . . . . . 4 MET HE1 . 50353 1 9 . 1 . 1 4 4 MET HE2 H 1 2.071 0.03 . 1 . . . . . 4 MET HE2 . 50353 1 10 . 1 . 1 4 4 MET HE3 H 1 2.071 0.03 . 1 . . . . . 4 MET HE3 . 50353 1 11 . 1 . 1 4 4 MET CA C 13 55.491 0.3 . 1 . . . . . 4 MET CA . 50353 1 12 . 1 . 1 4 4 MET CB C 13 32.79 0.3 . 1 . . . . . 4 MET CB . 50353 1 13 . 1 . 1 4 4 MET CG C 13 31.952 0.3 . 1 . . . . . 4 MET CG . 50353 1 14 . 1 . 1 4 4 MET CE C 13 16.934 0.3 . 1 . . . . . 4 MET CE . 50353 1 15 . 1 . 1 5 5 ALA H H 1 8.302 0.03 . 1 . . . . . 5 ALA H . 50353 1 16 . 1 . 1 5 5 ALA HA H 1 4.409 0.03 . 1 . . . . . 5 ALA HA . 50353 1 17 . 1 . 1 5 5 ALA HB1 H 1 1.415 0.03 . 1 . . . . . 5 ALA HB1 . 50353 1 18 . 1 . 1 5 5 ALA HB2 H 1 1.415 0.03 . 1 . . . . . 5 ALA HB2 . 50353 1 19 . 1 . 1 5 5 ALA HB3 H 1 1.415 0.03 . 1 . . . . . 5 ALA HB3 . 50353 1 20 . 1 . 1 5 5 ALA C C 13 177.536 0.3 . 1 . . . . . 5 ALA C . 50353 1 21 . 1 . 1 5 5 ALA CA C 13 52.683 0.3 . 1 . . . . . 5 ALA CA . 50353 1 22 . 1 . 1 5 5 ALA CB C 13 19.154 0.3 . 1 . . . . . 5 ALA CB . 50353 1 23 . 1 . 1 5 5 ALA N N 15 125.299 0.3 . 1 . . . . . 5 ALA N . 50353 1 24 . 1 . 1 6 6 GLN H H 1 8.236 0.03 . 1 . . . . . 6 GLN H . 50353 1 25 . 1 . 1 6 6 GLN HA H 1 4.265 0.03 . 1 . . . . . 6 GLN HA . 50353 1 26 . 1 . 1 6 6 GLN HB2 H 1 2.025 0.03 . 1 . . . . . 6 GLN HB2 . 50353 1 27 . 1 . 1 6 6 GLN HB3 H 1 2.025 0.03 . 1 . . . . . 6 GLN HB3 . 50353 1 28 . 1 . 1 6 6 GLN HG2 H 1 2.346 0.03 . 1 . . . . . 6 GLN HG2 . 50353 1 29 . 1 . 1 6 6 GLN HG3 H 1 2.346 0.03 . 1 . . . . . 6 GLN HG3 . 50353 1 30 . 1 . 1 6 6 GLN C C 13 175.529 0.3 . 1 . . . . . 6 GLN C . 50353 1 31 . 1 . 1 6 6 GLN CA C 13 55.782 0.3 . 1 . . . . . 6 GLN CA . 50353 1 32 . 1 . 1 6 6 GLN CB C 13 29.651 0.3 . 1 . . . . . 6 GLN CB . 50353 1 33 . 1 . 1 6 6 GLN CG C 13 33.891 0.3 . 1 . . . . . 6 GLN CG . 50353 1 34 . 1 . 1 6 6 GLN CD C 13 180.431 0.3 . 1 . . . . . 6 GLN CD . 50353 1 35 . 1 . 1 6 6 GLN N N 15 119.424 0.3 . 1 . . . . . 6 GLN N . 50353 1 36 . 1 . 1 7 7 ALA H H 1 8.212 0.03 . 1 . . . . . 7 ALA H . 50353 1 37 . 1 . 1 7 7 ALA HA H 1 4.262 0.03 . 1 . . . . . 7 ALA HA . 50353 1 38 . 1 . 1 7 7 ALA HB1 H 1 1.283 0.03 . 1 . . . . . 7 ALA HB1 . 50353 1 39 . 1 . 1 7 7 ALA HB2 H 1 1.283 0.03 . 1 . . . . . 7 ALA HB2 . 50353 1 40 . 1 . 1 7 7 ALA HB3 H 1 1.283 0.03 . 1 . . . . . 7 ALA HB3 . 50353 1 41 . 1 . 1 7 7 ALA C C 13 177.164 0.3 . 1 . . . . . 7 ALA C . 50353 1 42 . 1 . 1 7 7 ALA CA C 13 52.291 0.3 . 1 . . . . . 7 ALA CA . 50353 1 43 . 1 . 1 7 7 ALA CB C 13 19.179 0.3 . 1 . . . . . 7 ALA CB . 50353 1 44 . 1 . 1 7 7 ALA N N 15 125.056 0.3 . 1 . . . . . 7 ALA N . 50353 1 45 . 1 . 1 8 8 ARG H H 1 8.192 0.03 . 1 . . . . . 8 ARG H . 50353 1 46 . 1 . 1 8 8 ARG HA H 1 4.268 0.03 . 1 . . . . . 8 ARG HA . 50353 1 47 . 1 . 1 8 8 ARG HB2 H 1 1.657 0.03 . 2 . . . . . 8 ARG HB2 . 50353 1 48 . 1 . 1 8 8 ARG HB3 H 1 1.768 0.03 . 2 . . . . . 8 ARG HB3 . 50353 1 49 . 1 . 1 8 8 ARG HG2 H 1 1.565 0.03 . 1 . . . . . 8 ARG HG2 . 50353 1 50 . 1 . 1 8 8 ARG HG3 H 1 1.565 0.03 . 1 . . . . . 8 ARG HG3 . 50353 1 51 . 1 . 1 8 8 ARG HD2 H 1 3.156 0.03 . 1 . . . . . 8 ARG HD2 . 50353 1 52 . 1 . 1 8 8 ARG HD3 H 1 3.156 0.03 . 1 . . . . . 8 ARG HD3 . 50353 1 53 . 1 . 1 8 8 ARG C C 13 175.108 0.3 . 1 . . . . . 8 ARG C . 50353 1 54 . 1 . 1 8 8 ARG CA C 13 55.695 0.3 . 1 . . . . . 8 ARG CA . 50353 1 55 . 1 . 1 8 8 ARG CB C 13 31.446 0.3 . 1 . . . . . 8 ARG CB . 50353 1 56 . 1 . 1 8 8 ARG CG C 13 26.827 0.3 . 1 . . . . . 8 ARG CG . 50353 1 57 . 1 . 1 8 8 ARG CD C 13 42.161 0.3 . 1 . . . . . 8 ARG CD . 50353 1 58 . 1 . 1 8 8 ARG N N 15 120.156 0.3 . 1 . . . . . 8 ARG N . 50353 1 59 . 1 . 1 9 9 SER H H 1 8.086 0.03 . 1 . . . . . 9 SER H . 50353 1 60 . 1 . 1 9 9 SER HA H 1 4.197 0.03 . 1 . . . . . 9 SER HA . 50353 1 61 . 1 . 1 9 9 SER HB2 H 1 4.027 0.03 . 1 . . . . . 9 SER HB2 . 50353 1 62 . 1 . 1 9 9 SER HB3 H 1 4.027 0.03 . 1 . . . . . 9 SER HB3 . 50353 1 63 . 1 . 1 9 9 SER C C 13 174.71 0.3 . 1 . . . . . 9 SER C . 50353 1 64 . 1 . 1 9 9 SER CA C 13 61.707 0.3 . 1 . . . . . 9 SER CA . 50353 1 65 . 1 . 1 9 9 SER CB C 13 62.458 0.3 . 1 . . . . . 9 SER CB . 50353 1 66 . 1 . 1 9 9 SER N N 15 115.687 0.3 . 1 . . . . . 9 SER N . 50353 1 67 . 1 . 1 10 10 PRO HA H 1 3.773 0.03 . 1 . . . . . 10 PRO HA . 50353 1 68 . 1 . 1 10 10 PRO HB2 H 1 0.152 0.03 . 2 . . . . . 10 PRO HB2 . 50353 1 69 . 1 . 1 10 10 PRO HB3 H 1 0.024 0.03 . 2 . . . . . 10 PRO HB3 . 50353 1 70 . 1 . 1 10 10 PRO HG2 H 1 -0.753 0.03 . 2 . . . . . 10 PRO HG2 . 50353 1 71 . 1 . 1 10 10 PRO HG3 H 1 -1.095 0.03 . 2 . . . . . 10 PRO HG3 . 50353 1 72 . 1 . 1 10 10 PRO HD2 H 1 2.622 0.03 . 2 . . . . . 10 PRO HD2 . 50353 1 73 . 1 . 1 10 10 PRO HD3 H 1 2.286 0.03 . 2 . . . . . 10 PRO HD3 . 50353 1 74 . 1 . 1 10 10 PRO C C 13 173.218 0.3 . 1 . . . . . 10 PRO C . 50353 1 75 . 1 . 1 10 10 PRO CA C 13 63.208 0.3 . 1 . . . . . 10 PRO CA . 50353 1 76 . 1 . 1 10 10 PRO CB C 13 30.204 0.3 . 1 . . . . . 10 PRO CB . 50353 1 77 . 1 . 1 10 10 PRO CG C 13 24.8 0.3 . 1 . . . . . 10 PRO CG . 50353 1 78 . 1 . 1 10 10 PRO CD C 13 49.481 0.3 . 1 . . . . . 10 PRO CD . 50353 1 79 . 1 . 1 11 11 TRP H H 1 7.094 0.03 . 1 . . . . . 11 TRP H . 50353 1 80 . 1 . 1 11 11 TRP HA H 1 5.071 0.03 . 1 . . . . . 11 TRP HA . 50353 1 81 . 1 . 1 11 11 TRP HB2 H 1 3.472 0.03 . 2 . . . . . 11 TRP HB2 . 50353 1 82 . 1 . 1 11 11 TRP HB3 H 1 2.897 0.03 . 2 . . . . . 11 TRP HB3 . 50353 1 83 . 1 . 1 11 11 TRP HD1 H 1 7.62 0.03 . 1 . . . . . 11 TRP HD1 . 50353 1 84 . 1 . 1 11 11 TRP HE1 H 1 10.221 0.03 . 1 . . . . . 11 TRP HE1 . 50353 1 85 . 1 . 1 11 11 TRP HZ2 H 1 6.78 0.03 . 1 . . . . . 11 TRP HZ2 . 50353 1 86 . 1 . 1 11 11 TRP HZ3 H 1 6.475 0.03 . 1 . . . . . 11 TRP HZ3 . 50353 1 87 . 1 . 1 11 11 TRP HH2 H 1 7.181 0.03 . 1 . . . . . 11 TRP HH2 . 50353 1 88 . 1 . 1 11 11 TRP CA C 13 52.03 0.3 . 1 . . . . . 11 TRP CA . 50353 1 89 . 1 . 1 11 11 TRP CB C 13 29.663 0.3 . 1 . . . . . 11 TRP CB . 50353 1 90 . 1 . 1 11 11 TRP CD1 C 13 131.591 0.3 . 1 . . . . . 11 TRP CD1 . 50353 1 91 . 1 . 1 11 11 TRP CZ2 C 13 113.127 0.3 . 1 . . . . . 11 TRP CZ2 . 50353 1 92 . 1 . 1 11 11 TRP CZ3 C 13 122.991 0.3 . 1 . . . . . 11 TRP CZ3 . 50353 1 93 . 1 . 1 11 11 TRP N N 15 112.678 0.3 . 1 . . . . . 11 TRP N . 50353 1 94 . 1 . 1 11 11 TRP NE1 N 15 127.032 0.3 . 1 . . . . . 11 TRP NE1 . 50353 1 95 . 1 . 1 12 12 SER H H 1 7.309 0.03 . 1 . . . . . 12 SER H . 50353 1 96 . 1 . 1 12 12 SER HA H 1 3.96 0.03 . 1 . . . . . 12 SER HA . 50353 1 97 . 1 . 1 12 12 SER HB2 H 1 3.896 0.03 . 1 . . . . . 12 SER HB2 . 50353 1 98 . 1 . 1 12 12 SER HB3 H 1 3.896 0.03 . 1 . . . . . 12 SER HB3 . 50353 1 99 . 1 . 1 12 12 SER C C 13 173.762 0.3 . 1 . . . . . 12 SER C . 50353 1 100 . 1 . 1 12 12 SER CA C 13 61.494 0.3 . 1 . . . . . 12 SER CA . 50353 1 101 . 1 . 1 12 12 SER CB C 13 63.726 0.3 . 1 . . . . . 12 SER CB . 50353 1 102 . 1 . 1 12 12 SER N N 15 112.206 0.3 . 1 . . . . . 12 SER N . 50353 1 103 . 1 . 1 13 13 ASP H H 1 7.419 0.03 . 1 . . . . . 13 ASP H . 50353 1 104 . 1 . 1 13 13 ASP HA H 1 4.713 0.03 . 1 . . . . . 13 ASP HA . 50353 1 105 . 1 . 1 13 13 ASP HB2 H 1 2.984 0.03 . 1 . . . . . 13 ASP HB2 . 50353 1 106 . 1 . 1 13 13 ASP HB3 H 1 2.984 0.03 . 1 . . . . . 13 ASP HB3 . 50353 1 107 . 1 . 1 13 13 ASP C C 13 175.477 0.3 . 1 . . . . . 13 ASP C . 50353 1 108 . 1 . 1 13 13 ASP CA C 13 53.364 0.3 . 1 . . . . . 13 ASP CA . 50353 1 109 . 1 . 1 13 13 ASP CB C 13 42.858 0.3 . 1 . . . . . 13 ASP CB . 50353 1 110 . 1 . 1 13 13 ASP CG C 13 180.33 0.3 . 1 . . . . . 13 ASP CG . 50353 1 111 . 1 . 1 13 13 ASP N N 15 113.656 0.3 . 1 . . . . . 13 ASP N . 50353 1 112 . 1 . 1 14 14 THR H H 1 8.739 0.03 . 1 . . . . . 14 THR H . 50353 1 113 . 1 . 1 14 14 THR HA H 1 3.891 0.03 . 1 . . . . . 14 THR HA . 50353 1 114 . 1 . 1 14 14 THR HB H 1 4.239 0.03 . 1 . . . . . 14 THR HB . 50353 1 115 . 1 . 1 14 14 THR HG21 H 1 1.397 0.03 . 1 . . . . . 14 THR HG21 . 50353 1 116 . 1 . 1 14 14 THR HG22 H 1 1.397 0.03 . 1 . . . . . 14 THR HG22 . 50353 1 117 . 1 . 1 14 14 THR HG23 H 1 1.397 0.03 . 1 . . . . . 14 THR HG23 . 50353 1 118 . 1 . 1 14 14 THR C C 13 175.572 0.3 . 1 . . . . . 14 THR C . 50353 1 119 . 1 . 1 14 14 THR CA C 13 66.448 0.3 . 1 . . . . . 14 THR CA . 50353 1 120 . 1 . 1 14 14 THR CB C 13 68.663 0.3 . 1 . . . . . 14 THR CB . 50353 1 121 . 1 . 1 14 14 THR CG2 C 13 22.531 0.3 . 1 . . . . . 14 THR CG2 . 50353 1 122 . 1 . 1 14 14 THR N N 15 114.727 0.3 . 1 . . . . . 14 THR N . 50353 1 123 . 1 . 1 15 15 ALA H H 1 8.27 0.03 . 1 . . . . . 15 ALA H . 50353 1 124 . 1 . 1 15 15 ALA HA H 1 4.287 0.03 . 1 . . . . . 15 ALA HA . 50353 1 125 . 1 . 1 15 15 ALA HB1 H 1 1.475 0.03 . 1 . . . . . 15 ALA HB1 . 50353 1 126 . 1 . 1 15 15 ALA HB2 H 1 1.475 0.03 . 1 . . . . . 15 ALA HB2 . 50353 1 127 . 1 . 1 15 15 ALA HB3 H 1 1.475 0.03 . 1 . . . . . 15 ALA HB3 . 50353 1 128 . 1 . 1 15 15 ALA C C 13 181.604 0.3 . 1 . . . . . 15 ALA C . 50353 1 129 . 1 . 1 15 15 ALA CA C 13 55.316 0.3 . 1 . . . . . 15 ALA CA . 50353 1 130 . 1 . 1 15 15 ALA CB C 13 18.191 0.3 . 1 . . . . . 15 ALA CB . 50353 1 131 . 1 . 1 15 15 ALA N N 15 124.476 0.3 . 1 . . . . . 15 ALA N . 50353 1 132 . 1 . 1 16 16 THR H H 1 8.609 0.03 . 1 . . . . . 16 THR H . 50353 1 133 . 1 . 1 16 16 THR HA H 1 3.815 0.03 . 1 . . . . . 16 THR HA . 50353 1 134 . 1 . 1 16 16 THR HB H 1 4.016 0.03 . 1 . . . . . 16 THR HB . 50353 1 135 . 1 . 1 16 16 THR HG21 H 1 1.14 0.03 . 1 . . . . . 16 THR HG21 . 50353 1 136 . 1 . 1 16 16 THR HG22 H 1 1.14 0.03 . 1 . . . . . 16 THR HG22 . 50353 1 137 . 1 . 1 16 16 THR HG23 H 1 1.14 0.03 . 1 . . . . . 16 THR HG23 . 50353 1 138 . 1 . 1 16 16 THR C C 13 175.44 0.3 . 1 . . . . . 16 THR C . 50353 1 139 . 1 . 1 16 16 THR CA C 13 66.795 0.3 . 1 . . . . . 16 THR CA . 50353 1 140 . 1 . 1 16 16 THR CB C 13 68.104 0.3 . 1 . . . . . 16 THR CB . 50353 1 141 . 1 . 1 16 16 THR CG2 C 13 21.381 0.3 . 1 . . . . . 16 THR CG2 . 50353 1 142 . 1 . 1 16 16 THR N N 15 118.434 0.3 . 1 . . . . . 16 THR N . 50353 1 143 . 1 . 1 17 17 ALA H H 1 8.19 0.03 . 1 . . . . . 17 ALA H . 50353 1 144 . 1 . 1 17 17 ALA HA H 1 4.165 0.03 . 1 . . . . . 17 ALA HA . 50353 1 145 . 1 . 1 17 17 ALA HB1 H 1 1.733 0.03 . 1 . . . . . 17 ALA HB1 . 50353 1 146 . 1 . 1 17 17 ALA HB2 H 1 1.733 0.03 . 1 . . . . . 17 ALA HB2 . 50353 1 147 . 1 . 1 17 17 ALA HB3 H 1 1.733 0.03 . 1 . . . . . 17 ALA HB3 . 50353 1 148 . 1 . 1 17 17 ALA C C 13 179.008 0.3 . 1 . . . . . 17 ALA C . 50353 1 149 . 1 . 1 17 17 ALA CA C 13 56.298 0.3 . 1 . . . . . 17 ALA CA . 50353 1 150 . 1 . 1 17 17 ALA CB C 13 19.805 0.3 . 1 . . . . . 17 ALA CB . 50353 1 151 . 1 . 1 17 17 ALA N N 15 125.681 0.3 . 1 . . . . . 17 ALA N . 50353 1 152 . 1 . 1 18 18 ASP H H 1 8.278 0.03 . 1 . . . . . 18 ASP H . 50353 1 153 . 1 . 1 18 18 ASP HA H 1 4.465 0.03 . 1 . . . . . 18 ASP HA . 50353 1 154 . 1 . 1 18 18 ASP HB2 H 1 2.749 0.03 . 2 . . . . . 18 ASP HB2 . 50353 1 155 . 1 . 1 18 18 ASP HB3 H 1 2.993 0.03 . 2 . . . . . 18 ASP HB3 . 50353 1 156 . 1 . 1 18 18 ASP C C 13 178.419 0.3 . 1 . . . . . 18 ASP C . 50353 1 157 . 1 . 1 18 18 ASP CA C 13 57.22 0.3 . 1 . . . . . 18 ASP CA . 50353 1 158 . 1 . 1 18 18 ASP CB C 13 42.542 0.3 . 1 . . . . . 18 ASP CB . 50353 1 159 . 1 . 1 18 18 ASP CG C 13 179.223 0.3 . 1 . . . . . 18 ASP CG . 50353 1 160 . 1 . 1 18 18 ASP N N 15 116.416 0.3 . 1 . . . . . 18 ASP N . 50353 1 161 . 1 . 1 19 19 ALA H H 1 7.643 0.03 . 1 . . . . . 19 ALA H . 50353 1 162 . 1 . 1 19 19 ALA HA H 1 4.064 0.03 . 1 . . . . . 19 ALA HA . 50353 1 163 . 1 . 1 19 19 ALA HB1 H 1 1.541 0.03 . 1 . . . . . 19 ALA HB1 . 50353 1 164 . 1 . 1 19 19 ALA HB2 H 1 1.541 0.03 . 1 . . . . . 19 ALA HB2 . 50353 1 165 . 1 . 1 19 19 ALA HB3 H 1 1.541 0.03 . 1 . . . . . 19 ALA HB3 . 50353 1 166 . 1 . 1 19 19 ALA C C 13 179.56 0.3 . 1 . . . . . 19 ALA C . 50353 1 167 . 1 . 1 19 19 ALA CA C 13 55.108 0.3 . 1 . . . . . 19 ALA CA . 50353 1 168 . 1 . 1 19 19 ALA CB C 13 18.464 0.3 . 1 . . . . . 19 ALA CB . 50353 1 169 . 1 . 1 19 19 ALA N N 15 120.172 0.3 . 1 . . . . . 19 ALA N . 50353 1 170 . 1 . 1 20 20 PHE H H 1 9.101 0.03 . 1 . . . . . 20 PHE H . 50353 1 171 . 1 . 1 20 20 PHE HA H 1 4.156 0.03 . 1 . . . . . 20 PHE HA . 50353 1 172 . 1 . 1 20 20 PHE HB2 H 1 2.922 0.03 . 2 . . . . . 20 PHE HB2 . 50353 1 173 . 1 . 1 20 20 PHE HB3 H 1 3.116 0.03 . 2 . . . . . 20 PHE HB3 . 50353 1 174 . 1 . 1 20 20 PHE HD1 H 1 6.495 0.03 . 1 . . . . . 20 PHE HD1 . 50353 1 175 . 1 . 1 20 20 PHE HD2 H 1 6.495 0.03 . 1 . . . . . 20 PHE HD2 . 50353 1 176 . 1 . 1 20 20 PHE HE1 H 1 5.752 0.03 . 1 . . . . . 20 PHE HE1 . 50353 1 177 . 1 . 1 20 20 PHE HE2 H 1 5.752 0.03 . 1 . . . . . 20 PHE HE2 . 50353 1 178 . 1 . 1 20 20 PHE HZ H 1 6.381 0.03 . 1 . . . . . 20 PHE HZ . 50353 1 179 . 1 . 1 20 20 PHE C C 13 177.486 0.3 . 1 . . . . . 20 PHE C . 50353 1 180 . 1 . 1 20 20 PHE CA C 13 62.004 0.3 . 1 . . . . . 20 PHE CA . 50353 1 181 . 1 . 1 20 20 PHE CB C 13 39.873 0.3 . 1 . . . . . 20 PHE CB . 50353 1 182 . 1 . 1 20 20 PHE CD1 C 13 130.679 0.3 . 1 . . . . . 20 PHE CD1 . 50353 1 183 . 1 . 1 20 20 PHE CD2 C 13 130.679 0.3 . 1 . . . . . 20 PHE CD2 . 50353 1 184 . 1 . 1 20 20 PHE CE1 C 13 129.038 0.3 . 1 . . . . . 20 PHE CE1 . 50353 1 185 . 1 . 1 20 20 PHE CE2 C 13 129.038 0.3 . 1 . . . . . 20 PHE CE2 . 50353 1 186 . 1 . 1 20 20 PHE CZ C 13 128.694 0.3 . 1 . . . . . 20 PHE CZ . 50353 1 187 . 1 . 1 20 20 PHE N N 15 119.587 0.3 . 1 . . . . . 20 PHE N . 50353 1 188 . 1 . 1 21 21 ILE H H 1 8.77 0.03 . 1 . . . . . 21 ILE H . 50353 1 189 . 1 . 1 21 21 ILE HA H 1 3.66 0.03 . 1 . . . . . 21 ILE HA . 50353 1 190 . 1 . 1 21 21 ILE HB H 1 2.398 0.03 . 1 . . . . . 21 ILE HB . 50353 1 191 . 1 . 1 21 21 ILE HG12 H 1 1.597 0.03 . 2 . . . . . 21 ILE HG12 . 50353 1 192 . 1 . 1 21 21 ILE HG13 H 1 2.205 0.03 . 2 . . . . . 21 ILE HG13 . 50353 1 193 . 1 . 1 21 21 ILE HG21 H 1 1.042 0.03 . 1 . . . . . 21 ILE HG21 . 50353 1 194 . 1 . 1 21 21 ILE HG22 H 1 1.042 0.03 . 1 . . . . . 21 ILE HG22 . 50353 1 195 . 1 . 1 21 21 ILE HG23 H 1 1.042 0.03 . 1 . . . . . 21 ILE HG23 . 50353 1 196 . 1 . 1 21 21 ILE HD11 H 1 1.132 0.03 . 1 . . . . . 21 ILE HD11 . 50353 1 197 . 1 . 1 21 21 ILE HD12 H 1 1.132 0.03 . 1 . . . . . 21 ILE HD12 . 50353 1 198 . 1 . 1 21 21 ILE HD13 H 1 1.132 0.03 . 1 . . . . . 21 ILE HD13 . 50353 1 199 . 1 . 1 21 21 ILE C C 13 178.116 0.3 . 1 . . . . . 21 ILE C . 50353 1 200 . 1 . 1 21 21 ILE CA C 13 64.757 0.3 . 1 . . . . . 21 ILE CA . 50353 1 201 . 1 . 1 21 21 ILE CB C 13 36.933 0.3 . 1 . . . . . 21 ILE CB . 50353 1 202 . 1 . 1 21 21 ILE CG1 C 13 30.036 0.3 . 1 . . . . . 21 ILE CG1 . 50353 1 203 . 1 . 1 21 21 ILE CG2 C 13 18.223 0.3 . 1 . . . . . 21 ILE CG2 . 50353 1 204 . 1 . 1 21 21 ILE CD1 C 13 12.676 0.3 . 1 . . . . . 21 ILE CD1 . 50353 1 205 . 1 . 1 21 21 ILE N N 15 119.438 0.3 . 1 . . . . . 21 ILE N . 50353 1 206 . 1 . 1 22 22 GLN H H 1 8.473 0.03 . 1 . . . . . 22 GLN H . 50353 1 207 . 1 . 1 22 22 GLN HA H 1 4.021 0.03 . 1 . . . . . 22 GLN HA . 50353 1 208 . 1 . 1 22 22 GLN HB2 H 1 2.148 0.03 . 1 . . . . . 22 GLN HB2 . 50353 1 209 . 1 . 1 22 22 GLN HB3 H 1 2.148 0.03 . 1 . . . . . 22 GLN HB3 . 50353 1 210 . 1 . 1 22 22 GLN HG2 H 1 2.523 0.03 . 2 . . . . . 22 GLN HG2 . 50353 1 211 . 1 . 1 22 22 GLN HG3 H 1 2.57 0.03 . 2 . . . . . 22 GLN HG3 . 50353 1 212 . 1 . 1 22 22 GLN HE21 H 1 7.738 0.03 . 2 . . . . . 22 GLN HE21 . 50353 1 213 . 1 . 1 22 22 GLN HE22 H 1 6.825 0.03 . 2 . . . . . 22 GLN HE22 . 50353 1 214 . 1 . 1 22 22 GLN C C 13 179.959 0.3 . 1 . . . . . 22 GLN C . 50353 1 215 . 1 . 1 22 22 GLN CA C 13 59.484 0.3 . 1 . . . . . 22 GLN CA . 50353 1 216 . 1 . 1 22 22 GLN CB C 13 28.152 0.3 . 1 . . . . . 22 GLN CB . 50353 1 217 . 1 . 1 22 22 GLN CG C 13 33.944 0.3 . 1 . . . . . 22 GLN CG . 50353 1 218 . 1 . 1 22 22 GLN CD C 13 180.137 0.3 . 1 . . . . . 22 GLN CD . 50353 1 219 . 1 . 1 22 22 GLN N N 15 118.143 0.3 . 1 . . . . . 22 GLN N . 50353 1 220 . 1 . 1 22 22 GLN NE2 N 15 114.23 0.3 . 1 . . . . . 22 GLN NE2 . 50353 1 221 . 1 . 1 23 23 ASN H H 1 8.447 0.03 . 1 . . . . . 23 ASN H . 50353 1 222 . 1 . 1 23 23 ASN HA H 1 4.528 0.03 . 1 . . . . . 23 ASN HA . 50353 1 223 . 1 . 1 23 23 ASN HB2 H 1 2.659 0.03 . 1 . . . . . 23 ASN HB2 . 50353 1 224 . 1 . 1 23 23 ASN HB3 H 1 2.659 0.03 . 1 . . . . . 23 ASN HB3 . 50353 1 225 . 1 . 1 23 23 ASN HD21 H 1 7.394 0.03 . 2 . . . . . 23 ASN HD21 . 50353 1 226 . 1 . 1 23 23 ASN HD22 H 1 7.238 0.03 . 2 . . . . . 23 ASN HD22 . 50353 1 227 . 1 . 1 23 23 ASN C C 13 177.033 0.3 . 1 . . . . . 23 ASN C . 50353 1 228 . 1 . 1 23 23 ASN CA C 13 56.241 0.3 . 1 . . . . . 23 ASN CA . 50353 1 229 . 1 . 1 23 23 ASN CB C 13 38.302 0.3 . 1 . . . . . 23 ASN CB . 50353 1 230 . 1 . 1 23 23 ASN CG C 13 175.819 0.3 . 1 . . . . . 23 ASN CG . 50353 1 231 . 1 . 1 23 23 ASN N N 15 118.773 0.3 . 1 . . . . . 23 ASN N . 50353 1 232 . 1 . 1 23 23 ASN ND2 N 15 114.462 0.3 . 1 . . . . . 23 ASN ND2 . 50353 1 233 . 1 . 1 24 24 PHE H H 1 8.918 0.03 . 1 . . . . . 24 PHE H . 50353 1 234 . 1 . 1 24 24 PHE HA H 1 3.937 0.03 . 1 . . . . . 24 PHE HA . 50353 1 235 . 1 . 1 24 24 PHE HB2 H 1 3.173 0.03 . 2 . . . . . 24 PHE HB2 . 50353 1 236 . 1 . 1 24 24 PHE HB3 H 1 2.416 0.03 . 2 . . . . . 24 PHE HB3 . 50353 1 237 . 1 . 1 24 24 PHE HD1 H 1 7.036 0.03 . 3 . . . . . 24 PHE HD1 . 50353 1 238 . 1 . 1 24 24 PHE HD2 H 1 6.957 0.03 . 3 . . . . . 24 PHE HD2 . 50353 1 239 . 1 . 1 24 24 PHE HE1 H 1 7.355 0.03 . 1 . . . . . 24 PHE HE1 . 50353 1 240 . 1 . 1 24 24 PHE HE2 H 1 7.355 0.03 . 1 . . . . . 24 PHE HE2 . 50353 1 241 . 1 . 1 24 24 PHE HZ H 1 5.855 0.03 . 1 . . . . . 24 PHE HZ . 50353 1 242 . 1 . 1 24 24 PHE C C 13 176.027 0.3 . 1 . . . . . 24 PHE C . 50353 1 243 . 1 . 1 24 24 PHE CA C 13 61.467 0.3 . 1 . . . . . 24 PHE CA . 50353 1 244 . 1 . 1 24 24 PHE CB C 13 38.616 0.3 . 1 . . . . . 24 PHE CB . 50353 1 245 . 1 . 1 24 24 PHE CD1 C 13 130.863 0.3 . 1 . . . . . 24 PHE CD1 . 50353 1 246 . 1 . 1 24 24 PHE CD2 C 13 130.863 0.3 . 1 . . . . . 24 PHE CD2 . 50353 1 247 . 1 . 1 24 24 PHE CE1 C 13 132.418 0.3 . 1 . . . . . 24 PHE CE1 . 50353 1 248 . 1 . 1 24 24 PHE CE2 C 13 132.418 0.3 . 1 . . . . . 24 PHE CE2 . 50353 1 249 . 1 . 1 24 24 PHE N N 15 124.396 0.3 . 1 . . . . . 24 PHE N . 50353 1 250 . 1 . 1 25 25 LEU H H 1 8.755 0.03 . 1 . . . . . 25 LEU H . 50353 1 251 . 1 . 1 25 25 LEU HA H 1 3.694 0.03 . 1 . . . . . 25 LEU HA . 50353 1 252 . 1 . 1 25 25 LEU HB2 H 1 1.883 0.03 . 2 . . . . . 25 LEU HB2 . 50353 1 253 . 1 . 1 25 25 LEU HB3 H 1 1.388 0.03 . 2 . . . . . 25 LEU HB3 . 50353 1 254 . 1 . 1 25 25 LEU HG H 1 2.051 0.03 . 1 . . . . . 25 LEU HG . 50353 1 255 . 1 . 1 25 25 LEU HD11 H 1 0.778 0.03 . 2 . . . . . 25 LEU HD11 . 50353 1 256 . 1 . 1 25 25 LEU HD12 H 1 0.778 0.03 . 2 . . . . . 25 LEU HD12 . 50353 1 257 . 1 . 1 25 25 LEU HD13 H 1 0.778 0.03 . 2 . . . . . 25 LEU HD13 . 50353 1 258 . 1 . 1 25 25 LEU HD21 H 1 0.949 0.03 . 2 . . . . . 25 LEU HD21 . 50353 1 259 . 1 . 1 25 25 LEU HD22 H 1 0.949 0.03 . 2 . . . . . 25 LEU HD22 . 50353 1 260 . 1 . 1 25 25 LEU HD23 H 1 0.949 0.03 . 2 . . . . . 25 LEU HD23 . 50353 1 261 . 1 . 1 25 25 LEU C C 13 180.268 0.3 . 1 . . . . . 25 LEU C . 50353 1 262 . 1 . 1 25 25 LEU CA C 13 57.242 0.3 . 1 . . . . . 25 LEU CA . 50353 1 263 . 1 . 1 25 25 LEU CB C 13 41.121 0.3 . 1 . . . . . 25 LEU CB . 50353 1 264 . 1 . 1 25 25 LEU CG C 13 26.956 0.3 . 1 . . . . . 25 LEU CG . 50353 1 265 . 1 . 1 25 25 LEU CD1 C 13 22.266 0.3 . 2 . . . . . 25 LEU CD1 . 50353 1 266 . 1 . 1 25 25 LEU CD2 C 13 26.277 0.3 . 2 . . . . . 25 LEU CD2 . 50353 1 267 . 1 . 1 25 25 LEU N N 15 119.55 0.3 . 1 . . . . . 25 LEU N . 50353 1 268 . 1 . 1 26 26 ALA H H 1 7.848 0.03 . 1 . . . . . 26 ALA H . 50353 1 269 . 1 . 1 26 26 ALA HA H 1 4.062 0.03 . 1 . . . . . 26 ALA HA . 50353 1 270 . 1 . 1 26 26 ALA HB1 H 1 1.508 0.03 . 1 . . . . . 26 ALA HB1 . 50353 1 271 . 1 . 1 26 26 ALA HB2 H 1 1.508 0.03 . 1 . . . . . 26 ALA HB2 . 50353 1 272 . 1 . 1 26 26 ALA HB3 H 1 1.508 0.03 . 1 . . . . . 26 ALA HB3 . 50353 1 273 . 1 . 1 26 26 ALA C C 13 180.532 0.3 . 1 . . . . . 26 ALA C . 50353 1 274 . 1 . 1 26 26 ALA CA C 13 55.076 0.3 . 1 . . . . . 26 ALA CA . 50353 1 275 . 1 . 1 26 26 ALA CB C 13 17.937 0.3 . 1 . . . . . 26 ALA CB . 50353 1 276 . 1 . 1 26 26 ALA N N 15 122.686 0.3 . 1 . . . . . 26 ALA N . 50353 1 277 . 1 . 1 27 27 ALA H H 1 7.943 0.03 . 1 . . . . . 27 ALA H . 50353 1 278 . 1 . 1 27 27 ALA HA H 1 4.154 0.03 . 1 . . . . . 27 ALA HA . 50353 1 279 . 1 . 1 27 27 ALA HB1 H 1 1.583 0.03 . 1 . . . . . 27 ALA HB1 . 50353 1 280 . 1 . 1 27 27 ALA HB2 H 1 1.583 0.03 . 1 . . . . . 27 ALA HB2 . 50353 1 281 . 1 . 1 27 27 ALA HB3 H 1 1.583 0.03 . 1 . . . . . 27 ALA HB3 . 50353 1 282 . 1 . 1 27 27 ALA C C 13 181.329 0.3 . 1 . . . . . 27 ALA C . 50353 1 283 . 1 . 1 27 27 ALA CA C 13 54.979 0.3 . 1 . . . . . 27 ALA CA . 50353 1 284 . 1 . 1 27 27 ALA CB C 13 18.697 0.3 . 1 . . . . . 27 ALA CB . 50353 1 285 . 1 . 1 27 27 ALA N N 15 121.845 0.3 . 1 . . . . . 27 ALA N . 50353 1 286 . 1 . 1 28 28 VAL H H 1 8.491 0.03 . 1 . . . . . 28 VAL H . 50353 1 287 . 1 . 1 28 28 VAL HA H 1 4.099 0.03 . 1 . . . . . 28 VAL HA . 50353 1 288 . 1 . 1 28 28 VAL HB H 1 1.771 0.03 . 1 . . . . . 28 VAL HB . 50353 1 289 . 1 . 1 28 28 VAL HG11 H 1 0.609 0.03 . 2 . . . . . 28 VAL HG11 . 50353 1 290 . 1 . 1 28 28 VAL HG12 H 1 0.609 0.03 . 2 . . . . . 28 VAL HG12 . 50353 1 291 . 1 . 1 28 28 VAL HG13 H 1 0.609 0.03 . 2 . . . . . 28 VAL HG13 . 50353 1 292 . 1 . 1 28 28 VAL HG21 H 1 0.548 0.03 . 2 . . . . . 28 VAL HG21 . 50353 1 293 . 1 . 1 28 28 VAL HG22 H 1 0.548 0.03 . 2 . . . . . 28 VAL HG22 . 50353 1 294 . 1 . 1 28 28 VAL HG23 H 1 0.548 0.03 . 2 . . . . . 28 VAL HG23 . 50353 1 295 . 1 . 1 28 28 VAL C C 13 180.654 0.3 . 1 . . . . . 28 VAL C . 50353 1 296 . 1 . 1 28 28 VAL CA C 13 65.247 0.3 . 1 . . . . . 28 VAL CA . 50353 1 297 . 1 . 1 28 28 VAL CB C 13 31.424 0.3 . 1 . . . . . 28 VAL CB . 50353 1 298 . 1 . 1 28 28 VAL CG1 C 13 20.953 0.3 . 2 . . . . . 28 VAL CG1 . 50353 1 299 . 1 . 1 28 28 VAL CG2 C 13 22.824 0.3 . 2 . . . . . 28 VAL CG2 . 50353 1 300 . 1 . 1 28 28 VAL N N 15 114.2 0.3 . 1 . . . . . 28 VAL N . 50353 1 301 . 1 . 1 29 29 SER H H 1 8.193 0.03 . 1 . . . . . 29 SER H . 50353 1 302 . 1 . 1 29 29 SER HA H 1 4.289 0.03 . 1 . . . . . 29 SER HA . 50353 1 303 . 1 . 1 29 29 SER HB2 H 1 4.049 0.03 . 1 . . . . . 29 SER HB2 . 50353 1 304 . 1 . 1 29 29 SER HB3 H 1 4.049 0.03 . 1 . . . . . 29 SER HB3 . 50353 1 305 . 1 . 1 29 29 SER C C 13 175.921 0.3 . 1 . . . . . 29 SER C . 50353 1 306 . 1 . 1 29 29 SER CA C 13 61.987 0.3 . 1 . . . . . 29 SER CA . 50353 1 307 . 1 . 1 29 29 SER CB C 13 63.904 0.3 . 1 . . . . . 29 SER CB . 50353 1 308 . 1 . 1 29 29 SER N N 15 119.69 0.3 . 1 . . . . . 29 SER N . 50353 1 309 . 1 . 1 30 30 GLY H H 1 7.594 0.03 . 1 . . . . . 30 GLY H . 50353 1 310 . 1 . 1 30 30 GLY HA2 H 1 4.29 0.03 . 2 . . . . . 30 GLY HA2 . 50353 1 311 . 1 . 1 30 30 GLY HA3 H 1 3.872 0.03 . 2 . . . . . 30 GLY HA3 . 50353 1 312 . 1 . 1 30 30 GLY C C 13 175.19 0.3 . 1 . . . . . 30 GLY C . 50353 1 313 . 1 . 1 30 30 GLY CA C 13 45.469 0.3 . 1 . . . . . 30 GLY CA . 50353 1 314 . 1 . 1 30 30 GLY N N 15 107.224 0.3 . 1 . . . . . 30 GLY N . 50353 1 315 . 1 . 1 31 31 SER H H 1 7.568 0.03 . 1 . . . . . 31 SER H . 50353 1 316 . 1 . 1 31 31 SER HA H 1 4.263 0.03 . 1 . . . . . 31 SER HA . 50353 1 317 . 1 . 1 31 31 SER HB2 H 1 4.344 0.03 . 2 . . . . . 31 SER HB2 . 50353 1 318 . 1 . 1 31 31 SER HB3 H 1 4.064 0.03 . 2 . . . . . 31 SER HB3 . 50353 1 319 . 1 . 1 31 31 SER HG H 1 5.627 0.03 . 1 . . . . . 31 SER HG . 50353 1 320 . 1 . 1 31 31 SER C C 13 175.92 0.3 . 1 . . . . . 31 SER C . 50353 1 321 . 1 . 1 31 31 SER CA C 13 60.828 0.3 . 1 . . . . . 31 SER CA . 50353 1 322 . 1 . 1 31 31 SER CB C 13 65.096 0.3 . 1 . . . . . 31 SER CB . 50353 1 323 . 1 . 1 31 31 SER N N 15 114.687 0.3 . 1 . . . . . 31 SER N . 50353 1 324 . 1 . 1 32 32 GLY H H 1 7.836 0.03 . 1 . . . . . 32 GLY H . 50353 1 325 . 1 . 1 32 32 GLY HA2 H 1 4.178 0.03 . 2 . . . . . 32 GLY HA2 . 50353 1 326 . 1 . 1 32 32 GLY HA3 H 1 3.946 0.03 . 2 . . . . . 32 GLY HA3 . 50353 1 327 . 1 . 1 32 32 GLY C C 13 174.137 0.3 . 1 . . . . . 32 GLY C . 50353 1 328 . 1 . 1 32 32 GLY CA C 13 45.916 0.3 . 1 . . . . . 32 GLY CA . 50353 1 329 . 1 . 1 32 32 GLY N N 15 110.63 0.3 . 1 . . . . . 32 GLY N . 50353 1 330 . 1 . 1 33 33 ALA H H 1 7.946 0.03 . 1 . . . . . 33 ALA H . 50353 1 331 . 1 . 1 33 33 ALA HA H 1 4.062 0.03 . 1 . . . . . 33 ALA HA . 50353 1 332 . 1 . 1 33 33 ALA HB1 H 1 0.825 0.03 . 1 . . . . . 33 ALA HB1 . 50353 1 333 . 1 . 1 33 33 ALA HB2 H 1 0.825 0.03 . 1 . . . . . 33 ALA HB2 . 50353 1 334 . 1 . 1 33 33 ALA HB3 H 1 0.825 0.03 . 1 . . . . . 33 ALA HB3 . 50353 1 335 . 1 . 1 33 33 ALA C C 13 175.061 0.3 . 1 . . . . . 33 ALA C . 50353 1 336 . 1 . 1 33 33 ALA CA C 13 52.852 0.3 . 1 . . . . . 33 ALA CA . 50353 1 337 . 1 . 1 33 33 ALA CB C 13 19.691 0.3 . 1 . . . . . 33 ALA CB . 50353 1 338 . 1 . 1 33 33 ALA N N 15 121.13 0.3 . 1 . . . . . 33 ALA N . 50353 1 339 . 1 . 1 34 34 PHE H H 1 7.79 0.03 . 1 . . . . . 34 PHE H . 50353 1 340 . 1 . 1 34 34 PHE HA H 1 4.901 0.03 . 1 . . . . . 34 PHE HA . 50353 1 341 . 1 . 1 34 34 PHE HB2 H 1 2.62 0.03 . 2 . . . . . 34 PHE HB2 . 50353 1 342 . 1 . 1 34 34 PHE HB3 H 1 3.145 0.03 . 2 . . . . . 34 PHE HB3 . 50353 1 343 . 1 . 1 34 34 PHE HD1 H 1 7.112 0.03 . 3 . . . . . 34 PHE HD1 . 50353 1 344 . 1 . 1 34 34 PHE HD2 H 1 7.019 0.03 . 3 . . . . . 34 PHE HD2 . 50353 1 345 . 1 . 1 34 34 PHE HE1 H 1 6.9 0.03 . 1 . . . . . 34 PHE HE1 . 50353 1 346 . 1 . 1 34 34 PHE HE2 H 1 6.9 0.03 . 1 . . . . . 34 PHE HE2 . 50353 1 347 . 1 . 1 34 34 PHE HZ H 1 7.267 0.03 . 1 . . . . . 34 PHE HZ . 50353 1 348 . 1 . 1 34 34 PHE C C 13 175.872 0.3 . 1 . . . . . 34 PHE C . 50353 1 349 . 1 . 1 34 34 PHE CA C 13 56.422 0.3 . 1 . . . . . 34 PHE CA . 50353 1 350 . 1 . 1 34 34 PHE CB C 13 42.197 0.3 . 1 . . . . . 34 PHE CB . 50353 1 351 . 1 . 1 34 34 PHE CD1 C 13 132.245 0.3 . 1 . . . . . 34 PHE CD1 . 50353 1 352 . 1 . 1 34 34 PHE CD2 C 13 132.245 0.3 . 1 . . . . . 34 PHE CD2 . 50353 1 353 . 1 . 1 34 34 PHE CE1 C 13 131.102 0.3 . 1 . . . . . 34 PHE CE1 . 50353 1 354 . 1 . 1 34 34 PHE CE2 C 13 131.102 0.3 . 1 . . . . . 34 PHE CE2 . 50353 1 355 . 1 . 1 34 34 PHE N N 15 113.047 0.3 . 1 . . . . . 34 PHE N . 50353 1 356 . 1 . 1 35 35 THR H H 1 8.739 0.03 . 1 . . . . . 35 THR H . 50353 1 357 . 1 . 1 35 35 THR HA H 1 4.465 0.03 . 1 . . . . . 35 THR HA . 50353 1 358 . 1 . 1 35 35 THR HB H 1 4.776 0.03 . 1 . . . . . 35 THR HB . 50353 1 359 . 1 . 1 35 35 THR HG21 H 1 1.311 0.03 . 1 . . . . . 35 THR HG21 . 50353 1 360 . 1 . 1 35 35 THR HG22 H 1 1.311 0.03 . 1 . . . . . 35 THR HG22 . 50353 1 361 . 1 . 1 35 35 THR HG23 H 1 1.311 0.03 . 1 . . . . . 35 THR HG23 . 50353 1 362 . 1 . 1 35 35 THR C C 13 176.751 0.3 . 1 . . . . . 35 THR C . 50353 1 363 . 1 . 1 35 35 THR CA C 13 60.692 0.3 . 1 . . . . . 35 THR CA . 50353 1 364 . 1 . 1 35 35 THR CB C 13 70.912 0.3 . 1 . . . . . 35 THR CB . 50353 1 365 . 1 . 1 35 35 THR CG2 C 13 21.996 0.3 . 1 . . . . . 35 THR CG2 . 50353 1 366 . 1 . 1 35 35 THR N N 15 113.086 0.3 . 1 . . . . . 35 THR N . 50353 1 367 . 1 . 1 36 36 SER H H 1 9.077 0.03 . 1 . . . . . 36 SER H . 50353 1 368 . 1 . 1 36 36 SER HA H 1 4.47 0.03 . 1 . . . . . 36 SER HA . 50353 1 369 . 1 . 1 36 36 SER HB2 H 1 4.021 0.03 . 1 . . . . . 36 SER HB2 . 50353 1 370 . 1 . 1 36 36 SER HB3 H 1 4.021 0.03 . 1 . . . . . 36 SER HB3 . 50353 1 371 . 1 . 1 36 36 SER C C 13 176.751 0.3 . 1 . . . . . 36 SER C . 50353 1 372 . 1 . 1 36 36 SER CA C 13 62.079 0.3 . 1 . . . . . 36 SER CA . 50353 1 373 . 1 . 1 36 36 SER CB C 13 62.668 0.3 . 1 . . . . . 36 SER CB . 50353 1 374 . 1 . 1 36 36 SER N N 15 116.337 0.3 . 1 . . . . . 36 SER N . 50353 1 375 . 1 . 1 37 37 ASP H H 1 8.221 0.03 . 1 . . . . . 37 ASP H . 50353 1 376 . 1 . 1 37 37 ASP HA H 1 4.43 0.03 . 1 . . . . . 37 ASP HA . 50353 1 377 . 1 . 1 37 37 ASP HB2 H 1 2.564 0.03 . 2 . . . . . 37 ASP HB2 . 50353 1 378 . 1 . 1 37 37 ASP HB3 H 1 2.785 0.03 . 2 . . . . . 37 ASP HB3 . 50353 1 379 . 1 . 1 37 37 ASP C C 13 178.431 0.3 . 1 . . . . . 37 ASP C . 50353 1 380 . 1 . 1 37 37 ASP CA C 13 57.455 0.3 . 1 . . . . . 37 ASP CA . 50353 1 381 . 1 . 1 37 37 ASP CB C 13 40.285 0.3 . 1 . . . . . 37 ASP CB . 50353 1 382 . 1 . 1 37 37 ASP CG C 13 180.083 0.3 . 1 . . . . . 37 ASP CG . 50353 1 383 . 1 . 1 37 37 ASP N N 15 119.984 0.3 . 1 . . . . . 37 ASP N . 50353 1 384 . 1 . 1 38 38 GLN H H 1 7.567 0.03 . 1 . . . . . 38 GLN H . 50353 1 385 . 1 . 1 38 38 GLN HA H 1 4.197 0.03 . 1 . . . . . 38 GLN HA . 50353 1 386 . 1 . 1 38 38 GLN HB2 H 1 1.851 0.03 . 2 . . . . . 38 GLN HB2 . 50353 1 387 . 1 . 1 38 38 GLN HB3 H 1 2.658 0.03 . 2 . . . . . 38 GLN HB3 . 50353 1 388 . 1 . 1 38 38 GLN HG2 H 1 2.636 0.03 . 1 . . . . . 38 GLN HG2 . 50353 1 389 . 1 . 1 38 38 GLN HG3 H 1 2.636 0.03 . 1 . . . . . 38 GLN HG3 . 50353 1 390 . 1 . 1 38 38 GLN HE21 H 1 7.728 0.03 . 2 . . . . . 38 GLN HE21 . 50353 1 391 . 1 . 1 38 38 GLN HE22 H 1 6.787 0.03 . 2 . . . . . 38 GLN HE22 . 50353 1 392 . 1 . 1 38 38 GLN C C 13 178.899 0.3 . 1 . . . . . 38 GLN C . 50353 1 393 . 1 . 1 38 38 GLN CA C 13 58.642 0.3 . 1 . . . . . 38 GLN CA . 50353 1 394 . 1 . 1 38 38 GLN CB C 13 28.74 0.3 . 1 . . . . . 38 GLN CB . 50353 1 395 . 1 . 1 38 38 GLN CG C 13 34.878 0.3 . 1 . . . . . 38 GLN CG . 50353 1 396 . 1 . 1 38 38 GLN N N 15 119.582 0.3 . 1 . . . . . 38 GLN N . 50353 1 397 . 1 . 1 38 38 GLN NE2 N 15 111.083 0.3 . 1 . . . . . 38 GLN NE2 . 50353 1 398 . 1 . 1 39 39 LEU H H 1 8.392 0.03 . 1 . . . . . 39 LEU H . 50353 1 399 . 1 . 1 39 39 LEU HA H 1 3.928 0.03 . 1 . . . . . 39 LEU HA . 50353 1 400 . 1 . 1 39 39 LEU HB2 H 1 1.978 0.03 . 2 . . . . . 39 LEU HB2 . 50353 1 401 . 1 . 1 39 39 LEU HB3 H 1 1.433 0.03 . 2 . . . . . 39 LEU HB3 . 50353 1 402 . 1 . 1 39 39 LEU HG H 1 1.746 0.03 . 1 . . . . . 39 LEU HG . 50353 1 403 . 1 . 1 39 39 LEU HD11 H 1 0.936 0.03 . 2 . . . . . 39 LEU HD11 . 50353 1 404 . 1 . 1 39 39 LEU HD12 H 1 0.936 0.03 . 2 . . . . . 39 LEU HD12 . 50353 1 405 . 1 . 1 39 39 LEU HD13 H 1 0.936 0.03 . 2 . . . . . 39 LEU HD13 . 50353 1 406 . 1 . 1 39 39 LEU HD21 H 1 0.707 0.03 . 2 . . . . . 39 LEU HD21 . 50353 1 407 . 1 . 1 39 39 LEU HD22 H 1 0.707 0.03 . 2 . . . . . 39 LEU HD22 . 50353 1 408 . 1 . 1 39 39 LEU HD23 H 1 0.707 0.03 . 2 . . . . . 39 LEU HD23 . 50353 1 409 . 1 . 1 39 39 LEU C C 13 180.27 0.3 . 1 . . . . . 39 LEU C . 50353 1 410 . 1 . 1 39 39 LEU CA C 13 57.678 0.3 . 1 . . . . . 39 LEU CA . 50353 1 411 . 1 . 1 39 39 LEU CB C 13 40.799 0.3 . 1 . . . . . 39 LEU CB . 50353 1 412 . 1 . 1 39 39 LEU CG C 13 26.987 0.3 . 1 . . . . . 39 LEU CG . 50353 1 413 . 1 . 1 39 39 LEU CD1 C 13 26.016 0.3 . 2 . . . . . 39 LEU CD1 . 50353 1 414 . 1 . 1 39 39 LEU CD2 C 13 22.879 0.3 . 2 . . . . . 39 LEU CD2 . 50353 1 415 . 1 . 1 39 39 LEU N N 15 119.916 0.3 . 1 . . . . . 39 LEU N . 50353 1 416 . 1 . 1 40 40 ASP H H 1 8.241 0.03 . 1 . . . . . 40 ASP H . 50353 1 417 . 1 . 1 40 40 ASP HA H 1 4.425 0.03 . 1 . . . . . 40 ASP HA . 50353 1 418 . 1 . 1 40 40 ASP HB2 H 1 2.906 0.03 . 2 . . . . . 40 ASP HB2 . 50353 1 419 . 1 . 1 40 40 ASP HB3 H 1 2.747 0.03 . 2 . . . . . 40 ASP HB3 . 50353 1 420 . 1 . 1 40 40 ASP C C 13 179.813 0.3 . 1 . . . . . 40 ASP C . 50353 1 421 . 1 . 1 40 40 ASP CA C 13 57.488 0.3 . 1 . . . . . 40 ASP CA . 50353 1 422 . 1 . 1 40 40 ASP CB C 13 40.029 0.3 . 1 . . . . . 40 ASP CB . 50353 1 423 . 1 . 1 40 40 ASP CG C 13 178.702 0.3 . 1 . . . . . 40 ASP CG . 50353 1 424 . 1 . 1 40 40 ASP N N 15 122.183 0.3 . 1 . . . . . 40 ASP N . 50353 1 425 . 1 . 1 41 41 ASP H H 1 7.922 0.03 . 1 . . . . . 41 ASP H . 50353 1 426 . 1 . 1 41 41 ASP HA H 1 4.475 0.03 . 1 . . . . . 41 ASP HA . 50353 1 427 . 1 . 1 41 41 ASP HB2 H 1 2.649 0.03 . 2 . . . . . 41 ASP HB2 . 50353 1 428 . 1 . 1 41 41 ASP HB3 H 1 2.865 0.03 . 2 . . . . . 41 ASP HB3 . 50353 1 429 . 1 . 1 41 41 ASP C C 13 179.216 0.3 . 1 . . . . . 41 ASP C . 50353 1 430 . 1 . 1 41 41 ASP CA C 13 57.553 0.3 . 1 . . . . . 41 ASP CA . 50353 1 431 . 1 . 1 41 41 ASP CB C 13 40.201 0.3 . 1 . . . . . 41 ASP CB . 50353 1 432 . 1 . 1 41 41 ASP CG C 13 178.705 0.3 . 1 . . . . . 41 ASP CG . 50353 1 433 . 1 . 1 41 41 ASP N N 15 122.303 0.3 . 1 . . . . . 41 ASP N . 50353 1 434 . 1 . 1 42 42 MET H H 1 8.475 0.03 . 1 . . . . . 42 MET H . 50353 1 435 . 1 . 1 42 42 MET HA H 1 3.871 0.03 . 1 . . . . . 42 MET HA . 50353 1 436 . 1 . 1 42 42 MET HB2 H 1 1.897 0.03 . 1 . . . . . 42 MET HB2 . 50353 1 437 . 1 . 1 42 42 MET HB3 H 1 1.897 0.03 . 1 . . . . . 42 MET HB3 . 50353 1 438 . 1 . 1 42 42 MET HG2 H 1 2.19 0.03 . 2 . . . . . 42 MET HG2 . 50353 1 439 . 1 . 1 42 42 MET HG3 H 1 2.568 0.03 . 2 . . . . . 42 MET HG3 . 50353 1 440 . 1 . 1 42 42 MET HE1 H 1 1.063 0.03 . 1 . . . . . 42 MET HE1 . 50353 1 441 . 1 . 1 42 42 MET HE2 H 1 1.063 0.03 . 1 . . . . . 42 MET HE2 . 50353 1 442 . 1 . 1 42 42 MET HE3 H 1 1.063 0.03 . 1 . . . . . 42 MET HE3 . 50353 1 443 . 1 . 1 42 42 MET C C 13 177.559 0.3 . 1 . . . . . 42 MET C . 50353 1 444 . 1 . 1 42 42 MET CA C 13 58.879 0.3 . 1 . . . . . 42 MET CA . 50353 1 445 . 1 . 1 42 42 MET CB C 13 33.624 0.3 . 1 . . . . . 42 MET CB . 50353 1 446 . 1 . 1 42 42 MET CG C 13 33.618 0.3 . 1 . . . . . 42 MET CG . 50353 1 447 . 1 . 1 42 42 MET CE C 13 16.238 0.3 . 1 . . . . . 42 MET CE . 50353 1 448 . 1 . 1 42 42 MET N N 15 120.235 0.3 . 1 . . . . . 42 MET N . 50353 1 449 . 1 . 1 43 43 SER H H 1 7.965 0.03 . 1 . . . . . 43 SER H . 50353 1 450 . 1 . 1 43 43 SER HA H 1 4.227 0.03 . 1 . . . . . 43 SER HA . 50353 1 451 . 1 . 1 43 43 SER HB2 H 1 4.171 0.03 . 2 . . . . . 43 SER HB2 . 50353 1 452 . 1 . 1 43 43 SER HB3 H 1 4.111 0.03 . 2 . . . . . 43 SER HB3 . 50353 1 453 . 1 . 1 43 43 SER C C 13 176.199 0.3 . 1 . . . . . 43 SER C . 50353 1 454 . 1 . 1 43 43 SER CA C 13 61.674 0.3 . 1 . . . . . 43 SER CA . 50353 1 455 . 1 . 1 43 43 SER CB C 13 62.959 0.3 . 1 . . . . . 43 SER CB . 50353 1 456 . 1 . 1 43 43 SER N N 15 113.182 0.3 . 1 . . . . . 43 SER N . 50353 1 457 . 1 . 1 44 44 THR H H 1 7.572 0.03 . 1 . . . . . 44 THR H . 50353 1 458 . 1 . 1 44 44 THR HA H 1 4.406 0.03 . 1 . . . . . 44 THR HA . 50353 1 459 . 1 . 1 44 44 THR HB H 1 4.545 0.03 . 1 . . . . . 44 THR HB . 50353 1 460 . 1 . 1 44 44 THR HG21 H 1 1.347 0.03 . 1 . . . . . 44 THR HG21 . 50353 1 461 . 1 . 1 44 44 THR HG22 H 1 1.347 0.03 . 1 . . . . . 44 THR HG22 . 50353 1 462 . 1 . 1 44 44 THR HG23 H 1 1.347 0.03 . 1 . . . . . 44 THR HG23 . 50353 1 463 . 1 . 1 44 44 THR C C 13 176.21 0.3 . 1 . . . . . 44 THR C . 50353 1 464 . 1 . 1 44 44 THR CA C 13 63.799 0.3 . 1 . . . . . 44 THR CA . 50353 1 465 . 1 . 1 44 44 THR CB C 13 69.224 0.3 . 1 . . . . . 44 THR CB . 50353 1 466 . 1 . 1 44 44 THR CG2 C 13 21.667 0.3 . 1 . . . . . 44 THR CG2 . 50353 1 467 . 1 . 1 44 44 THR N N 15 114.196 0.3 . 1 . . . . . 44 THR N . 50353 1 468 . 1 . 1 45 45 ILE H H 1 8.097 0.03 . 1 . . . . . 45 ILE H . 50353 1 469 . 1 . 1 45 45 ILE HA H 1 4.128 0.03 . 1 . . . . . 45 ILE HA . 50353 1 470 . 1 . 1 45 45 ILE HB H 1 2.079 0.03 . 1 . . . . . 45 ILE HB . 50353 1 471 . 1 . 1 45 45 ILE HG12 H 1 1.601 0.03 . 2 . . . . . 45 ILE HG12 . 50353 1 472 . 1 . 1 45 45 ILE HG13 H 1 1.325 0.03 . 2 . . . . . 45 ILE HG13 . 50353 1 473 . 1 . 1 45 45 ILE HG21 H 1 1.082 0.03 . 1 . . . . . 45 ILE HG21 . 50353 1 474 . 1 . 1 45 45 ILE HG22 H 1 1.082 0.03 . 1 . . . . . 45 ILE HG22 . 50353 1 475 . 1 . 1 45 45 ILE HG23 H 1 1.082 0.03 . 1 . . . . . 45 ILE HG23 . 50353 1 476 . 1 . 1 45 45 ILE HD11 H 1 0.874 0.03 . 1 . . . . . 45 ILE HD11 . 50353 1 477 . 1 . 1 45 45 ILE HD12 H 1 0.874 0.03 . 1 . . . . . 45 ILE HD12 . 50353 1 478 . 1 . 1 45 45 ILE HD13 H 1 0.874 0.03 . 1 . . . . . 45 ILE HD13 . 50353 1 479 . 1 . 1 45 45 ILE C C 13 177.229 0.3 . 1 . . . . . 45 ILE C . 50353 1 480 . 1 . 1 45 45 ILE CA C 13 62.618 0.3 . 1 . . . . . 45 ILE CA . 50353 1 481 . 1 . 1 45 45 ILE CB C 13 37.824 0.3 . 1 . . . . . 45 ILE CB . 50353 1 482 . 1 . 1 45 45 ILE CG1 C 13 29.213 0.3 . 1 . . . . . 45 ILE CG1 . 50353 1 483 . 1 . 1 45 45 ILE CG2 C 13 18.882 0.3 . 1 . . . . . 45 ILE CG2 . 50353 1 484 . 1 . 1 45 45 ILE CD1 C 13 14.348 0.3 . 1 . . . . . 45 ILE CD1 . 50353 1 485 . 1 . 1 45 45 ILE N N 15 122.658 0.3 . 1 . . . . . 45 ILE N . 50353 1 486 . 1 . 1 46 46 GLY H H 1 8.182 0.03 . 1 . . . . . 46 GLY H . 50353 1 487 . 1 . 1 46 46 GLY HA2 H 1 4.079 0.03 . 2 . . . . . 46 GLY HA2 . 50353 1 488 . 1 . 1 46 46 GLY HA3 H 1 3.836 0.03 . 2 . . . . . 46 GLY HA3 . 50353 1 489 . 1 . 1 46 46 GLY C C 13 175.021 0.3 . 1 . . . . . 46 GLY C . 50353 1 490 . 1 . 1 46 46 GLY CA C 13 48.073 0.3 . 1 . . . . . 46 GLY CA . 50353 1 491 . 1 . 1 46 46 GLY N N 15 108.644 0.3 . 1 . . . . . 46 GLY N . 50353 1 492 . 1 . 1 47 47 ASP H H 1 7.893 0.03 . 1 . . . . . 47 ASP H . 50353 1 493 . 1 . 1 47 47 ASP HA H 1 4.451 0.03 . 1 . . . . . 47 ASP HA . 50353 1 494 . 1 . 1 47 47 ASP HB2 H 1 2.863 0.03 . 2 . . . . . 47 ASP HB2 . 50353 1 495 . 1 . 1 47 47 ASP HB3 H 1 2.783 0.03 . 2 . . . . . 47 ASP HB3 . 50353 1 496 . 1 . 1 47 47 ASP C C 13 179.313 0.3 . 1 . . . . . 47 ASP C . 50353 1 497 . 1 . 1 47 47 ASP CA C 13 57.499 0.3 . 1 . . . . . 47 ASP CA . 50353 1 498 . 1 . 1 47 47 ASP CB C 13 41.697 0.3 . 1 . . . . . 47 ASP CB . 50353 1 499 . 1 . 1 47 47 ASP CG C 13 179.24 0.3 . 1 . . . . . 47 ASP CG . 50353 1 500 . 1 . 1 47 47 ASP N N 15 121.932 0.3 . 1 . . . . . 47 ASP N . 50353 1 501 . 1 . 1 48 48 THR H H 1 8.12 0.03 . 1 . . . . . 48 THR H . 50353 1 502 . 1 . 1 48 48 THR HA H 1 3.891 0.03 . 1 . . . . . 48 THR HA . 50353 1 503 . 1 . 1 48 48 THR HB H 1 4.372 0.03 . 1 . . . . . 48 THR HB . 50353 1 504 . 1 . 1 48 48 THR HG21 H 1 1.14 0.03 . 1 . . . . . 48 THR HG21 . 50353 1 505 . 1 . 1 48 48 THR HG22 H 1 1.14 0.03 . 1 . . . . . 48 THR HG22 . 50353 1 506 . 1 . 1 48 48 THR HG23 H 1 1.14 0.03 . 1 . . . . . 48 THR HG23 . 50353 1 507 . 1 . 1 48 48 THR C C 13 176.916 0.3 . 1 . . . . . 48 THR C . 50353 1 508 . 1 . 1 48 48 THR CA C 13 66.422 0.3 . 1 . . . . . 48 THR CA . 50353 1 509 . 1 . 1 48 48 THR CB C 13 68.657 0.3 . 1 . . . . . 48 THR CB . 50353 1 510 . 1 . 1 48 48 THR CG2 C 13 21.43 0.3 . 1 . . . . . 48 THR CG2 . 50353 1 511 . 1 . 1 48 48 THR N N 15 118.254 0.3 . 1 . . . . . 48 THR N . 50353 1 512 . 1 . 1 49 49 ILE H H 1 8.463 0.03 . 1 . . . . . 49 ILE H . 50353 1 513 . 1 . 1 49 49 ILE HA H 1 3.639 0.03 . 1 . . . . . 49 ILE HA . 50353 1 514 . 1 . 1 49 49 ILE HB H 1 2.122 0.03 . 1 . . . . . 49 ILE HB . 50353 1 515 . 1 . 1 49 49 ILE HG12 H 1 1.573 0.03 . 2 . . . . . 49 ILE HG12 . 50353 1 516 . 1 . 1 49 49 ILE HG13 H 1 1.273 0.03 . 2 . . . . . 49 ILE HG13 . 50353 1 517 . 1 . 1 49 49 ILE HG21 H 1 0.565 0.03 . 1 . . . . . 49 ILE HG21 . 50353 1 518 . 1 . 1 49 49 ILE HG22 H 1 0.565 0.03 . 1 . . . . . 49 ILE HG22 . 50353 1 519 . 1 . 1 49 49 ILE HG23 H 1 0.565 0.03 . 1 . . . . . 49 ILE HG23 . 50353 1 520 . 1 . 1 49 49 ILE HD11 H 1 0.421 0.03 . 1 . . . . . 49 ILE HD11 . 50353 1 521 . 1 . 1 49 49 ILE HD12 H 1 0.421 0.03 . 1 . . . . . 49 ILE HD12 . 50353 1 522 . 1 . 1 49 49 ILE HD13 H 1 0.421 0.03 . 1 . . . . . 49 ILE HD13 . 50353 1 523 . 1 . 1 49 49 ILE C C 13 177.598 0.3 . 1 . . . . . 49 ILE C . 50353 1 524 . 1 . 1 49 49 ILE CA C 13 62.5 0.3 . 1 . . . . . 49 ILE CA . 50353 1 525 . 1 . 1 49 49 ILE CB C 13 35.786 0.3 . 1 . . . . . 49 ILE CB . 50353 1 526 . 1 . 1 49 49 ILE CG1 C 13 27.608 0.3 . 1 . . . . . 49 ILE CG1 . 50353 1 527 . 1 . 1 49 49 ILE CG2 C 13 17.077 0.3 . 1 . . . . . 49 ILE CG2 . 50353 1 528 . 1 . 1 49 49 ILE CD1 C 13 9.985 0.3 . 1 . . . . . 49 ILE CD1 . 50353 1 529 . 1 . 1 49 49 ILE N N 15 122.733 0.3 . 1 . . . . . 49 ILE N . 50353 1 530 . 1 . 1 50 50 MET H H 1 8.629 0.03 . 1 . . . . . 50 MET H . 50353 1 531 . 1 . 1 50 50 MET HA H 1 4.336 0.03 . 1 . . . . . 50 MET HA . 50353 1 532 . 1 . 1 50 50 MET HB2 H 1 2.312 0.03 . 2 . . . . . 50 MET HB2 . 50353 1 533 . 1 . 1 50 50 MET HB3 H 1 2.075 0.03 . 2 . . . . . 50 MET HB3 . 50353 1 534 . 1 . 1 50 50 MET HG2 H 1 2.879 0.03 . 2 . . . . . 50 MET HG2 . 50353 1 535 . 1 . 1 50 50 MET HG3 H 1 2.763 0.03 . 2 . . . . . 50 MET HG3 . 50353 1 536 . 1 . 1 50 50 MET HE1 H 1 2.185 0.03 . 1 . . . . . 50 MET HE1 . 50353 1 537 . 1 . 1 50 50 MET HE2 H 1 2.185 0.03 . 1 . . . . . 50 MET HE2 . 50353 1 538 . 1 . 1 50 50 MET HE3 H 1 2.185 0.03 . 1 . . . . . 50 MET HE3 . 50353 1 539 . 1 . 1 50 50 MET C C 13 180.052 0.3 . 1 . . . . . 50 MET C . 50353 1 540 . 1 . 1 50 50 MET CA C 13 58.267 0.3 . 1 . . . . . 50 MET CA . 50353 1 541 . 1 . 1 50 50 MET CB C 13 31.189 0.3 . 1 . . . . . 50 MET CB . 50353 1 542 . 1 . 1 50 50 MET CG C 13 32.857 0.3 . 1 . . . . . 50 MET CG . 50353 1 543 . 1 . 1 50 50 MET CE C 13 17.477 0.3 . 1 . . . . . 50 MET CE . 50353 1 544 . 1 . 1 50 50 MET N N 15 119.159 0.3 . 1 . . . . . 50 MET N . 50353 1 545 . 1 . 1 51 51 SER H H 1 8.242 0.03 . 1 . . . . . 51 SER H . 50353 1 546 . 1 . 1 51 51 SER HA H 1 4.32 0.03 . 1 . . . . . 51 SER HA . 50353 1 547 . 1 . 1 51 51 SER HB2 H 1 4.024 0.03 . 2 . . . . . 51 SER HB2 . 50353 1 548 . 1 . 1 51 51 SER HB3 H 1 3.958 0.03 . 2 . . . . . 51 SER HB3 . 50353 1 549 . 1 . 1 51 51 SER C C 13 177.029 0.3 . 1 . . . . . 51 SER C . 50353 1 550 . 1 . 1 51 51 SER CA C 13 61.504 0.3 . 1 . . . . . 51 SER CA . 50353 1 551 . 1 . 1 51 51 SER CB C 13 62.777 0.3 . 1 . . . . . 51 SER CB . 50353 1 552 . 1 . 1 51 51 SER N N 15 115.166 0.3 . 1 . . . . . 51 SER N . 50353 1 553 . 1 . 1 52 52 ALA H H 1 7.801 0.03 . 1 . . . . . 52 ALA H . 50353 1 554 . 1 . 1 52 52 ALA HA H 1 4.173 0.03 . 1 . . . . . 52 ALA HA . 50353 1 555 . 1 . 1 52 52 ALA HB1 H 1 1.383 0.03 . 1 . . . . . 52 ALA HB1 . 50353 1 556 . 1 . 1 52 52 ALA HB2 H 1 1.383 0.03 . 1 . . . . . 52 ALA HB2 . 50353 1 557 . 1 . 1 52 52 ALA HB3 H 1 1.383 0.03 . 1 . . . . . 52 ALA HB3 . 50353 1 558 . 1 . 1 52 52 ALA C C 13 180.075 0.3 . 1 . . . . . 52 ALA C . 50353 1 559 . 1 . 1 52 52 ALA CA C 13 55.116 0.3 . 1 . . . . . 52 ALA CA . 50353 1 560 . 1 . 1 52 52 ALA CB C 13 17.684 0.3 . 1 . . . . . 52 ALA CB . 50353 1 561 . 1 . 1 52 52 ALA N N 15 125.06 0.3 . 1 . . . . . 52 ALA N . 50353 1 562 . 1 . 1 53 53 MET H H 1 8.702 0.03 . 1 . . . . . 53 MET H . 50353 1 563 . 1 . 1 53 53 MET HA H 1 3.858 0.03 . 1 . . . . . 53 MET HA . 50353 1 564 . 1 . 1 53 53 MET HB2 H 1 2.178 0.03 . 2 . . . . . 53 MET HB2 . 50353 1 565 . 1 . 1 53 53 MET HB3 H 1 2.263 0.03 . 2 . . . . . 53 MET HB3 . 50353 1 566 . 1 . 1 53 53 MET HG2 H 1 2.407 0.03 . 2 . . . . . 53 MET HG2 . 50353 1 567 . 1 . 1 53 53 MET HG3 H 1 2.719 0.03 . 2 . . . . . 53 MET HG3 . 50353 1 568 . 1 . 1 53 53 MET HE1 H 1 1.916 0.03 . 1 . . . . . 53 MET HE1 . 50353 1 569 . 1 . 1 53 53 MET HE2 H 1 1.916 0.03 . 1 . . . . . 53 MET HE2 . 50353 1 570 . 1 . 1 53 53 MET HE3 H 1 1.916 0.03 . 1 . . . . . 53 MET HE3 . 50353 1 571 . 1 . 1 53 53 MET C C 13 178.858 0.3 . 1 . . . . . 53 MET C . 50353 1 572 . 1 . 1 53 53 MET CA C 13 59.64 0.3 . 1 . . . . . 53 MET CA . 50353 1 573 . 1 . 1 53 53 MET CB C 13 32.942 0.3 . 1 . . . . . 53 MET CB . 50353 1 574 . 1 . 1 53 53 MET CG C 13 33.693 0.3 . 1 . . . . . 53 MET CG . 50353 1 575 . 1 . 1 53 53 MET CE C 13 16.709 0.3 . 1 . . . . . 53 MET CE . 50353 1 576 . 1 . 1 53 53 MET N N 15 118.317 0.3 . 1 . . . . . 53 MET N . 50353 1 577 . 1 . 1 54 54 ASP H H 1 7.855 0.03 . 1 . . . . . 54 ASP H . 50353 1 578 . 1 . 1 54 54 ASP HA H 1 4.446 0.03 . 1 . . . . . 54 ASP HA . 50353 1 579 . 1 . 1 54 54 ASP HB2 H 1 2.861 0.03 . 2 . . . . . 54 ASP HB2 . 50353 1 580 . 1 . 1 54 54 ASP HB3 H 1 2.787 0.03 . 2 . . . . . 54 ASP HB3 . 50353 1 581 . 1 . 1 54 54 ASP C C 13 178.148 0.3 . 1 . . . . . 54 ASP C . 50353 1 582 . 1 . 1 54 54 ASP CA C 13 57.538 0.3 . 1 . . . . . 54 ASP CA . 50353 1 583 . 1 . 1 54 54 ASP CB C 13 41.539 0.3 . 1 . . . . . 54 ASP CB . 50353 1 584 . 1 . 1 54 54 ASP CG C 13 177.059 0.3 . 1 . . . . . 54 ASP CG . 50353 1 585 . 1 . 1 54 54 ASP N N 15 120.237 0.3 . 1 . . . . . 54 ASP N . 50353 1 586 . 1 . 1 55 55 LYS H H 1 7.899 0.03 . 1 . . . . . 55 LYS H . 50353 1 587 . 1 . 1 55 55 LYS HA H 1 4.0 0.03 . 1 . . . . . 55 LYS HA . 50353 1 588 . 1 . 1 55 55 LYS HB2 H 1 1.941 0.03 . 1 . . . . . 55 LYS HB2 . 50353 1 589 . 1 . 1 55 55 LYS HB3 H 1 1.941 0.03 . 1 . . . . . 55 LYS HB3 . 50353 1 590 . 1 . 1 55 55 LYS HG2 H 1 1.583 0.03 . 2 . . . . . 55 LYS HG2 . 50353 1 591 . 1 . 1 55 55 LYS HG3 H 1 1.438 0.03 . 2 . . . . . 55 LYS HG3 . 50353 1 592 . 1 . 1 55 55 LYS HD2 H 1 1.66 0.03 . 1 . . . . . 55 LYS HD2 . 50353 1 593 . 1 . 1 55 55 LYS HD3 H 1 1.66 0.03 . 1 . . . . . 55 LYS HD3 . 50353 1 594 . 1 . 1 55 55 LYS HE2 H 1 2.956 0.03 . 1 . . . . . 55 LYS HE2 . 50353 1 595 . 1 . 1 55 55 LYS HE3 H 1 2.956 0.03 . 1 . . . . . 55 LYS HE3 . 50353 1 596 . 1 . 1 55 55 LYS C C 13 180.153 0.3 . 1 . . . . . 55 LYS C . 50353 1 597 . 1 . 1 55 55 LYS CA C 13 59.605 0.3 . 1 . . . . . 55 LYS CA . 50353 1 598 . 1 . 1 55 55 LYS CB C 13 32.424 0.3 . 1 . . . . . 55 LYS CB . 50353 1 599 . 1 . 1 55 55 LYS CG C 13 25.324 0.3 . 1 . . . . . 55 LYS CG . 50353 1 600 . 1 . 1 55 55 LYS CD C 13 29.221 0.3 . 1 . . . . . 55 LYS CD . 50353 1 601 . 1 . 1 55 55 LYS CE C 13 42.158 0.3 . 1 . . . . . 55 LYS CE . 50353 1 602 . 1 . 1 55 55 LYS N N 15 118.71 0.3 . 1 . . . . . 55 LYS N . 50353 1 603 . 1 . 1 56 56 MET H H 1 8.398 0.03 . 1 . . . . . 56 MET H . 50353 1 604 . 1 . 1 56 56 MET HA H 1 4.262 0.03 . 1 . . . . . 56 MET HA . 50353 1 605 . 1 . 1 56 56 MET HB2 H 1 2.636 0.03 . 2 . . . . . 56 MET HB2 . 50353 1 606 . 1 . 1 56 56 MET HB3 H 1 2.832 0.03 . 2 . . . . . 56 MET HB3 . 50353 1 607 . 1 . 1 56 56 MET HG2 H 1 2.244 0.03 . 2 . . . . . 56 MET HG2 . 50353 1 608 . 1 . 1 56 56 MET HG3 H 1 1.861 0.03 . 2 . . . . . 56 MET HG3 . 50353 1 609 . 1 . 1 56 56 MET HE1 H 1 2.011 0.03 . 1 . . . . . 56 MET HE1 . 50353 1 610 . 1 . 1 56 56 MET HE2 H 1 2.011 0.03 . 1 . . . . . 56 MET HE2 . 50353 1 611 . 1 . 1 56 56 MET HE3 H 1 2.011 0.03 . 1 . . . . . 56 MET HE3 . 50353 1 612 . 1 . 1 56 56 MET C C 13 178.368 0.3 . 1 . . . . . 56 MET C . 50353 1 613 . 1 . 1 56 56 MET CA C 13 57.918 0.3 . 1 . . . . . 56 MET CA . 50353 1 614 . 1 . 1 56 56 MET CB C 13 33.089 0.3 . 1 . . . . . 56 MET CB . 50353 1 615 . 1 . 1 56 56 MET CG C 13 33.064 0.3 . 1 . . . . . 56 MET CG . 50353 1 616 . 1 . 1 56 56 MET CE C 13 17.917 0.3 . 1 . . . . . 56 MET CE . 50353 1 617 . 1 . 1 56 56 MET N N 15 117.384 0.3 . 1 . . . . . 56 MET N . 50353 1 618 . 1 . 1 57 57 ALA H H 1 8.015 0.03 . 1 . . . . . 57 ALA H . 50353 1 619 . 1 . 1 57 57 ALA HA H 1 4.305 0.03 . 1 . . . . . 57 ALA HA . 50353 1 620 . 1 . 1 57 57 ALA HB1 H 1 1.608 0.03 . 1 . . . . . 57 ALA HB1 . 50353 1 621 . 1 . 1 57 57 ALA HB2 H 1 1.608 0.03 . 1 . . . . . 57 ALA HB2 . 50353 1 622 . 1 . 1 57 57 ALA HB3 H 1 1.608 0.03 . 1 . . . . . 57 ALA HB3 . 50353 1 623 . 1 . 1 57 57 ALA C C 13 179.817 0.3 . 1 . . . . . 57 ALA C . 50353 1 624 . 1 . 1 57 57 ALA CA C 13 54.83 0.3 . 1 . . . . . 57 ALA CA . 50353 1 625 . 1 . 1 57 57 ALA CB C 13 18.269 0.3 . 1 . . . . . 57 ALA CB . 50353 1 626 . 1 . 1 57 57 ALA N N 15 123.236 0.3 . 1 . . . . . 57 ALA N . 50353 1 627 . 1 . 1 58 58 ARG H H 1 7.668 0.03 . 1 . . . . . 58 ARG H . 50353 1 628 . 1 . 1 58 58 ARG HA H 1 4.364 0.03 . 1 . . . . . 58 ARG HA . 50353 1 629 . 1 . 1 58 58 ARG HB2 H 1 2.045 0.03 . 2 . . . . . 58 ARG HB2 . 50353 1 630 . 1 . 1 58 58 ARG HB3 H 1 1.796 0.03 . 2 . . . . . 58 ARG HB3 . 50353 1 631 . 1 . 1 58 58 ARG HG2 H 1 1.767 0.03 . 2 . . . . . 58 ARG HG2 . 50353 1 632 . 1 . 1 58 58 ARG HG3 H 1 1.684 0.03 . 2 . . . . . 58 ARG HG3 . 50353 1 633 . 1 . 1 58 58 ARG HD2 H 1 3.152 0.03 . 2 . . . . . 58 ARG HD2 . 50353 1 634 . 1 . 1 58 58 ARG HD3 H 1 3.251 0.03 . 2 . . . . . 58 ARG HD3 . 50353 1 635 . 1 . 1 58 58 ARG C C 13 176.49 0.3 . 1 . . . . . 58 ARG C . 50353 1 636 . 1 . 1 58 58 ARG CB C 13 30.253 0.3 . 1 . . . . . 58 ARG CB . 50353 1 637 . 1 . 1 58 58 ARG CG C 13 27.672 0.3 . 1 . . . . . 58 ARG CG . 50353 1 638 . 1 . 1 58 58 ARG CD C 13 43.448 0.3 . 1 . . . . . 58 ARG CD . 50353 1 639 . 1 . 1 58 58 ARG N N 15 116.054 0.3 . 1 . . . . . 58 ARG N . 50353 1 640 . 1 . 1 59 59 SER H H 1 7.522 0.03 . 1 . . . . . 59 SER H . 50353 1 641 . 1 . 1 59 59 SER HA H 1 4.59 0.03 . 1 . . . . . 59 SER HA . 50353 1 642 . 1 . 1 59 59 SER HB2 H 1 4.035 0.03 . 2 . . . . . 59 SER HB2 . 50353 1 643 . 1 . 1 59 59 SER HB3 H 1 3.958 0.03 . 2 . . . . . 59 SER HB3 . 50353 1 644 . 1 . 1 59 59 SER C C 13 174.054 0.3 . 1 . . . . . 59 SER C . 50353 1 645 . 1 . 1 59 59 SER CA C 13 57.956 0.3 . 1 . . . . . 59 SER CA . 50353 1 646 . 1 . 1 59 59 SER CB C 13 64.661 0.3 . 1 . . . . . 59 SER CB . 50353 1 647 . 1 . 1 59 59 SER N N 15 113.839 0.3 . 1 . . . . . 59 SER N . 50353 1 648 . 1 . 1 60 60 ASN HA H 1 4.742 0.03 . 1 . . . . . 60 ASN HA . 50353 1 649 . 1 . 1 60 60 ASN HB2 H 1 2.906 0.03 . 2 . . . . . 60 ASN HB2 . 50353 1 650 . 1 . 1 60 60 ASN HB3 H 1 2.821 0.03 . 2 . . . . . 60 ASN HB3 . 50353 1 651 . 1 . 1 60 60 ASN HD21 H 1 7.577 0.03 . 2 . . . . . 60 ASN HD21 . 50353 1 652 . 1 . 1 60 60 ASN HD22 H 1 6.942 0.03 . 2 . . . . . 60 ASN HD22 . 50353 1 653 . 1 . 1 60 60 ASN C C 13 175.433 0.3 . 1 . . . . . 60 ASN C . 50353 1 654 . 1 . 1 60 60 ASN CA C 13 53.316 0.3 . 1 . . . . . 60 ASN CA . 50353 1 655 . 1 . 1 60 60 ASN CB C 13 37.768 0.3 . 1 . . . . . 60 ASN CB . 50353 1 656 . 1 . 1 60 60 ASN CG C 13 176.344 0.3 . 1 . . . . . 60 ASN CG . 50353 1 657 . 1 . 1 60 60 ASN ND2 N 15 112.511 0.3 . 1 . . . . . 60 ASN ND2 . 50353 1 658 . 1 . 1 61 61 LYS H H 1 7.799 0.03 . 1 . . . . . 61 LYS H . 50353 1 659 . 1 . 1 61 61 LYS HA H 1 4.299 0.03 . 1 . . . . . 61 LYS HA . 50353 1 660 . 1 . 1 61 61 LYS HB2 H 1 1.753 0.03 . 2 . . . . . 61 LYS HB2 . 50353 1 661 . 1 . 1 61 61 LYS HB3 H 1 1.638 0.03 . 2 . . . . . 61 LYS HB3 . 50353 1 662 . 1 . 1 61 61 LYS HG2 H 1 1.353 0.03 . 2 . . . . . 61 LYS HG2 . 50353 1 663 . 1 . 1 61 61 LYS HG3 H 1 1.474 0.03 . 2 . . . . . 61 LYS HG3 . 50353 1 664 . 1 . 1 61 61 LYS HD3 H 1 1.272 0.03 . 2 . . . . . 61 LYS HD3 . 50353 1 665 . 1 . 1 61 61 LYS HE2 H 1 2.852 0.03 . 2 . . . . . 61 LYS HE2 . 50353 1 666 . 1 . 1 61 61 LYS HE3 H 1 2.805 0.03 . 2 . . . . . 61 LYS HE3 . 50353 1 667 . 1 . 1 61 61 LYS C C 13 176.554 0.3 . 1 . . . . . 61 LYS C . 50353 1 668 . 1 . 1 61 61 LYS CA C 13 55.413 0.3 . 1 . . . . . 61 LYS CA . 50353 1 669 . 1 . 1 61 61 LYS CB C 13 33.765 0.3 . 1 . . . . . 61 LYS CB . 50353 1 670 . 1 . 1 61 61 LYS CG C 13 25.169 0.3 . 1 . . . . . 61 LYS CG . 50353 1 671 . 1 . 1 61 61 LYS CD C 13 28.301 0.3 . 1 . . . . . 61 LYS CD . 50353 1 672 . 1 . 1 61 61 LYS CE C 13 42.13 0.3 . 1 . . . . . 61 LYS CE . 50353 1 673 . 1 . 1 61 61 LYS N N 15 118.609 0.3 . 1 . . . . . 61 LYS N . 50353 1 674 . 1 . 1 62 62 SER H H 1 8.774 0.03 . 1 . . . . . 62 SER H . 50353 1 675 . 1 . 1 62 62 SER HA H 1 4.434 0.03 . 1 . . . . . 62 SER HA . 50353 1 676 . 1 . 1 62 62 SER HB2 H 1 4.08 0.03 . 1 . . . . . 62 SER HB2 . 50353 1 677 . 1 . 1 62 62 SER HB3 H 1 4.08 0.03 . 1 . . . . . 62 SER HB3 . 50353 1 678 . 1 . 1 62 62 SER C C 13 175.047 0.3 . 1 . . . . . 62 SER C . 50353 1 679 . 1 . 1 62 62 SER CA C 13 57.956 0.3 . 1 . . . . . 62 SER CA . 50353 1 680 . 1 . 1 62 62 SER CB C 13 64.709 0.3 . 1 . . . . . 62 SER CB . 50353 1 681 . 1 . 1 62 62 SER N N 15 117.452 0.3 . 1 . . . . . 62 SER N . 50353 1 682 . 1 . 1 63 63 SER H H 1 8.94 0.03 . 1 . . . . . 63 SER H . 50353 1 683 . 1 . 1 63 63 SER HB2 H 1 3.893 0.03 . 1 . . . . . 63 SER HB2 . 50353 1 684 . 1 . 1 63 63 SER HB3 H 1 3.893 0.03 . 1 . . . . . 63 SER HB3 . 50353 1 685 . 1 . 1 63 63 SER C C 13 175.145 0.3 . 1 . . . . . 63 SER C . 50353 1 686 . 1 . 1 63 63 SER CA C 13 58.237 0.3 . 1 . . . . . 63 SER CA . 50353 1 687 . 1 . 1 63 63 SER CB C 13 64.87 0.3 . 1 . . . . . 63 SER CB . 50353 1 688 . 1 . 1 63 63 SER N N 15 121.827 0.3 . 1 . . . . . 63 SER N . 50353 1 689 . 1 . 1 64 64 GLN HA H 1 4.069 0.03 . 1 . . . . . 64 GLN HA . 50353 1 690 . 1 . 1 64 64 GLN HB2 H 1 2.06 0.03 . 2 . . . . . 64 GLN HB2 . 50353 1 691 . 1 . 1 64 64 GLN HB3 H 1 1.966 0.03 . 2 . . . . . 64 GLN HB3 . 50353 1 692 . 1 . 1 64 64 GLN HG2 H 1 2.414 0.03 . 2 . . . . . 64 GLN HG2 . 50353 1 693 . 1 . 1 64 64 GLN HG3 H 1 2.51 0.03 . 2 . . . . . 64 GLN HG3 . 50353 1 694 . 1 . 1 64 64 GLN HE21 H 1 6.84 0.03 . 2 . . . . . 64 GLN HE21 . 50353 1 695 . 1 . 1 64 64 GLN HE22 H 1 7.395 0.03 . 2 . . . . . 64 GLN HE22 . 50353 1 696 . 1 . 1 64 64 GLN C C 13 178.116 0.3 . 1 . . . . . 64 GLN C . 50353 1 697 . 1 . 1 64 64 GLN CA C 13 59.177 0.3 . 1 . . . . . 64 GLN CA . 50353 1 698 . 1 . 1 64 64 GLN CB C 13 28.114 0.3 . 1 . . . . . 64 GLN CB . 50353 1 699 . 1 . 1 64 64 GLN CG C 13 33.844 0.3 . 1 . . . . . 64 GLN CG . 50353 1 700 . 1 . 1 64 64 GLN CD C 13 180.255 0.3 . 1 . . . . . 64 GLN CD . 50353 1 701 . 1 . 1 64 64 GLN NE2 N 15 111.183 0.3 . 1 . . . . . 64 GLN NE2 . 50353 1 702 . 1 . 1 65 65 HIS H H 1 7.905 0.03 . 1 . . . . . 65 HIS H . 50353 1 703 . 1 . 1 65 65 HIS HA H 1 4.255 0.03 . 1 . . . . . 65 HIS HA . 50353 1 704 . 1 . 1 65 65 HIS HB2 H 1 3.186 0.03 . 2 . . . . . 65 HIS HB2 . 50353 1 705 . 1 . 1 65 65 HIS HB3 H 1 3.252 0.03 . 2 . . . . . 65 HIS HB3 . 50353 1 706 . 1 . 1 65 65 HIS HD2 H 1 7.002 0.03 . 1 . . . . . 65 HIS HD2 . 50353 1 707 . 1 . 1 65 65 HIS HE1 H 1 7.838 0.03 . 1 . . . . . 65 HIS HE1 . 50353 1 708 . 1 . 1 65 65 HIS C C 13 178.354 0.3 . 1 . . . . . 65 HIS C . 50353 1 709 . 1 . 1 65 65 HIS CA C 13 59.46 0.3 . 1 . . . . . 65 HIS CA . 50353 1 710 . 1 . 1 65 65 HIS CB C 13 30.941 0.3 . 1 . . . . . 65 HIS CB . 50353 1 711 . 1 . 1 65 65 HIS CD2 C 13 119.921 0.3 . 1 . . . . . 65 HIS CD2 . 50353 1 712 . 1 . 1 65 65 HIS CE1 C 13 138.549 0.3 . 1 . . . . . 65 HIS CE1 . 50353 1 713 . 1 . 1 65 65 HIS N N 15 120.076 0.3 . 1 . . . . . 65 HIS N . 50353 1 714 . 1 . 1 66 66 LYS H H 1 8.324 0.03 . 1 . . . . . 66 LYS H . 50353 1 715 . 1 . 1 66 66 LYS HA H 1 3.991 0.03 . 1 . . . . . 66 LYS HA . 50353 1 716 . 1 . 1 66 66 LYS HB2 H 1 1.837 0.03 . 1 . . . . . 66 LYS HB2 . 50353 1 717 . 1 . 1 66 66 LYS HB3 H 1 1.837 0.03 . 1 . . . . . 66 LYS HB3 . 50353 1 718 . 1 . 1 66 66 LYS HG2 H 1 1.643 0.03 . 2 . . . . . 66 LYS HG2 . 50353 1 719 . 1 . 1 66 66 LYS HG3 H 1 1.351 0.03 . 2 . . . . . 66 LYS HG3 . 50353 1 720 . 1 . 1 66 66 LYS HD2 H 1 1.974 0.03 . 1 . . . . . 66 LYS HD2 . 50353 1 721 . 1 . 1 66 66 LYS HD3 H 1 1.974 0.03 . 1 . . . . . 66 LYS HD3 . 50353 1 722 . 1 . 1 66 66 LYS HE2 H 1 2.861 0.03 . 2 . . . . . 66 LYS HE2 . 50353 1 723 . 1 . 1 66 66 LYS HE3 H 1 2.795 0.03 . 2 . . . . . 66 LYS HE3 . 50353 1 724 . 1 . 1 66 66 LYS C C 13 177.729 0.3 . 1 . . . . . 66 LYS C . 50353 1 725 . 1 . 1 66 66 LYS CA C 13 60.026 0.3 . 1 . . . . . 66 LYS CA . 50353 1 726 . 1 . 1 66 66 LYS CB C 13 32.796 0.3 . 1 . . . . . 66 LYS CB . 50353 1 727 . 1 . 1 66 66 LYS CG C 13 25.793 0.3 . 1 . . . . . 66 LYS CG . 50353 1 728 . 1 . 1 66 66 LYS CD C 13 27.202 0.3 . 1 . . . . . 66 LYS CD . 50353 1 729 . 1 . 1 66 66 LYS CE C 13 41.964 0.3 . 1 . . . . . 66 LYS CE . 50353 1 730 . 1 . 1 66 66 LYS N N 15 120.178 0.3 . 1 . . . . . 66 LYS N . 50353 1 731 . 1 . 1 67 67 LEU H H 1 8.097 0.03 . 1 . . . . . 67 LEU H . 50353 1 732 . 1 . 1 67 67 LEU HA H 1 4.028 0.03 . 1 . . . . . 67 LEU HA . 50353 1 733 . 1 . 1 67 67 LEU HB2 H 1 1.882 0.03 . 2 . . . . . 67 LEU HB2 . 50353 1 734 . 1 . 1 67 67 LEU HB3 H 1 1.77 0.03 . 2 . . . . . 67 LEU HB3 . 50353 1 735 . 1 . 1 67 67 LEU HG H 1 1.63 0.03 . 1 . . . . . 67 LEU HG . 50353 1 736 . 1 . 1 67 67 LEU HD11 H 1 0.964 0.03 . 2 . . . . . 67 LEU HD11 . 50353 1 737 . 1 . 1 67 67 LEU HD12 H 1 0.964 0.03 . 2 . . . . . 67 LEU HD12 . 50353 1 738 . 1 . 1 67 67 LEU HD13 H 1 0.964 0.03 . 2 . . . . . 67 LEU HD13 . 50353 1 739 . 1 . 1 67 67 LEU HD21 H 1 0.987 0.03 . 2 . . . . . 67 LEU HD21 . 50353 1 740 . 1 . 1 67 67 LEU HD22 H 1 0.987 0.03 . 2 . . . . . 67 LEU HD22 . 50353 1 741 . 1 . 1 67 67 LEU HD23 H 1 0.987 0.03 . 2 . . . . . 67 LEU HD23 . 50353 1 742 . 1 . 1 67 67 LEU C C 13 178.88 0.3 . 1 . . . . . 67 LEU C . 50353 1 743 . 1 . 1 67 67 LEU CA C 13 58.601 0.3 . 1 . . . . . 67 LEU CA . 50353 1 744 . 1 . 1 67 67 LEU CB C 13 41.145 0.3 . 1 . . . . . 67 LEU CB . 50353 1 745 . 1 . 1 67 67 LEU CG C 13 26.961 0.3 . 1 . . . . . 67 LEU CG . 50353 1 746 . 1 . 1 67 67 LEU CD1 C 13 23.708 0.3 . 2 . . . . . 67 LEU CD1 . 50353 1 747 . 1 . 1 67 67 LEU CD2 C 13 25.046 0.3 . 2 . . . . . 67 LEU CD2 . 50353 1 748 . 1 . 1 67 67 LEU N N 15 117.7 0.3 . 1 . . . . . 67 LEU N . 50353 1 749 . 1 . 1 68 68 GLN H H 1 7.784 0.03 . 1 . . . . . 68 GLN H . 50353 1 750 . 1 . 1 68 68 GLN HA H 1 4.033 0.03 . 1 . . . . . 68 GLN HA . 50353 1 751 . 1 . 1 68 68 GLN HB2 H 1 2.144 0.03 . 2 . . . . . 68 GLN HB2 . 50353 1 752 . 1 . 1 68 68 GLN HB3 H 1 2.082 0.03 . 2 . . . . . 68 GLN HB3 . 50353 1 753 . 1 . 1 68 68 GLN HG2 H 1 2.412 0.03 . 2 . . . . . 68 GLN HG2 . 50353 1 754 . 1 . 1 68 68 GLN HG3 H 1 2.52 0.03 . 2 . . . . . 68 GLN HG3 . 50353 1 755 . 1 . 1 68 68 GLN HE21 H 1 7.555 0.03 . 2 . . . . . 68 GLN HE21 . 50353 1 756 . 1 . 1 68 68 GLN HE22 H 1 6.939 0.03 . 2 . . . . . 68 GLN HE22 . 50353 1 757 . 1 . 1 68 68 GLN C C 13 178.579 0.3 . 1 . . . . . 68 GLN C . 50353 1 758 . 1 . 1 68 68 GLN CA C 13 58.966 0.3 . 1 . . . . . 68 GLN CA . 50353 1 759 . 1 . 1 68 68 GLN CB C 13 28.156 0.3 . 1 . . . . . 68 GLN CB . 50353 1 760 . 1 . 1 68 68 GLN CG C 13 33.845 0.3 . 1 . . . . . 68 GLN CG . 50353 1 761 . 1 . 1 68 68 GLN CD C 13 180.255 0.3 . 1 . . . . . 68 GLN CD . 50353 1 762 . 1 . 1 68 68 GLN N N 15 116.98 0.3 . 1 . . . . . 68 GLN N . 50353 1 763 . 1 . 1 68 68 GLN NE2 N 15 112.448 0.3 . 1 . . . . . 68 GLN NE2 . 50353 1 764 . 1 . 1 69 69 ALA H H 1 8.012 0.03 . 1 . . . . . 69 ALA H . 50353 1 765 . 1 . 1 69 69 ALA HA H 1 4.046 0.03 . 1 . . . . . 69 ALA HA . 50353 1 766 . 1 . 1 69 69 ALA HB1 H 1 1.376 0.03 . 1 . . . . . 69 ALA HB1 . 50353 1 767 . 1 . 1 69 69 ALA HB2 H 1 1.376 0.03 . 1 . . . . . 69 ALA HB2 . 50353 1 768 . 1 . 1 69 69 ALA HB3 H 1 1.376 0.03 . 1 . . . . . 69 ALA HB3 . 50353 1 769 . 1 . 1 69 69 ALA C C 13 181.374 0.3 . 1 . . . . . 69 ALA C . 50353 1 770 . 1 . 1 69 69 ALA CA C 13 55.008 0.3 . 1 . . . . . 69 ALA CA . 50353 1 771 . 1 . 1 69 69 ALA CB C 13 18.225 0.3 . 1 . . . . . 69 ALA CB . 50353 1 772 . 1 . 1 69 69 ALA N N 15 121.532 0.3 . 1 . . . . . 69 ALA N . 50353 1 773 . 1 . 1 70 70 LEU H H 1 8.107 0.03 . 1 . . . . . 70 LEU H . 50353 1 774 . 1 . 1 70 70 LEU HA H 1 3.745 0.03 . 1 . . . . . 70 LEU HA . 50353 1 775 . 1 . 1 70 70 LEU HB2 H 1 0.026 0.03 . 2 . . . . . 70 LEU HB2 . 50353 1 776 . 1 . 1 70 70 LEU HB3 H 1 1.438 0.03 . 2 . . . . . 70 LEU HB3 . 50353 1 777 . 1 . 1 70 70 LEU HG H 1 1.633 0.03 . 1 . . . . . 70 LEU HG . 50353 1 778 . 1 . 1 70 70 LEU HD11 H 1 0.637 0.03 . 2 . . . . . 70 LEU HD11 . 50353 1 779 . 1 . 1 70 70 LEU HD12 H 1 0.637 0.03 . 2 . . . . . 70 LEU HD12 . 50353 1 780 . 1 . 1 70 70 LEU HD13 H 1 0.637 0.03 . 2 . . . . . 70 LEU HD13 . 50353 1 781 . 1 . 1 70 70 LEU HD21 H 1 0.472 0.03 . 2 . . . . . 70 LEU HD21 . 50353 1 782 . 1 . 1 70 70 LEU HD22 H 1 0.472 0.03 . 2 . . . . . 70 LEU HD22 . 50353 1 783 . 1 . 1 70 70 LEU HD23 H 1 0.472 0.03 . 2 . . . . . 70 LEU HD23 . 50353 1 784 . 1 . 1 70 70 LEU C C 13 178.386 0.3 . 1 . . . . . 70 LEU C . 50353 1 785 . 1 . 1 70 70 LEU CA C 13 57.532 0.3 . 1 . . . . . 70 LEU CA . 50353 1 786 . 1 . 1 70 70 LEU CB C 13 39.854 0.3 . 1 . . . . . 70 LEU CB . 50353 1 787 . 1 . 1 70 70 LEU CG C 13 26.689 0.3 . 1 . . . . . 70 LEU CG . 50353 1 788 . 1 . 1 70 70 LEU CD1 C 13 26.733 0.3 . 2 . . . . . 70 LEU CD1 . 50353 1 789 . 1 . 1 70 70 LEU CD2 C 13 23.198 0.3 . 2 . . . . . 70 LEU CD2 . 50353 1 790 . 1 . 1 70 70 LEU N N 15 121.549 0.3 . 1 . . . . . 70 LEU N . 50353 1 791 . 1 . 1 71 71 ASN H H 1 8.493 0.03 . 1 . . . . . 71 ASN H . 50353 1 792 . 1 . 1 71 71 ASN HA H 1 4.528 0.03 . 1 . . . . . 71 ASN HA . 50353 1 793 . 1 . 1 71 71 ASN HB2 H 1 3.147 0.03 . 2 . . . . . 71 ASN HB2 . 50353 1 794 . 1 . 1 71 71 ASN HB3 H 1 2.563 0.03 . 2 . . . . . 71 ASN HB3 . 50353 1 795 . 1 . 1 71 71 ASN HD21 H 1 6.327 0.03 . 2 . . . . . 71 ASN HD21 . 50353 1 796 . 1 . 1 71 71 ASN HD22 H 1 7.643 0.03 . 2 . . . . . 71 ASN HD22 . 50353 1 797 . 1 . 1 71 71 ASN C C 13 178.047 0.3 . 1 . . . . . 71 ASN C . 50353 1 798 . 1 . 1 71 71 ASN CA C 13 56.208 0.3 . 1 . . . . . 71 ASN CA . 50353 1 799 . 1 . 1 71 71 ASN CB C 13 36.99 0.3 . 1 . . . . . 71 ASN CB . 50353 1 800 . 1 . 1 71 71 ASN CG C 13 175.041 0.3 . 1 . . . . . 71 ASN CG . 50353 1 801 . 1 . 1 71 71 ASN N N 15 118.942 0.3 . 1 . . . . . 71 ASN N . 50353 1 802 . 1 . 1 71 71 ASN ND2 N 15 107.224 0.3 . 1 . . . . . 71 ASN ND2 . 50353 1 803 . 1 . 1 72 72 MET H H 1 8.098 0.03 . 1 . . . . . 72 MET H . 50353 1 804 . 1 . 1 72 72 MET HA H 1 4.352 0.03 . 1 . . . . . 72 MET HA . 50353 1 805 . 1 . 1 72 72 MET HB2 H 1 2.182 0.03 . 1 . . . . . 72 MET HB2 . 50353 1 806 . 1 . 1 72 72 MET HB3 H 1 2.182 0.03 . 1 . . . . . 72 MET HB3 . 50353 1 807 . 1 . 1 72 72 MET HG2 H 1 2.664 0.03 . 2 . . . . . 72 MET HG2 . 50353 1 808 . 1 . 1 72 72 MET HG3 H 1 2.634 0.03 . 2 . . . . . 72 MET HG3 . 50353 1 809 . 1 . 1 72 72 MET HE1 H 1 2.03 0.03 . 1 . . . . . 72 MET HE1 . 50353 1 810 . 1 . 1 72 72 MET HE2 H 1 2.03 0.03 . 1 . . . . . 72 MET HE2 . 50353 1 811 . 1 . 1 72 72 MET HE3 H 1 2.03 0.03 . 1 . . . . . 72 MET HE3 . 50353 1 812 . 1 . 1 72 72 MET C C 13 178.711 0.3 . 1 . . . . . 72 MET C . 50353 1 813 . 1 . 1 72 72 MET CA C 13 57.396 0.3 . 1 . . . . . 72 MET CA . 50353 1 814 . 1 . 1 72 72 MET CB C 13 31.124 0.3 . 1 . . . . . 72 MET CB . 50353 1 815 . 1 . 1 72 72 MET CG C 13 32.433 0.3 . 1 . . . . . 72 MET CG . 50353 1 816 . 1 . 1 72 72 MET CE C 13 16.678 0.3 . 1 . . . . . 72 MET CE . 50353 1 817 . 1 . 1 72 72 MET N N 15 117.571 0.3 . 1 . . . . . 72 MET N . 50353 1 818 . 1 . 1 73 73 ALA H H 1 8.119 0.03 . 1 . . . . . 73 ALA H . 50353 1 819 . 1 . 1 73 73 ALA HA H 1 4.113 0.03 . 1 . . . . . 73 ALA HA . 50353 1 820 . 1 . 1 73 73 ALA HB1 H 1 1.33 0.03 . 1 . . . . . 73 ALA HB1 . 50353 1 821 . 1 . 1 73 73 ALA HB2 H 1 1.33 0.03 . 1 . . . . . 73 ALA HB2 . 50353 1 822 . 1 . 1 73 73 ALA HB3 H 1 1.33 0.03 . 1 . . . . . 73 ALA HB3 . 50353 1 823 . 1 . 1 73 73 ALA C C 13 180.073 0.3 . 1 . . . . . 73 ALA C . 50353 1 824 . 1 . 1 73 73 ALA CA C 13 55.135 0.3 . 1 . . . . . 73 ALA CA . 50353 1 825 . 1 . 1 73 73 ALA CB C 13 17.342 0.3 . 1 . . . . . 73 ALA CB . 50353 1 826 . 1 . 1 73 73 ALA N N 15 124.6 0.3 . 1 . . . . . 73 ALA N . 50353 1 827 . 1 . 1 74 74 PHE H H 1 8.398 0.03 . 1 . . . . . 74 PHE H . 50353 1 828 . 1 . 1 74 74 PHE HA H 1 4.01 0.03 . 1 . . . . . 74 PHE HA . 50353 1 829 . 1 . 1 74 74 PHE HB2 H 1 3.15 0.03 . 2 . . . . . 74 PHE HB2 . 50353 1 830 . 1 . 1 74 74 PHE HB3 H 1 3.423 0.03 . 2 . . . . . 74 PHE HB3 . 50353 1 831 . 1 . 1 74 74 PHE HD1 H 1 7.352 0.03 . 1 . . . . . 74 PHE HD1 . 50353 1 832 . 1 . 1 74 74 PHE HD2 H 1 7.352 0.03 . 1 . . . . . 74 PHE HD2 . 50353 1 833 . 1 . 1 74 74 PHE HE1 H 1 7.613 0.03 . 1 . . . . . 74 PHE HE1 . 50353 1 834 . 1 . 1 74 74 PHE HE2 H 1 7.613 0.03 . 1 . . . . . 74 PHE HE2 . 50353 1 835 . 1 . 1 74 74 PHE HZ H 1 6.943 0.03 . 1 . . . . . 74 PHE HZ . 50353 1 836 . 1 . 1 74 74 PHE C C 13 176.839 0.3 . 1 . . . . . 74 PHE C . 50353 1 837 . 1 . 1 74 74 PHE CA C 13 61.95 0.3 . 1 . . . . . 74 PHE CA . 50353 1 838 . 1 . 1 74 74 PHE CB C 13 39.844 0.3 . 1 . . . . . 74 PHE CB . 50353 1 839 . 1 . 1 74 74 PHE CD1 C 13 129.962 0.3 . 1 . . . . . 74 PHE CD1 . 50353 1 840 . 1 . 1 74 74 PHE CD2 C 13 129.962 0.3 . 1 . . . . . 74 PHE CD2 . 50353 1 841 . 1 . 1 74 74 PHE CE1 C 13 131.745 0.3 . 1 . . . . . 74 PHE CE1 . 50353 1 842 . 1 . 1 74 74 PHE CE2 C 13 131.745 0.3 . 1 . . . . . 74 PHE CE2 . 50353 1 843 . 1 . 1 74 74 PHE N N 15 119.206 0.3 . 1 . . . . . 74 PHE N . 50353 1 844 . 1 . 1 75 75 ALA H H 1 9.001 0.03 . 1 . . . . . 75 ALA H . 50353 1 845 . 1 . 1 75 75 ALA HA H 1 3.812 0.03 . 1 . . . . . 75 ALA HA . 50353 1 846 . 1 . 1 75 75 ALA HB1 H 1 1.563 0.03 . 1 . . . . . 75 ALA HB1 . 50353 1 847 . 1 . 1 75 75 ALA HB2 H 1 1.563 0.03 . 1 . . . . . 75 ALA HB2 . 50353 1 848 . 1 . 1 75 75 ALA HB3 H 1 1.563 0.03 . 1 . . . . . 75 ALA HB3 . 50353 1 849 . 1 . 1 75 75 ALA C C 13 179.393 0.3 . 1 . . . . . 75 ALA C . 50353 1 850 . 1 . 1 75 75 ALA CA C 13 55.704 0.3 . 1 . . . . . 75 ALA CA . 50353 1 851 . 1 . 1 75 75 ALA CB C 13 20.461 0.3 . 1 . . . . . 75 ALA CB . 50353 1 852 . 1 . 1 75 75 ALA N N 15 120.151 0.3 . 1 . . . . . 75 ALA N . 50353 1 853 . 1 . 1 76 76 SER H H 1 8.731 0.03 . 1 . . . . . 76 SER H . 50353 1 854 . 1 . 1 76 76 SER HA H 1 4.095 0.03 . 1 . . . . . 76 SER HA . 50353 1 855 . 1 . 1 76 76 SER HB2 H 1 3.936 0.03 . 2 . . . . . 76 SER HB2 . 50353 1 856 . 1 . 1 76 76 SER HB3 H 1 4.024 0.03 . 2 . . . . . 76 SER HB3 . 50353 1 857 . 1 . 1 76 76 SER C C 13 176.992 0.3 . 1 . . . . . 76 SER C . 50353 1 858 . 1 . 1 76 76 SER CA C 13 62.369 0.3 . 1 . . . . . 76 SER CA . 50353 1 859 . 1 . 1 76 76 SER CB C 13 62.771 0.3 . 1 . . . . . 76 SER CB . 50353 1 860 . 1 . 1 76 76 SER N N 15 112.298 0.3 . 1 . . . . . 76 SER N . 50353 1 861 . 1 . 1 77 77 SER H H 1 7.465 0.03 . 1 . . . . . 77 SER H . 50353 1 862 . 1 . 1 77 77 SER HA H 1 4.275 0.03 . 1 . . . . . 77 SER HA . 50353 1 863 . 1 . 1 77 77 SER HB2 H 1 3.857 0.03 . 2 . . . . . 77 SER HB2 . 50353 1 864 . 1 . 1 77 77 SER HB3 H 1 3.746 0.03 . 2 . . . . . 77 SER HB3 . 50353 1 865 . 1 . 1 77 77 SER C C 13 176.749 0.3 . 1 . . . . . 77 SER C . 50353 1 866 . 1 . 1 77 77 SER CA C 13 62.092 0.3 . 1 . . . . . 77 SER CA . 50353 1 867 . 1 . 1 77 77 SER CB C 13 63.165 0.3 . 1 . . . . . 77 SER CB . 50353 1 868 . 1 . 1 77 77 SER N N 15 117.361 0.3 . 1 . . . . . 77 SER N . 50353 1 869 . 1 . 1 78 78 MET H H 1 7.91 0.03 . 1 . . . . . 78 MET H . 50353 1 870 . 1 . 1 78 78 MET HA H 1 4.471 0.03 . 1 . . . . . 78 MET HA . 50353 1 871 . 1 . 1 78 78 MET HB2 H 1 1.693 0.03 . 2 . . . . . 78 MET HB2 . 50353 1 872 . 1 . 1 78 78 MET HB3 H 1 2.093 0.03 . 2 . . . . . 78 MET HB3 . 50353 1 873 . 1 . 1 78 78 MET HG2 H 1 1.958 0.03 . 2 . . . . . 78 MET HG2 . 50353 1 874 . 1 . 1 78 78 MET HG3 H 1 2.254 0.03 . 2 . . . . . 78 MET HG3 . 50353 1 875 . 1 . 1 78 78 MET HE1 H 1 1.673 0.03 . 1 . . . . . 78 MET HE1 . 50353 1 876 . 1 . 1 78 78 MET HE2 H 1 1.673 0.03 . 1 . . . . . 78 MET HE2 . 50353 1 877 . 1 . 1 78 78 MET HE3 H 1 1.673 0.03 . 1 . . . . . 78 MET HE3 . 50353 1 878 . 1 . 1 78 78 MET C C 13 178.399 0.3 . 1 . . . . . 78 MET C . 50353 1 879 . 1 . 1 78 78 MET CA C 13 56.241 0.3 . 1 . . . . . 78 MET CA . 50353 1 880 . 1 . 1 78 78 MET CB C 13 32.577 0.3 . 1 . . . . . 78 MET CB . 50353 1 881 . 1 . 1 78 78 MET CG C 13 32.915 0.3 . 1 . . . . . 78 MET CG . 50353 1 882 . 1 . 1 78 78 MET CE C 13 18.955 0.3 . 1 . . . . . 78 MET CE . 50353 1 883 . 1 . 1 78 78 MET N N 15 118.15 0.3 . 1 . . . . . 78 MET N . 50353 1 884 . 1 . 1 79 79 ALA H H 1 8.761 0.03 . 1 . . . . . 79 ALA H . 50353 1 885 . 1 . 1 79 79 ALA HA H 1 3.889 0.03 . 1 . . . . . 79 ALA HA . 50353 1 886 . 1 . 1 79 79 ALA HB1 H 1 1.52 0.03 . 1 . . . . . 79 ALA HB1 . 50353 1 887 . 1 . 1 79 79 ALA HB2 H 1 1.52 0.03 . 1 . . . . . 79 ALA HB2 . 50353 1 888 . 1 . 1 79 79 ALA HB3 H 1 1.52 0.03 . 1 . . . . . 79 ALA HB3 . 50353 1 889 . 1 . 1 79 79 ALA C C 13 179.487 0.3 . 1 . . . . . 79 ALA C . 50353 1 890 . 1 . 1 79 79 ALA CA C 13 55.47 0.3 . 1 . . . . . 79 ALA CA . 50353 1 891 . 1 . 1 79 79 ALA CB C 13 18.806 0.3 . 1 . . . . . 79 ALA CB . 50353 1 892 . 1 . 1 79 79 ALA N N 15 121.498 0.3 . 1 . . . . . 79 ALA N . 50353 1 893 . 1 . 1 80 80 GLU H H 1 7.533 0.03 . 1 . . . . . 80 GLU H . 50353 1 894 . 1 . 1 80 80 GLU HA H 1 4.017 0.03 . 1 . . . . . 80 GLU HA . 50353 1 895 . 1 . 1 80 80 GLU HB2 H 1 2.099 0.03 . 2 . . . . . 80 GLU HB2 . 50353 1 896 . 1 . 1 80 80 GLU HB3 H 1 2.171 0.03 . 2 . . . . . 80 GLU HB3 . 50353 1 897 . 1 . 1 80 80 GLU HG2 H 1 2.42 0.03 . 2 . . . . . 80 GLU HG2 . 50353 1 898 . 1 . 1 80 80 GLU HG3 H 1 2.252 0.03 . 2 . . . . . 80 GLU HG3 . 50353 1 899 . 1 . 1 80 80 GLU C C 13 178.778 0.3 . 1 . . . . . 80 GLU C . 50353 1 900 . 1 . 1 80 80 GLU CA C 13 59.119 0.3 . 1 . . . . . 80 GLU CA . 50353 1 901 . 1 . 1 80 80 GLU CB C 13 29.775 0.3 . 1 . . . . . 80 GLU CB . 50353 1 902 . 1 . 1 80 80 GLU CG C 13 36.295 0.3 . 1 . . . . . 80 GLU CG . 50353 1 903 . 1 . 1 80 80 GLU CD C 13 183.655 0.3 . 1 . . . . . 80 GLU CD . 50353 1 904 . 1 . 1 80 80 GLU N N 15 116.273 0.3 . 1 . . . . . 80 GLU N . 50353 1 905 . 1 . 1 81 81 ILE H H 1 7.416 0.03 . 1 . . . . . 81 ILE H . 50353 1 906 . 1 . 1 81 81 ILE HA H 1 3.99 0.03 . 1 . . . . . 81 ILE HA . 50353 1 907 . 1 . 1 81 81 ILE HB H 1 1.907 0.03 . 1 . . . . . 81 ILE HB . 50353 1 908 . 1 . 1 81 81 ILE HG12 H 1 1.32 0.03 . 2 . . . . . 81 ILE HG12 . 50353 1 909 . 1 . 1 81 81 ILE HG13 H 1 1.746 0.03 . 2 . . . . . 81 ILE HG13 . 50353 1 910 . 1 . 1 81 81 ILE HG21 H 1 0.987 0.03 . 1 . . . . . 81 ILE HG21 . 50353 1 911 . 1 . 1 81 81 ILE HG22 H 1 0.987 0.03 . 1 . . . . . 81 ILE HG22 . 50353 1 912 . 1 . 1 81 81 ILE HG23 H 1 0.987 0.03 . 1 . . . . . 81 ILE HG23 . 50353 1 913 . 1 . 1 81 81 ILE HD11 H 1 0.783 0.03 . 1 . . . . . 81 ILE HD11 . 50353 1 914 . 1 . 1 81 81 ILE HD12 H 1 0.783 0.03 . 1 . . . . . 81 ILE HD12 . 50353 1 915 . 1 . 1 81 81 ILE HD13 H 1 0.783 0.03 . 1 . . . . . 81 ILE HD13 . 50353 1 916 . 1 . 1 81 81 ILE C C 13 177.996 0.3 . 1 . . . . . 81 ILE C . 50353 1 917 . 1 . 1 81 81 ILE CA C 13 63.436 0.3 . 1 . . . . . 81 ILE CA . 50353 1 918 . 1 . 1 81 81 ILE CB C 13 38.589 0.3 . 1 . . . . . 81 ILE CB . 50353 1 919 . 1 . 1 81 81 ILE CG1 C 13 28.809 0.3 . 1 . . . . . 81 ILE CG1 . 50353 1 920 . 1 . 1 81 81 ILE CG2 C 13 18.092 0.3 . 1 . . . . . 81 ILE CG2 . 50353 1 921 . 1 . 1 81 81 ILE CD1 C 13 13.433 0.3 . 1 . . . . . 81 ILE CD1 . 50353 1 922 . 1 . 1 81 81 ILE N N 15 118.516 0.3 . 1 . . . . . 81 ILE N . 50353 1 923 . 1 . 1 82 82 ALA H H 1 8.463 0.03 . 1 . . . . . 82 ALA H . 50353 1 924 . 1 . 1 82 82 ALA HA H 1 4.068 0.03 . 1 . . . . . 82 ALA HA . 50353 1 925 . 1 . 1 82 82 ALA HB1 H 1 1.423 0.03 . 1 . . . . . 82 ALA HB1 . 50353 1 926 . 1 . 1 82 82 ALA HB2 H 1 1.423 0.03 . 1 . . . . . 82 ALA HB2 . 50353 1 927 . 1 . 1 82 82 ALA HB3 H 1 1.423 0.03 . 1 . . . . . 82 ALA HB3 . 50353 1 928 . 1 . 1 82 82 ALA C C 13 176.576 0.3 . 1 . . . . . 82 ALA C . 50353 1 929 . 1 . 1 82 82 ALA CA C 13 54.508 0.3 . 1 . . . . . 82 ALA CA . 50353 1 930 . 1 . 1 82 82 ALA CB C 13 18.199 0.3 . 1 . . . . . 82 ALA CB . 50353 1 931 . 1 . 1 82 82 ALA N N 15 120.612 0.3 . 1 . . . . . 82 ALA N . 50353 1 932 . 1 . 1 83 83 ALA H H 1 7.459 0.03 . 1 . . . . . 83 ALA H . 50353 1 933 . 1 . 1 83 83 ALA HA H 1 4.307 0.03 . 1 . . . . . 83 ALA HA . 50353 1 934 . 1 . 1 83 83 ALA HB1 H 1 1.499 0.03 . 1 . . . . . 83 ALA HB1 . 50353 1 935 . 1 . 1 83 83 ALA HB2 H 1 1.499 0.03 . 1 . . . . . 83 ALA HB2 . 50353 1 936 . 1 . 1 83 83 ALA HB3 H 1 1.499 0.03 . 1 . . . . . 83 ALA HB3 . 50353 1 937 . 1 . 1 83 83 ALA C C 13 177.992 0.3 . 1 . . . . . 83 ALA C . 50353 1 938 . 1 . 1 83 83 ALA CA C 13 52.953 0.3 . 1 . . . . . 83 ALA CA . 50353 1 939 . 1 . 1 83 83 ALA CB C 13 19.294 0.3 . 1 . . . . . 83 ALA CB . 50353 1 940 . 1 . 1 83 83 ALA N N 15 115.787 0.3 . 1 . . . . . 83 ALA N . 50353 1 941 . 1 . 1 84 84 VAL H H 1 7.35 0.03 . 1 . . . . . 84 VAL H . 50353 1 942 . 1 . 1 84 84 VAL HA H 1 3.946 0.03 . 1 . . . . . 84 VAL HA . 50353 1 943 . 1 . 1 84 84 VAL HB H 1 2.177 0.03 . 1 . . . . . 84 VAL HB . 50353 1 944 . 1 . 1 84 84 VAL HG11 H 1 1.037 0.03 . 2 . . . . . 84 VAL HG11 . 50353 1 945 . 1 . 1 84 84 VAL HG12 H 1 1.037 0.03 . 2 . . . . . 84 VAL HG12 . 50353 1 946 . 1 . 1 84 84 VAL HG13 H 1 1.037 0.03 . 2 . . . . . 84 VAL HG13 . 50353 1 947 . 1 . 1 84 84 VAL HG21 H 1 1.135 0.03 . 2 . . . . . 84 VAL HG21 . 50353 1 948 . 1 . 1 84 84 VAL HG22 H 1 1.135 0.03 . 2 . . . . . 84 VAL HG22 . 50353 1 949 . 1 . 1 84 84 VAL HG23 H 1 1.135 0.03 . 2 . . . . . 84 VAL HG23 . 50353 1 950 . 1 . 1 84 84 VAL C C 13 176.25 0.3 . 1 . . . . . 84 VAL C . 50353 1 951 . 1 . 1 84 84 VAL CA C 13 63.671 0.3 . 1 . . . . . 84 VAL CA . 50353 1 952 . 1 . 1 84 84 VAL CB C 13 32.213 0.3 . 1 . . . . . 84 VAL CB . 50353 1 953 . 1 . 1 84 84 VAL CG1 C 13 21.365 0.3 . 2 . . . . . 84 VAL CG1 . 50353 1 954 . 1 . 1 84 84 VAL CG2 C 13 21.451 0.3 . 2 . . . . . 84 VAL CG2 . 50353 1 955 . 1 . 1 84 84 VAL N N 15 118.265 0.3 . 1 . . . . . 84 VAL N . 50353 1 956 . 1 . 1 85 85 GLU H H 1 8.481 0.03 . 1 . . . . . 85 GLU H . 50353 1 957 . 1 . 1 85 85 GLU HA H 1 4.363 0.03 . 1 . . . . . 85 GLU HA . 50353 1 958 . 1 . 1 85 85 GLU HB2 H 1 2.068 0.03 . 1 . . . . . 85 GLU HB2 . 50353 1 959 . 1 . 1 85 85 GLU HB3 H 1 2.068 0.03 . 1 . . . . . 85 GLU HB3 . 50353 1 960 . 1 . 1 85 85 GLU HG2 H 1 2.239 0.03 . 2 . . . . . 85 GLU HG2 . 50353 1 961 . 1 . 1 85 85 GLU HG3 H 1 2.328 0.03 . 2 . . . . . 85 GLU HG3 . 50353 1 962 . 1 . 1 85 85 GLU C C 13 176.581 0.3 . 1 . . . . . 85 GLU C . 50353 1 963 . 1 . 1 85 85 GLU CA C 13 56.705 0.3 . 1 . . . . . 85 GLU CA . 50353 1 964 . 1 . 1 85 85 GLU CB C 13 30.251 0.3 . 1 . . . . . 85 GLU CB . 50353 1 965 . 1 . 1 85 85 GLU CG C 13 36.543 0.3 . 1 . . . . . 85 GLU CG . 50353 1 966 . 1 . 1 85 85 GLU CD C 13 184.054 0.3 . 1 . . . . . 85 GLU CD . 50353 1 967 . 1 . 1 85 85 GLU N N 15 125.093 0.3 . 1 . . . . . 85 GLU N . 50353 1 968 . 1 . 1 86 86 GLN H H 1 8.218 0.03 . 1 . . . . . 86 GLN H . 50353 1 969 . 1 . 1 86 86 GLN HA H 1 4.362 0.03 . 1 . . . . . 86 GLN HA . 50353 1 970 . 1 . 1 86 86 GLN HB2 H 1 2.136 0.03 . 2 . . . . . 86 GLN HB2 . 50353 1 971 . 1 . 1 86 86 GLN HB3 H 1 2.017 0.03 . 2 . . . . . 86 GLN HB3 . 50353 1 972 . 1 . 1 86 86 GLN HG2 H 1 2.385 0.03 . 1 . . . . . 86 GLN HG2 . 50353 1 973 . 1 . 1 86 86 GLN HG3 H 1 2.385 0.03 . 1 . . . . . 86 GLN HG3 . 50353 1 974 . 1 . 1 86 86 GLN HE21 H 1 7.505 0.03 . 2 . . . . . 86 GLN HE21 . 50353 1 975 . 1 . 1 86 86 GLN HE22 H 1 6.87 0.03 . 2 . . . . . 86 GLN HE22 . 50353 1 976 . 1 . 1 86 86 GLN C C 13 176.399 0.3 . 1 . . . . . 86 GLN C . 50353 1 977 . 1 . 1 86 86 GLN CA C 13 56.289 0.3 . 1 . . . . . 86 GLN CA . 50353 1 978 . 1 . 1 86 86 GLN CB C 13 29.565 0.3 . 1 . . . . . 86 GLN CB . 50353 1 979 . 1 . 1 86 86 GLN CG C 13 33.943 0.3 . 1 . . . . . 86 GLN CG . 50353 1 980 . 1 . 1 86 86 GLN CD C 13 180.297 0.3 . 1 . . . . . 86 GLN CD . 50353 1 981 . 1 . 1 86 86 GLN N N 15 121.618 0.3 . 1 . . . . . 86 GLN N . 50353 1 982 . 1 . 1 86 86 GLN NE2 N 15 112.008 0.3 . 1 . . . . . 86 GLN NE2 . 50353 1 983 . 1 . 1 87 87 GLY H H 1 8.601 0.03 . 1 . . . . . 87 GLY H . 50353 1 984 . 1 . 1 87 87 GLY HA2 H 1 4.294 0.03 . 2 . . . . . 87 GLY HA2 . 50353 1 985 . 1 . 1 87 87 GLY HA3 H 1 3.854 0.03 . 2 . . . . . 87 GLY HA3 . 50353 1 986 . 1 . 1 87 87 GLY C C 13 174.995 0.3 . 1 . . . . . 87 GLY C . 50353 1 987 . 1 . 1 87 87 GLY CA C 13 45.525 0.3 . 1 . . . . . 87 GLY CA . 50353 1 988 . 1 . 1 87 87 GLY N N 15 111.129 0.3 . 1 . . . . . 87 GLY N . 50353 1 989 . 1 . 1 88 88 GLY H H 1 8.444 0.03 . 1 . . . . . 88 GLY H . 50353 1 990 . 1 . 1 88 88 GLY HA2 H 1 3.881 0.03 . 1 . . . . . 88 GLY HA2 . 50353 1 991 . 1 . 1 88 88 GLY HA3 H 1 3.881 0.03 . 1 . . . . . 88 GLY HA3 . 50353 1 992 . 1 . 1 88 88 GLY C C 13 174.641 0.3 . 1 . . . . . 88 GLY C . 50353 1 993 . 1 . 1 88 88 GLY CA C 13 45.756 0.3 . 1 . . . . . 88 GLY CA . 50353 1 994 . 1 . 1 88 88 GLY N N 15 109.163 0.3 . 1 . . . . . 88 GLY N . 50353 1 995 . 1 . 1 89 89 MET H H 1 8.226 0.03 . 1 . . . . . 89 MET H . 50353 1 996 . 1 . 1 89 89 MET HA H 1 4.674 0.03 . 1 . . . . . 89 MET HA . 50353 1 997 . 1 . 1 89 89 MET HB2 H 1 2.088 0.03 . 1 . . . . . 89 MET HB2 . 50353 1 998 . 1 . 1 89 89 MET HB3 H 1 2.088 0.03 . 1 . . . . . 89 MET HB3 . 50353 1 999 . 1 . 1 89 89 MET HG2 H 1 2.574 0.03 . 2 . . . . . 89 MET HG2 . 50353 1 1000 . 1 . 1 89 89 MET HG3 H 1 2.173 0.03 . 2 . . . . . 89 MET HG3 . 50353 1 1001 . 1 . 1 89 89 MET HE1 H 1 2.067 0.03 . 1 . . . . . 89 MET HE1 . 50353 1 1002 . 1 . 1 89 89 MET HE2 H 1 2.067 0.03 . 1 . . . . . 89 MET HE2 . 50353 1 1003 . 1 . 1 89 89 MET HE3 H 1 2.067 0.03 . 1 . . . . . 89 MET HE3 . 50353 1 1004 . 1 . 1 89 89 MET C C 13 175.938 0.3 . 1 . . . . . 89 MET C . 50353 1 1005 . 1 . 1 89 89 MET CA C 13 54.762 0.3 . 1 . . . . . 89 MET CA . 50353 1 1006 . 1 . 1 89 89 MET CB C 13 32.757 0.3 . 1 . . . . . 89 MET CB . 50353 1 1007 . 1 . 1 89 89 MET CG C 13 31.958 0.3 . 1 . . . . . 89 MET CG . 50353 1 1008 . 1 . 1 89 89 MET CE C 13 17.53 0.3 . 1 . . . . . 89 MET CE . 50353 1 1009 . 1 . 1 89 89 MET N N 15 120.16 0.3 . 1 . . . . . 89 MET N . 50353 1 1010 . 1 . 1 90 90 SER H H 1 8.316 0.03 . 1 . . . . . 90 SER H . 50353 1 1011 . 1 . 1 90 90 SER HA H 1 4.433 0.03 . 1 . . . . . 90 SER HA . 50353 1 1012 . 1 . 1 90 90 SER HB2 H 1 4.288 0.03 . 2 . . . . . 90 SER HB2 . 50353 1 1013 . 1 . 1 90 90 SER HB3 H 1 4.029 0.03 . 2 . . . . . 90 SER HB3 . 50353 1 1014 . 1 . 1 90 90 SER C C 13 175.086 0.3 . 1 . . . . . 90 SER C . 50353 1 1015 . 1 . 1 90 90 SER CA C 13 58.033 0.3 . 1 . . . . . 90 SER CA . 50353 1 1016 . 1 . 1 90 90 SER CB C 13 64.797 0.3 . 1 . . . . . 90 SER CB . 50353 1 1017 . 1 . 1 90 90 SER N N 15 116.97 0.3 . 1 . . . . . 90 SER N . 50353 1 1018 . 1 . 1 91 91 MET HA H 1 4.364 0.03 . 1 . . . . . 91 MET HA . 50353 1 1019 . 1 . 1 91 91 MET HB2 H 1 1.965 0.03 . 2 . . . . . 91 MET HB2 . 50353 1 1020 . 1 . 1 91 91 MET HB3 H 1 2.072 0.03 . 2 . . . . . 91 MET HB3 . 50353 1 1021 . 1 . 1 91 91 MET HG2 H 1 2.578 0.03 . 1 . . . . . 91 MET HG2 . 50353 1 1022 . 1 . 1 91 91 MET HG3 H 1 2.578 0.03 . 1 . . . . . 91 MET HG3 . 50353 1 1023 . 1 . 1 91 91 MET HE1 H 1 1.965 0.03 . 1 . . . . . 91 MET HE1 . 50353 1 1024 . 1 . 1 91 91 MET HE2 H 1 1.965 0.03 . 1 . . . . . 91 MET HE2 . 50353 1 1025 . 1 . 1 91 91 MET HE3 H 1 1.965 0.03 . 1 . . . . . 91 MET HE3 . 50353 1 1026 . 1 . 1 91 91 MET CA C 13 58.439 0.3 . 1 . . . . . 91 MET CA . 50353 1 1027 . 1 . 1 91 91 MET CB C 13 32.942 0.3 . 1 . . . . . 91 MET CB . 50353 1 1028 . 1 . 1 91 91 MET CG C 13 32.029 0.3 . 1 . . . . . 91 MET CG . 50353 1 1029 . 1 . 1 91 91 MET CE C 13 17.636 0.3 . 1 . . . . . 91 MET CE . 50353 1 1030 . 1 . 1 92 92 ALA H H 1 8.219 0.03 . 1 . . . . . 92 ALA H . 50353 1 1031 . 1 . 1 92 92 ALA HA H 1 4.147 0.03 . 1 . . . . . 92 ALA HA . 50353 1 1032 . 1 . 1 92 92 ALA HB1 H 1 1.439 0.03 . 1 . . . . . 92 ALA HB1 . 50353 1 1033 . 1 . 1 92 92 ALA HB2 H 1 1.439 0.03 . 1 . . . . . 92 ALA HB2 . 50353 1 1034 . 1 . 1 92 92 ALA HB3 H 1 1.439 0.03 . 1 . . . . . 92 ALA HB3 . 50353 1 1035 . 1 . 1 92 92 ALA C C 13 179.691 0.3 . 1 . . . . . 92 ALA C . 50353 1 1036 . 1 . 1 92 92 ALA CA C 13 55.371 0.3 . 1 . . . . . 92 ALA CA . 50353 1 1037 . 1 . 1 92 92 ALA CB C 13 18.158 0.3 . 1 . . . . . 92 ALA CB . 50353 1 1038 . 1 . 1 93 93 VAL H H 1 7.62 0.03 . 1 . . . . . 93 VAL H . 50353 1 1039 . 1 . 1 93 93 VAL HA H 1 3.693 0.03 . 1 . . . . . 93 VAL HA . 50353 1 1040 . 1 . 1 93 93 VAL HB H 1 2.16 0.03 . 1 . . . . . 93 VAL HB . 50353 1 1041 . 1 . 1 93 93 VAL HG11 H 1 0.937 0.03 . 2 . . . . . 93 VAL HG11 . 50353 1 1042 . 1 . 1 93 93 VAL HG12 H 1 0.937 0.03 . 2 . . . . . 93 VAL HG12 . 50353 1 1043 . 1 . 1 93 93 VAL HG13 H 1 0.937 0.03 . 2 . . . . . 93 VAL HG13 . 50353 1 1044 . 1 . 1 93 93 VAL HG21 H 1 1.081 0.03 . 2 . . . . . 93 VAL HG21 . 50353 1 1045 . 1 . 1 93 93 VAL HG22 H 1 1.081 0.03 . 2 . . . . . 93 VAL HG22 . 50353 1 1046 . 1 . 1 93 93 VAL HG23 H 1 1.081 0.03 . 2 . . . . . 93 VAL HG23 . 50353 1 1047 . 1 . 1 93 93 VAL C C 13 179.739 0.3 . 1 . . . . . 93 VAL C . 50353 1 1048 . 1 . 1 93 93 VAL CA C 13 66.247 0.3 . 1 . . . . . 93 VAL CA . 50353 1 1049 . 1 . 1 93 93 VAL CB C 13 31.753 0.3 . 1 . . . . . 93 VAL CB . 50353 1 1050 . 1 . 1 93 93 VAL CG1 C 13 21.175 0.3 . 2 . . . . . 93 VAL CG1 . 50353 1 1051 . 1 . 1 93 93 VAL CG2 C 13 22.978 0.3 . 2 . . . . . 93 VAL CG2 . 50353 1 1052 . 1 . 1 93 93 VAL N N 15 119.155 0.3 . 1 . . . . . 93 VAL N . 50353 1 1053 . 1 . 1 94 94 LYS H H 1 8.221 0.03 . 1 . . . . . 94 LYS H . 50353 1 1054 . 1 . 1 94 94 LYS HA H 1 3.621 0.03 . 1 . . . . . 94 LYS HA . 50353 1 1055 . 1 . 1 94 94 LYS HB2 H 1 2.061 0.03 . 2 . . . . . 94 LYS HB2 . 50353 1 1056 . 1 . 1 94 94 LYS HB3 H 1 1.644 0.03 . 2 . . . . . 94 LYS HB3 . 50353 1 1057 . 1 . 1 94 94 LYS HG2 H 1 1.417 0.03 . 2 . . . . . 94 LYS HG2 . 50353 1 1058 . 1 . 1 94 94 LYS HG3 H 1 0.842 0.03 . 2 . . . . . 94 LYS HG3 . 50353 1 1059 . 1 . 1 94 94 LYS HD2 H 1 1.827 0.03 . 2 . . . . . 94 LYS HD2 . 50353 1 1060 . 1 . 1 94 94 LYS HD3 H 1 1.641 0.03 . 2 . . . . . 94 LYS HD3 . 50353 1 1061 . 1 . 1 94 94 LYS HE2 H 1 2.893 0.03 . 2 . . . . . 94 LYS HE2 . 50353 1 1062 . 1 . 1 94 94 LYS HE3 H 1 3.141 0.03 . 2 . . . . . 94 LYS HE3 . 50353 1 1063 . 1 . 1 94 94 LYS C C 13 178.516 0.3 . 1 . . . . . 94 LYS C . 50353 1 1064 . 1 . 1 94 94 LYS CA C 13 60.694 0.3 . 1 . . . . . 94 LYS CA . 50353 1 1065 . 1 . 1 94 94 LYS CB C 13 32.984 0.3 . 1 . . . . . 94 LYS CB . 50353 1 1066 . 1 . 1 94 94 LYS CG C 13 26.479 0.3 . 1 . . . . . 94 LYS CG . 50353 1 1067 . 1 . 1 94 94 LYS CD C 13 29.623 0.3 . 1 . . . . . 94 LYS CD . 50353 1 1068 . 1 . 1 94 94 LYS CE C 13 42.238 0.3 . 1 . . . . . 94 LYS CE . 50353 1 1069 . 1 . 1 94 94 LYS N N 15 120.198 0.3 . 1 . . . . . 94 LYS N . 50353 1 1070 . 1 . 1 95 95 THR H H 1 8.785 0.03 . 1 . . . . . 95 THR H . 50353 1 1071 . 1 . 1 95 95 THR HA H 1 3.807 0.03 . 1 . . . . . 95 THR HA . 50353 1 1072 . 1 . 1 95 95 THR HB H 1 4.253 0.03 . 1 . . . . . 95 THR HB . 50353 1 1073 . 1 . 1 95 95 THR HG21 H 1 1.181 0.03 . 1 . . . . . 95 THR HG21 . 50353 1 1074 . 1 . 1 95 95 THR HG22 H 1 1.181 0.03 . 1 . . . . . 95 THR HG22 . 50353 1 1075 . 1 . 1 95 95 THR HG23 H 1 1.181 0.03 . 1 . . . . . 95 THR HG23 . 50353 1 1076 . 1 . 1 95 95 THR C C 13 176.286 0.3 . 1 . . . . . 95 THR C . 50353 1 1077 . 1 . 1 95 95 THR CA C 13 68.047 0.3 . 1 . . . . . 95 THR CA . 50353 1 1078 . 1 . 1 95 95 THR CB C 13 68.064 0.3 . 1 . . . . . 95 THR CB . 50353 1 1079 . 1 . 1 95 95 THR CG2 C 13 21.171 0.3 . 1 . . . . . 95 THR CG2 . 50353 1 1080 . 1 . 1 95 95 THR N N 15 115.625 0.3 . 1 . . . . . 95 THR N . 50353 1 1081 . 1 . 1 96 96 ASN H H 1 8.294 0.03 . 1 . . . . . 96 ASN H . 50353 1 1082 . 1 . 1 96 96 ASN HA H 1 4.434 0.03 . 1 . . . . . 96 ASN HA . 50353 1 1083 . 1 . 1 96 96 ASN HB2 H 1 2.915 0.03 . 1 . . . . . 96 ASN HB2 . 50353 1 1084 . 1 . 1 96 96 ASN HB3 H 1 2.915 0.03 . 1 . . . . . 96 ASN HB3 . 50353 1 1085 . 1 . 1 96 96 ASN HD21 H 1 7.626 0.03 . 2 . . . . . 96 ASN HD21 . 50353 1 1086 . 1 . 1 96 96 ASN HD22 H 1 6.894 0.03 . 2 . . . . . 96 ASN HD22 . 50353 1 1087 . 1 . 1 96 96 ASN C C 13 177.064 0.3 . 1 . . . . . 96 ASN C . 50353 1 1088 . 1 . 1 96 96 ASN CA C 13 56.315 0.3 . 1 . . . . . 96 ASN CA . 50353 1 1089 . 1 . 1 96 96 ASN CB C 13 37.666 0.3 . 1 . . . . . 96 ASN CB . 50353 1 1090 . 1 . 1 96 96 ASN CG C 13 176.35 0.3 . 1 . . . . . 96 ASN CG . 50353 1 1091 . 1 . 1 96 96 ASN N N 15 120.33 0.3 . 1 . . . . . 96 ASN N . 50353 1 1092 . 1 . 1 96 96 ASN ND2 N 15 112.021 0.3 . 1 . . . . . 96 ASN ND2 . 50353 1 1093 . 1 . 1 97 97 ALA H H 1 7.991 0.03 . 1 . . . . . 97 ALA H . 50353 1 1094 . 1 . 1 97 97 ALA HA H 1 4.396 0.03 . 1 . . . . . 97 ALA HA . 50353 1 1095 . 1 . 1 97 97 ALA HB1 H 1 1.631 0.03 . 1 . . . . . 97 ALA HB1 . 50353 1 1096 . 1 . 1 97 97 ALA HB2 H 1 1.631 0.03 . 1 . . . . . 97 ALA HB2 . 50353 1 1097 . 1 . 1 97 97 ALA HB3 H 1 1.631 0.03 . 1 . . . . . 97 ALA HB3 . 50353 1 1098 . 1 . 1 97 97 ALA C C 13 181.354 0.3 . 1 . . . . . 97 ALA C . 50353 1 1099 . 1 . 1 97 97 ALA CA C 13 55.141 0.3 . 1 . . . . . 97 ALA CA . 50353 1 1100 . 1 . 1 97 97 ALA CB C 13 18.552 0.3 . 1 . . . . . 97 ALA CB . 50353 1 1101 . 1 . 1 97 97 ALA N N 15 121.915 0.3 . 1 . . . . . 97 ALA N . 50353 1 1102 . 1 . 1 98 98 ILE H H 1 8.282 0.03 . 1 . . . . . 98 ILE H . 50353 1 1103 . 1 . 1 98 98 ILE HA H 1 3.894 0.03 . 1 . . . . . 98 ILE HA . 50353 1 1104 . 1 . 1 98 98 ILE HB H 1 2.344 0.03 . 1 . . . . . 98 ILE HB . 50353 1 1105 . 1 . 1 98 98 ILE HG12 H 1 1.249 0.03 . 2 . . . . . 98 ILE HG12 . 50353 1 1106 . 1 . 1 98 98 ILE HG13 H 1 2.28 0.03 . 2 . . . . . 98 ILE HG13 . 50353 1 1107 . 1 . 1 98 98 ILE HG21 H 1 1.089 0.03 . 1 . . . . . 98 ILE HG21 . 50353 1 1108 . 1 . 1 98 98 ILE HG22 H 1 1.089 0.03 . 1 . . . . . 98 ILE HG22 . 50353 1 1109 . 1 . 1 98 98 ILE HG23 H 1 1.089 0.03 . 1 . . . . . 98 ILE HG23 . 50353 1 1110 . 1 . 1 98 98 ILE HD11 H 1 0.986 0.03 . 1 . . . . . 98 ILE HD11 . 50353 1 1111 . 1 . 1 98 98 ILE HD12 H 1 0.986 0.03 . 1 . . . . . 98 ILE HD12 . 50353 1 1112 . 1 . 1 98 98 ILE HD13 H 1 0.986 0.03 . 1 . . . . . 98 ILE HD13 . 50353 1 1113 . 1 . 1 98 98 ILE C C 13 177.5 0.3 . 1 . . . . . 98 ILE C . 50353 1 1114 . 1 . 1 98 98 ILE CA C 13 66.065 0.3 . 1 . . . . . 98 ILE CA . 50353 1 1115 . 1 . 1 98 98 ILE CB C 13 38.192 0.3 . 1 . . . . . 98 ILE CB . 50353 1 1116 . 1 . 1 98 98 ILE CG1 C 13 30.248 0.3 . 1 . . . . . 98 ILE CG1 . 50353 1 1117 . 1 . 1 98 98 ILE CG2 C 13 16.636 0.3 . 1 . . . . . 98 ILE CG2 . 50353 1 1118 . 1 . 1 98 98 ILE CD1 C 13 14.424 0.3 . 1 . . . . . 98 ILE CD1 . 50353 1 1119 . 1 . 1 98 98 ILE N N 15 120.844 0.3 . 1 . . . . . 98 ILE N . 50353 1 1120 . 1 . 1 99 99 VAL H H 1 8.518 0.03 . 1 . . . . . 99 VAL H . 50353 1 1121 . 1 . 1 99 99 VAL HA H 1 3.638 0.03 . 1 . . . . . 99 VAL HA . 50353 1 1122 . 1 . 1 99 99 VAL HB H 1 2.33 0.03 . 1 . . . . . 99 VAL HB . 50353 1 1123 . 1 . 1 99 99 VAL HG11 H 1 1.037 0.03 . 2 . . . . . 99 VAL HG11 . 50353 1 1124 . 1 . 1 99 99 VAL HG12 H 1 1.037 0.03 . 2 . . . . . 99 VAL HG12 . 50353 1 1125 . 1 . 1 99 99 VAL HG13 H 1 1.037 0.03 . 2 . . . . . 99 VAL HG13 . 50353 1 1126 . 1 . 1 99 99 VAL HG21 H 1 1.152 0.03 . 2 . . . . . 99 VAL HG21 . 50353 1 1127 . 1 . 1 99 99 VAL HG22 H 1 1.152 0.03 . 2 . . . . . 99 VAL HG22 . 50353 1 1128 . 1 . 1 99 99 VAL HG23 H 1 1.152 0.03 . 2 . . . . . 99 VAL HG23 . 50353 1 1129 . 1 . 1 99 99 VAL C C 13 177.835 0.3 . 1 . . . . . 99 VAL C . 50353 1 1130 . 1 . 1 99 99 VAL CA C 13 68.021 0.3 . 1 . . . . . 99 VAL CA . 50353 1 1131 . 1 . 1 99 99 VAL CB C 13 31.488 0.3 . 1 . . . . . 99 VAL CB . 50353 1 1132 . 1 . 1 99 99 VAL CG1 C 13 21.486 0.3 . 2 . . . . . 99 VAL CG1 . 50353 1 1133 . 1 . 1 99 99 VAL CG2 C 13 22.681 0.3 . 2 . . . . . 99 VAL CG2 . 50353 1 1134 . 1 . 1 99 99 VAL N N 15 121.383 0.3 . 1 . . . . . 99 VAL N . 50353 1 1135 . 1 . 1 100 100 ASP H H 1 8.783 0.03 . 1 . . . . . 100 ASP H . 50353 1 1136 . 1 . 1 100 100 ASP HA H 1 4.633 0.03 . 1 . . . . . 100 ASP HA . 50353 1 1137 . 1 . 1 100 100 ASP HB2 H 1 2.851 0.03 . 2 . . . . . 100 ASP HB2 . 50353 1 1138 . 1 . 1 100 100 ASP HB3 H 1 2.744 0.03 . 2 . . . . . 100 ASP HB3 . 50353 1 1139 . 1 . 1 100 100 ASP C C 13 179.799 0.3 . 1 . . . . . 100 ASP C . 50353 1 1140 . 1 . 1 100 100 ASP CA C 13 57.685 0.3 . 1 . . . . . 100 ASP CA . 50353 1 1141 . 1 . 1 100 100 ASP CB C 13 40.315 0.3 . 1 . . . . . 100 ASP CB . 50353 1 1142 . 1 . 1 100 100 ASP CG C 13 177.059 0.3 . 1 . . . . . 100 ASP CG . 50353 1 1143 . 1 . 1 100 100 ASP N N 15 120.007 0.3 . 1 . . . . . 100 ASP N . 50353 1 1144 . 1 . 1 101 101 GLY H H 1 8.508 0.03 . 1 . . . . . 101 GLY H . 50353 1 1145 . 1 . 1 101 101 GLY HA2 H 1 3.888 0.03 . 2 . . . . . 101 GLY HA2 . 50353 1 1146 . 1 . 1 101 101 GLY HA3 H 1 3.623 0.03 . 2 . . . . . 101 GLY HA3 . 50353 1 1147 . 1 . 1 101 101 GLY C C 13 175.849 0.3 . 1 . . . . . 101 GLY C . 50353 1 1148 . 1 . 1 101 101 GLY CA C 13 47.277 0.3 . 1 . . . . . 101 GLY CA . 50353 1 1149 . 1 . 1 101 101 GLY N N 15 109.354 0.3 . 1 . . . . . 101 GLY N . 50353 1 1150 . 1 . 1 102 102 LEU H H 1 8.987 0.03 . 1 . . . . . 102 LEU H . 50353 1 1151 . 1 . 1 102 102 LEU HA H 1 4.23 0.03 . 1 . . . . . 102 LEU HA . 50353 1 1152 . 1 . 1 102 102 LEU HB2 H 1 2.668 0.03 . 2 . . . . . 102 LEU HB2 . 50353 1 1153 . 1 . 1 102 102 LEU HB3 H 1 1.623 0.03 . 2 . . . . . 102 LEU HB3 . 50353 1 1154 . 1 . 1 102 102 LEU HG H 1 2.49 0.03 . 1 . . . . . 102 LEU HG . 50353 1 1155 . 1 . 1 102 102 LEU HD11 H 1 0.863 0.03 . 2 . . . . . 102 LEU HD11 . 50353 1 1156 . 1 . 1 102 102 LEU HD12 H 1 0.863 0.03 . 2 . . . . . 102 LEU HD12 . 50353 1 1157 . 1 . 1 102 102 LEU HD13 H 1 0.863 0.03 . 2 . . . . . 102 LEU HD13 . 50353 1 1158 . 1 . 1 102 102 LEU HD21 H 1 1.071 0.03 . 2 . . . . . 102 LEU HD21 . 50353 1 1159 . 1 . 1 102 102 LEU HD22 H 1 1.071 0.03 . 2 . . . . . 102 LEU HD22 . 50353 1 1160 . 1 . 1 102 102 LEU HD23 H 1 1.071 0.03 . 2 . . . . . 102 LEU HD23 . 50353 1 1161 . 1 . 1 102 102 LEU C C 13 178.376 0.3 . 1 . . . . . 102 LEU C . 50353 1 1162 . 1 . 1 102 102 LEU CA C 13 58.346 0.3 . 1 . . . . . 102 LEU CA . 50353 1 1163 . 1 . 1 102 102 LEU CB C 13 43.408 0.3 . 1 . . . . . 102 LEU CB . 50353 1 1164 . 1 . 1 102 102 LEU CG C 13 26.327 0.3 . 1 . . . . . 102 LEU CG . 50353 1 1165 . 1 . 1 102 102 LEU CD1 C 13 24.609 0.3 . 2 . . . . . 102 LEU CD1 . 50353 1 1166 . 1 . 1 102 102 LEU CD2 C 13 27.335 0.3 . 2 . . . . . 102 LEU CD2 . 50353 1 1167 . 1 . 1 102 102 LEU N N 15 123.481 0.3 . 1 . . . . . 102 LEU N . 50353 1 1168 . 1 . 1 103 103 ASN H H 1 8.489 0.03 . 1 . . . . . 103 ASN H . 50353 1 1169 . 1 . 1 103 103 ASN HA H 1 4.873 0.03 . 1 . . . . . 103 ASN HA . 50353 1 1170 . 1 . 1 103 103 ASN HB2 H 1 3.063 0.03 . 1 . . . . . 103 ASN HB2 . 50353 1 1171 . 1 . 1 103 103 ASN HB3 H 1 3.063 0.03 . 1 . . . . . 103 ASN HB3 . 50353 1 1172 . 1 . 1 103 103 ASN HD21 H 1 7.997 0.03 . 2 . . . . . 103 ASN HD21 . 50353 1 1173 . 1 . 1 103 103 ASN HD22 H 1 6.946 0.03 . 2 . . . . . 103 ASN HD22 . 50353 1 1174 . 1 . 1 103 103 ASN C C 13 178.836 0.3 . 1 . . . . . 103 ASN C . 50353 1 1175 . 1 . 1 103 103 ASN CA C 13 56.861 0.3 . 1 . . . . . 103 ASN CA . 50353 1 1176 . 1 . 1 103 103 ASN CB C 13 38.53 0.3 . 1 . . . . . 103 ASN CB . 50353 1 1177 . 1 . 1 103 103 ASN CG C 13 175.21 0.3 . 1 . . . . . 103 ASN CG . 50353 1 1178 . 1 . 1 103 103 ASN N N 15 118.005 0.3 . 1 . . . . . 103 ASN N . 50353 1 1179 . 1 . 1 103 103 ASN ND2 N 15 113.281 0.3 . 1 . . . . . 103 ASN ND2 . 50353 1 1180 . 1 . 1 104 104 SER H H 1 8.704 0.03 . 1 . . . . . 104 SER H . 50353 1 1181 . 1 . 1 104 104 SER HA H 1 4.354 0.03 . 1 . . . . . 104 SER HA . 50353 1 1182 . 1 . 1 104 104 SER HB2 H 1 4.026 0.03 . 2 . . . . . 104 SER HB2 . 50353 1 1183 . 1 . 1 104 104 SER HB3 H 1 3.959 0.03 . 2 . . . . . 104 SER HB3 . 50353 1 1184 . 1 . 1 104 104 SER C C 13 176.154 0.3 . 1 . . . . . 104 SER C . 50353 1 1185 . 1 . 1 104 104 SER CA C 13 61.766 0.3 . 1 . . . . . 104 SER CA . 50353 1 1186 . 1 . 1 104 104 SER CB C 13 62.781 0.3 . 1 . . . . . 104 SER CB . 50353 1 1187 . 1 . 1 104 104 SER N N 15 116.341 0.3 . 1 . . . . . 104 SER N . 50353 1 1188 . 1 . 1 105 105 ALA H H 1 8.775 0.03 . 1 . . . . . 105 ALA H . 50353 1 1189 . 1 . 1 105 105 ALA HA H 1 3.895 0.03 . 1 . . . . . 105 ALA HA . 50353 1 1190 . 1 . 1 105 105 ALA HB1 H 1 0.942 0.03 . 1 . . . . . 105 ALA HB1 . 50353 1 1191 . 1 . 1 105 105 ALA HB2 H 1 0.942 0.03 . 1 . . . . . 105 ALA HB2 . 50353 1 1192 . 1 . 1 105 105 ALA HB3 H 1 0.942 0.03 . 1 . . . . . 105 ALA HB3 . 50353 1 1193 . 1 . 1 105 105 ALA C C 13 181.777 0.3 . 1 . . . . . 105 ALA C . 50353 1 1194 . 1 . 1 105 105 ALA CA C 13 55.568 0.3 . 1 . . . . . 105 ALA CA . 50353 1 1195 . 1 . 1 105 105 ALA CB C 13 17.792 0.3 . 1 . . . . . 105 ALA CB . 50353 1 1196 . 1 . 1 105 105 ALA N N 15 123.071 0.3 . 1 . . . . . 105 ALA N . 50353 1 1197 . 1 . 1 106 106 PHE H H 1 8.911 0.03 . 1 . . . . . 106 PHE H . 50353 1 1198 . 1 . 1 106 106 PHE HA H 1 4.217 0.03 . 1 . . . . . 106 PHE HA . 50353 1 1199 . 1 . 1 106 106 PHE HB2 H 1 3.737 0.03 . 2 . . . . . 106 PHE HB2 . 50353 1 1200 . 1 . 1 106 106 PHE HB3 H 1 3.212 0.03 . 2 . . . . . 106 PHE HB3 . 50353 1 1201 . 1 . 1 106 106 PHE HD1 H 1 7.317 0.03 . 1 . . . . . 106 PHE HD1 . 50353 1 1202 . 1 . 1 106 106 PHE HD2 H 1 7.317 0.03 . 1 . . . . . 106 PHE HD2 . 50353 1 1203 . 1 . 1 106 106 PHE HE1 H 1 6.899 0.03 . 1 . . . . . 106 PHE HE1 . 50353 1 1204 . 1 . 1 106 106 PHE HE2 H 1 6.899 0.03 . 1 . . . . . 106 PHE HE2 . 50353 1 1205 . 1 . 1 106 106 PHE HZ H 1 5.844 0.03 . 1 . . . . . 106 PHE HZ . 50353 1 1206 . 1 . 1 106 106 PHE C C 13 179.12 0.3 . 1 . . . . . 106 PHE C . 50353 1 1207 . 1 . 1 106 106 PHE CA C 13 65.602 0.3 . 1 . . . . . 106 PHE CA . 50353 1 1208 . 1 . 1 106 106 PHE CB C 13 37.936 0.3 . 1 . . . . . 106 PHE CB . 50353 1 1209 . 1 . 1 106 106 PHE CD1 C 13 132.471 0.3 . 1 . . . . . 106 PHE CD1 . 50353 1 1210 . 1 . 1 106 106 PHE CD2 C 13 132.471 0.3 . 1 . . . . . 106 PHE CD2 . 50353 1 1211 . 1 . 1 106 106 PHE CE1 C 13 130.744 0.3 . 1 . . . . . 106 PHE CE1 . 50353 1 1212 . 1 . 1 106 106 PHE CE2 C 13 130.744 0.3 . 1 . . . . . 106 PHE CE2 . 50353 1 1213 . 1 . 1 106 106 PHE N N 15 121.698 0.3 . 1 . . . . . 106 PHE N . 50353 1 1214 . 1 . 1 107 107 TYR H H 1 8.058 0.03 . 1 . . . . . 107 TYR H . 50353 1 1215 . 1 . 1 107 107 TYR HA H 1 4.049 0.03 . 1 . . . . . 107 TYR HA . 50353 1 1216 . 1 . 1 107 107 TYR HB2 H 1 3.127 0.03 . 1 . . . . . 107 TYR HB2 . 50353 1 1217 . 1 . 1 107 107 TYR HB3 H 1 3.127 0.03 . 1 . . . . . 107 TYR HB3 . 50353 1 1218 . 1 . 1 107 107 TYR HD1 H 1 6.99 0.03 . 1 . . . . . 107 TYR HD1 . 50353 1 1219 . 1 . 1 107 107 TYR HD2 H 1 6.99 0.03 . 1 . . . . . 107 TYR HD2 . 50353 1 1220 . 1 . 1 107 107 TYR HE1 H 1 7.095 0.03 . 1 . . . . . 107 TYR HE1 . 50353 1 1221 . 1 . 1 107 107 TYR HE2 H 1 7.095 0.03 . 1 . . . . . 107 TYR HE2 . 50353 1 1222 . 1 . 1 107 107 TYR C C 13 179.194 0.3 . 1 . . . . . 107 TYR C . 50353 1 1223 . 1 . 1 107 107 TYR CA C 13 62.752 0.3 . 1 . . . . . 107 TYR CA . 50353 1 1224 . 1 . 1 107 107 TYR CB C 13 37.947 0.3 . 1 . . . . . 107 TYR CB . 50353 1 1225 . 1 . 1 107 107 TYR CD1 C 13 132.5 0.3 . 1 . . . . . 107 TYR CD1 . 50353 1 1226 . 1 . 1 107 107 TYR CD2 C 13 132.5 0.3 . 1 . . . . . 107 TYR CD2 . 50353 1 1227 . 1 . 1 107 107 TYR CE1 C 13 118.047 0.3 . 1 . . . . . 107 TYR CE1 . 50353 1 1228 . 1 . 1 107 107 TYR CE2 C 13 118.047 0.3 . 1 . . . . . 107 TYR CE2 . 50353 1 1229 . 1 . 1 107 107 TYR N N 15 122.796 0.3 . 1 . . . . . 107 TYR N . 50353 1 1230 . 1 . 1 108 108 MET H H 1 8.862 0.03 . 1 . . . . . 108 MET H . 50353 1 1231 . 1 . 1 108 108 MET HA H 1 4.103 0.03 . 1 . . . . . 108 MET HA . 50353 1 1232 . 1 . 1 108 108 MET HB2 H 1 2.109 0.03 . 2 . . . . . 108 MET HB2 . 50353 1 1233 . 1 . 1 108 108 MET HB3 H 1 1.905 0.03 . 2 . . . . . 108 MET HB3 . 50353 1 1234 . 1 . 1 108 108 MET HG2 H 1 2.784 0.03 . 2 . . . . . 108 MET HG2 . 50353 1 1235 . 1 . 1 108 108 MET HG3 H 1 2.64 0.03 . 2 . . . . . 108 MET HG3 . 50353 1 1236 . 1 . 1 108 108 MET HE1 H 1 2.184 0.03 . 1 . . . . . 108 MET HE1 . 50353 1 1237 . 1 . 1 108 108 MET HE2 H 1 2.184 0.03 . 1 . . . . . 108 MET HE2 . 50353 1 1238 . 1 . 1 108 108 MET HE3 H 1 2.184 0.03 . 1 . . . . . 108 MET HE3 . 50353 1 1239 . 1 . 1 108 108 MET C C 13 177.322 0.3 . 1 . . . . . 108 MET C . 50353 1 1240 . 1 . 1 108 108 MET CA C 13 57.928 0.3 . 1 . . . . . 108 MET CA . 50353 1 1241 . 1 . 1 108 108 MET CB C 13 34.183 0.3 . 1 . . . . . 108 MET CB . 50353 1 1242 . 1 . 1 108 108 MET CG C 13 32.243 0.3 . 1 . . . . . 108 MET CG . 50353 1 1243 . 1 . 1 108 108 MET CE C 13 17.518 0.3 . 1 . . . . . 108 MET CE . 50353 1 1244 . 1 . 1 108 108 MET N N 15 117.054 0.3 . 1 . . . . . 108 MET N . 50353 1 1245 . 1 . 1 109 109 THR H H 1 7.886 0.03 . 1 . . . . . 109 THR H . 50353 1 1246 . 1 . 1 109 109 THR HA H 1 4.157 0.03 . 1 . . . . . 109 THR HA . 50353 1 1247 . 1 . 1 109 109 THR HB H 1 4.16 0.03 . 1 . . . . . 109 THR HB . 50353 1 1248 . 1 . 1 109 109 THR HG1 H 1 5.631 0.03 . 1 . . . . . 109 THR HG1 . 50353 1 1249 . 1 . 1 109 109 THR HG21 H 1 1.326 0.03 . 1 . . . . . 109 THR HG21 . 50353 1 1250 . 1 . 1 109 109 THR HG22 H 1 1.326 0.03 . 1 . . . . . 109 THR HG22 . 50353 1 1251 . 1 . 1 109 109 THR HG23 H 1 1.326 0.03 . 1 . . . . . 109 THR HG23 . 50353 1 1252 . 1 . 1 109 109 THR C C 13 175.411 0.3 . 1 . . . . . 109 THR C . 50353 1 1253 . 1 . 1 109 109 THR CA C 13 65.356 0.3 . 1 . . . . . 109 THR CA . 50353 1 1254 . 1 . 1 109 109 THR CB C 13 70.179 0.3 . 1 . . . . . 109 THR CB . 50353 1 1255 . 1 . 1 109 109 THR CG2 C 13 21.974 0.3 . 1 . . . . . 109 THR CG2 . 50353 1 1256 . 1 . 1 109 109 THR N N 15 110.739 0.3 . 1 . . . . . 109 THR N . 50353 1 1257 . 1 . 1 110 110 THR H H 1 8.263 0.03 . 1 . . . . . 110 THR H . 50353 1 1258 . 1 . 1 110 110 THR HA H 1 4.418 0.03 . 1 . . . . . 110 THR HA . 50353 1 1259 . 1 . 1 110 110 THR HB H 1 4.38 0.03 . 1 . . . . . 110 THR HB . 50353 1 1260 . 1 . 1 110 110 THR HG21 H 1 1.109 0.03 . 1 . . . . . 110 THR HG21 . 50353 1 1261 . 1 . 1 110 110 THR HG22 H 1 1.109 0.03 . 1 . . . . . 110 THR HG22 . 50353 1 1262 . 1 . 1 110 110 THR HG23 H 1 1.109 0.03 . 1 . . . . . 110 THR HG23 . 50353 1 1263 . 1 . 1 110 110 THR C C 13 175.44 0.3 . 1 . . . . . 110 THR C . 50353 1 1264 . 1 . 1 110 110 THR CA C 13 61.749 0.3 . 1 . . . . . 110 THR CA . 50353 1 1265 . 1 . 1 110 110 THR CB C 13 71.964 0.3 . 1 . . . . . 110 THR CB . 50353 1 1266 . 1 . 1 110 110 THR CG2 C 13 21.119 0.3 . 1 . . . . . 110 THR CG2 . 50353 1 1267 . 1 . 1 110 110 THR N N 15 108.848 0.3 . 1 . . . . . 110 THR N . 50353 1 1268 . 1 . 1 111 111 GLY H H 1 7.943 0.03 . 1 . . . . . 111 GLY H . 50353 1 1269 . 1 . 1 111 111 GLY HA2 H 1 4.178 0.03 . 2 . . . . . 111 GLY HA2 . 50353 1 1270 . 1 . 1 111 111 GLY HA3 H 1 3.681 0.03 . 2 . . . . . 111 GLY HA3 . 50353 1 1271 . 1 . 1 111 111 GLY C C 13 172.514 0.3 . 1 . . . . . 111 GLY C . 50353 1 1272 . 1 . 1 111 111 GLY CA C 13 45.69 0.3 . 1 . . . . . 111 GLY CA . 50353 1 1273 . 1 . 1 111 111 GLY N N 15 111.287 0.3 . 1 . . . . . 111 GLY N . 50353 1 1274 . 1 . 1 112 112 ALA H H 1 7.81 0.03 . 1 . . . . . 112 ALA H . 50353 1 1275 . 1 . 1 112 112 ALA HA H 1 4.554 0.03 . 1 . . . . . 112 ALA HA . 50353 1 1276 . 1 . 1 112 112 ALA HB1 H 1 1.292 0.03 . 1 . . . . . 112 ALA HB1 . 50353 1 1277 . 1 . 1 112 112 ALA HB2 H 1 1.292 0.03 . 1 . . . . . 112 ALA HB2 . 50353 1 1278 . 1 . 1 112 112 ALA HB3 H 1 1.292 0.03 . 1 . . . . . 112 ALA HB3 . 50353 1 1279 . 1 . 1 112 112 ALA C C 13 174.108 0.3 . 1 . . . . . 112 ALA C . 50353 1 1280 . 1 . 1 112 112 ALA CA C 13 50.871 0.3 . 1 . . . . . 112 ALA CA . 50353 1 1281 . 1 . 1 112 112 ALA CB C 13 22.144 0.3 . 1 . . . . . 112 ALA CB . 50353 1 1282 . 1 . 1 112 112 ALA N N 15 122.515 0.3 . 1 . . . . . 112 ALA N . 50353 1 1283 . 1 . 1 113 113 ALA H H 1 7.958 0.03 . 1 . . . . . 113 ALA H . 50353 1 1284 . 1 . 1 113 113 ALA HA H 1 4.203 0.03 . 1 . . . . . 113 ALA HA . 50353 1 1285 . 1 . 1 113 113 ALA HB1 H 1 1.38 0.03 . 1 . . . . . 113 ALA HB1 . 50353 1 1286 . 1 . 1 113 113 ALA HB2 H 1 1.38 0.03 . 1 . . . . . 113 ALA HB2 . 50353 1 1287 . 1 . 1 113 113 ALA HB3 H 1 1.38 0.03 . 1 . . . . . 113 ALA HB3 . 50353 1 1288 . 1 . 1 113 113 ALA C C 13 177.918 0.3 . 1 . . . . . 113 ALA C . 50353 1 1289 . 1 . 1 113 113 ALA CA C 13 51.407 0.3 . 1 . . . . . 113 ALA CA . 50353 1 1290 . 1 . 1 113 113 ALA CB C 13 20.658 0.3 . 1 . . . . . 113 ALA CB . 50353 1 1291 . 1 . 1 113 113 ALA N N 15 119.474 0.3 . 1 . . . . . 113 ALA N . 50353 1 1292 . 1 . 1 114 114 ASN H H 1 8.52 0.03 . 1 . . . . . 114 ASN H . 50353 1 1293 . 1 . 1 114 114 ASN HA H 1 4.615 0.03 . 1 . . . . . 114 ASN HA . 50353 1 1294 . 1 . 1 114 114 ASN HB2 H 1 1.498 0.03 . 2 . . . . . 114 ASN HB2 . 50353 1 1295 . 1 . 1 114 114 ASN HB3 H 1 1.373 0.03 . 2 . . . . . 114 ASN HB3 . 50353 1 1296 . 1 . 1 114 114 ASN HD21 H 1 6.024 0.03 . 2 . . . . . 114 ASN HD21 . 50353 1 1297 . 1 . 1 114 114 ASN HD22 H 1 6.806 0.03 . 2 . . . . . 114 ASN HD22 . 50353 1 1298 . 1 . 1 114 114 ASN C C 13 171.528 0.3 . 1 . . . . . 114 ASN C . 50353 1 1299 . 1 . 1 114 114 ASN CA C 13 50.017 0.3 . 1 . . . . . 114 ASN CA . 50353 1 1300 . 1 . 1 114 114 ASN CB C 13 36.8 0.3 . 1 . . . . . 114 ASN CB . 50353 1 1301 . 1 . 1 114 114 ASN CG C 13 175.21 0.3 . 1 . . . . . 114 ASN CG . 50353 1 1302 . 1 . 1 114 114 ASN N N 15 115.489 0.3 . 1 . . . . . 114 ASN N . 50353 1 1303 . 1 . 1 114 114 ASN ND2 N 15 111.666 0.3 . 1 . . . . . 114 ASN ND2 . 50353 1 1304 . 1 . 1 115 115 PRO HA H 1 4.344 0.03 . 1 . . . . . 115 PRO HA . 50353 1 1305 . 1 . 1 115 115 PRO HB2 H 1 1.939 0.03 . 2 . . . . . 115 PRO HB2 . 50353 1 1306 . 1 . 1 115 115 PRO HB3 H 1 2.329 0.03 . 2 . . . . . 115 PRO HB3 . 50353 1 1307 . 1 . 1 115 115 PRO HG2 H 1 2.055 0.03 . 2 . . . . . 115 PRO HG2 . 50353 1 1308 . 1 . 1 115 115 PRO HG3 H 1 1.968 0.03 . 2 . . . . . 115 PRO HG3 . 50353 1 1309 . 1 . 1 115 115 PRO HD2 H 1 3.259 0.03 . 2 . . . . . 115 PRO HD2 . 50353 1 1310 . 1 . 1 115 115 PRO HD3 H 1 3.798 0.03 . 2 . . . . . 115 PRO HD3 . 50353 1 1311 . 1 . 1 115 115 PRO C C 13 178.604 0.3 . 1 . . . . . 115 PRO C . 50353 1 1312 . 1 . 1 115 115 PRO CA C 13 64.513 0.3 . 1 . . . . . 115 PRO CA . 50353 1 1313 . 1 . 1 115 115 PRO CB C 13 31.68 0.3 . 1 . . . . . 115 PRO CB . 50353 1 1314 . 1 . 1 115 115 PRO CG C 13 27.439 0.3 . 1 . . . . . 115 PRO CG . 50353 1 1315 . 1 . 1 115 115 PRO CD C 13 50.101 0.3 . 1 . . . . . 115 PRO CD . 50353 1 1316 . 1 . 1 116 116 GLN H H 1 8.199 0.03 . 1 . . . . . 116 GLN H . 50353 1 1317 . 1 . 1 116 116 GLN HA H 1 4.065 0.03 . 1 . . . . . 116 GLN HA . 50353 1 1318 . 1 . 1 116 116 GLN HB2 H 1 2.141 0.03 . 2 . . . . . 116 GLN HB2 . 50353 1 1319 . 1 . 1 116 116 GLN HB3 H 1 2.057 0.03 . 2 . . . . . 116 GLN HB3 . 50353 1 1320 . 1 . 1 116 116 GLN HG2 H 1 2.424 0.03 . 2 . . . . . 116 GLN HG2 . 50353 1 1321 . 1 . 1 116 116 GLN HG3 H 1 2.519 0.03 . 2 . . . . . 116 GLN HG3 . 50353 1 1322 . 1 . 1 116 116 GLN HE21 H 1 7.635 0.03 . 2 . . . . . 116 GLN HE21 . 50353 1 1323 . 1 . 1 116 116 GLN HE22 H 1 6.832 0.03 . 2 . . . . . 116 GLN HE22 . 50353 1 1324 . 1 . 1 116 116 GLN C C 13 178.465 0.3 . 1 . . . . . 116 GLN C . 50353 1 1325 . 1 . 1 116 116 GLN CA C 13 59.444 0.3 . 1 . . . . . 116 GLN CA . 50353 1 1326 . 1 . 1 116 116 GLN CB C 13 27.627 0.3 . 1 . . . . . 116 GLN CB . 50353 1 1327 . 1 . 1 116 116 GLN CG C 13 33.91 0.3 . 1 . . . . . 116 GLN CG . 50353 1 1328 . 1 . 1 116 116 GLN CD C 13 180.257 0.3 . 1 . . . . . 116 GLN CD . 50353 1 1329 . 1 . 1 116 116 GLN N N 15 117.398 0.3 . 1 . . . . . 116 GLN N . 50353 1 1330 . 1 . 1 116 116 GLN NE2 N 15 112.33 0.3 . 1 . . . . . 116 GLN NE2 . 50353 1 1331 . 1 . 1 117 117 PHE H H 1 7.347 0.03 . 1 . . . . . 117 PHE H . 50353 1 1332 . 1 . 1 117 117 PHE HA H 1 4.136 0.03 . 1 . . . . . 117 PHE HA . 50353 1 1333 . 1 . 1 117 117 PHE HB2 H 1 2.864 0.03 . 2 . . . . . 117 PHE HB2 . 50353 1 1334 . 1 . 1 117 117 PHE HB3 H 1 2.605 0.03 . 2 . . . . . 117 PHE HB3 . 50353 1 1335 . 1 . 1 117 117 PHE HD1 H 1 7.139 0.03 . 1 . . . . . 117 PHE HD1 . 50353 1 1336 . 1 . 1 117 117 PHE HD2 H 1 7.139 0.03 . 1 . . . . . 117 PHE HD2 . 50353 1 1337 . 1 . 1 117 117 PHE HE1 H 1 6.899 0.03 . 1 . . . . . 117 PHE HE1 . 50353 1 1338 . 1 . 1 117 117 PHE HE2 H 1 6.899 0.03 . 1 . . . . . 117 PHE HE2 . 50353 1 1339 . 1 . 1 117 117 PHE C C 13 177.689 0.3 . 1 . . . . . 117 PHE C . 50353 1 1340 . 1 . 1 117 117 PHE CA C 13 60.503 0.3 . 1 . . . . . 117 PHE CA . 50353 1 1341 . 1 . 1 117 117 PHE CB C 13 39.702 0.3 . 1 . . . . . 117 PHE CB . 50353 1 1342 . 1 . 1 117 117 PHE CD1 C 13 131.274 0.3 . 1 . . . . . 117 PHE CD1 . 50353 1 1343 . 1 . 1 117 117 PHE CD2 C 13 131.274 0.3 . 1 . . . . . 117 PHE CD2 . 50353 1 1344 . 1 . 1 117 117 PHE CE1 C 13 133.033 0.3 . 1 . . . . . 117 PHE CE1 . 50353 1 1345 . 1 . 1 117 117 PHE CE2 C 13 133.033 0.3 . 1 . . . . . 117 PHE CE2 . 50353 1 1346 . 1 . 1 117 117 PHE N N 15 120.191 0.3 . 1 . . . . . 117 PHE N . 50353 1 1347 . 1 . 1 118 118 VAL H H 1 7.775 0.03 . 1 . . . . . 118 VAL H . 50353 1 1348 . 1 . 1 118 118 VAL HA H 1 3.43 0.03 . 1 . . . . . 118 VAL HA . 50353 1 1349 . 1 . 1 118 118 VAL HB H 1 2.176 0.03 . 1 . . . . . 118 VAL HB . 50353 1 1350 . 1 . 1 118 118 VAL HG11 H 1 1.151 0.03 . 2 . . . . . 118 VAL HG11 . 50353 1 1351 . 1 . 1 118 118 VAL HG12 H 1 1.151 0.03 . 2 . . . . . 118 VAL HG12 . 50353 1 1352 . 1 . 1 118 118 VAL HG13 H 1 1.151 0.03 . 2 . . . . . 118 VAL HG13 . 50353 1 1353 . 1 . 1 118 118 VAL HG21 H 1 1.365 0.03 . 2 . . . . . 118 VAL HG21 . 50353 1 1354 . 1 . 1 118 118 VAL HG22 H 1 1.365 0.03 . 2 . . . . . 118 VAL HG22 . 50353 1 1355 . 1 . 1 118 118 VAL HG23 H 1 1.365 0.03 . 2 . . . . . 118 VAL HG23 . 50353 1 1356 . 1 . 1 118 118 VAL C C 13 177.251 0.3 . 1 . . . . . 118 VAL C . 50353 1 1357 . 1 . 1 118 118 VAL CA C 13 68.068 0.3 . 1 . . . . . 118 VAL CA . 50353 1 1358 . 1 . 1 118 118 VAL CB C 13 31.734 0.3 . 1 . . . . . 118 VAL CB . 50353 1 1359 . 1 . 1 118 118 VAL CG1 C 13 22.678 0.3 . 2 . . . . . 118 VAL CG1 . 50353 1 1360 . 1 . 1 118 118 VAL CG2 C 13 23.778 0.3 . 2 . . . . . 118 VAL CG2 . 50353 1 1361 . 1 . 1 118 118 VAL N N 15 118.465 0.3 . 1 . . . . . 118 VAL N . 50353 1 1362 . 1 . 1 119 119 ASN H H 1 8.629 0.03 . 1 . . . . . 119 ASN H . 50353 1 1363 . 1 . 1 119 119 ASN HA H 1 4.438 0.03 . 1 . . . . . 119 ASN HA . 50353 1 1364 . 1 . 1 119 119 ASN HB2 H 1 2.917 0.03 . 2 . . . . . 119 ASN HB2 . 50353 1 1365 . 1 . 1 119 119 ASN HB3 H 1 2.811 0.03 . 2 . . . . . 119 ASN HB3 . 50353 1 1366 . 1 . 1 119 119 ASN HD21 H 1 7.586 0.03 . 2 . . . . . 119 ASN HD21 . 50353 1 1367 . 1 . 1 119 119 ASN HD22 H 1 6.952 0.03 . 2 . . . . . 119 ASN HD22 . 50353 1 1368 . 1 . 1 119 119 ASN C C 13 178.559 0.3 . 1 . . . . . 119 ASN C . 50353 1 1369 . 1 . 1 119 119 ASN CA C 13 56.282 0.3 . 1 . . . . . 119 ASN CA . 50353 1 1370 . 1 . 1 119 119 ASN CB C 13 37.837 0.3 . 1 . . . . . 119 ASN CB . 50353 1 1371 . 1 . 1 119 119 ASN CG C 13 177.822 0.3 . 1 . . . . . 119 ASN CG . 50353 1 1372 . 1 . 1 119 119 ASN N N 15 118.212 0.3 . 1 . . . . . 119 ASN N . 50353 1 1373 . 1 . 1 119 119 ASN ND2 N 15 112.427 0.3 . 1 . . . . . 119 ASN ND2 . 50353 1 1374 . 1 . 1 120 120 GLU H H 1 8.044 0.03 . 1 . . . . . 120 GLU H . 50353 1 1375 . 1 . 1 120 120 GLU HA H 1 4.075 0.03 . 1 . . . . . 120 GLU HA . 50353 1 1376 . 1 . 1 120 120 GLU HB2 H 1 2.061 0.03 . 2 . . . . . 120 GLU HB2 . 50353 1 1377 . 1 . 1 120 120 GLU HB3 H 1 1.912 0.03 . 2 . . . . . 120 GLU HB3 . 50353 1 1378 . 1 . 1 120 120 GLU HG2 H 1 2.293 0.03 . 2 . . . . . 120 GLU HG2 . 50353 1 1379 . 1 . 1 120 120 GLU HG3 H 1 2.161 0.03 . 2 . . . . . 120 GLU HG3 . 50353 1 1380 . 1 . 1 120 120 GLU C C 13 178.961 0.3 . 1 . . . . . 120 GLU C . 50353 1 1381 . 1 . 1 120 120 GLU CA C 13 59.403 0.3 . 1 . . . . . 120 GLU CA . 50353 1 1382 . 1 . 1 120 120 GLU CB C 13 29.002 0.3 . 1 . . . . . 120 GLU CB . 50353 1 1383 . 1 . 1 120 120 GLU CG C 13 35.99 0.3 . 1 . . . . . 120 GLU CG . 50353 1 1384 . 1 . 1 120 120 GLU CD C 13 182.975 0.3 . 1 . . . . . 120 GLU CD . 50353 1 1385 . 1 . 1 120 120 GLU N N 15 122.018 0.3 . 1 . . . . . 120 GLU N . 50353 1 1386 . 1 . 1 121 121 MET H H 1 8.327 0.03 . 1 . . . . . 121 MET H . 50353 1 1387 . 1 . 1 121 121 MET HA H 1 4.474 0.03 . 1 . . . . . 121 MET HA . 50353 1 1388 . 1 . 1 121 121 MET HB2 H 1 1.993 0.03 . 2 . . . . . 121 MET HB2 . 50353 1 1389 . 1 . 1 121 121 MET HB3 H 1 1.776 0.03 . 2 . . . . . 121 MET HB3 . 50353 1 1390 . 1 . 1 121 121 MET HG2 H 1 2.273 0.03 . 2 . . . . . 121 MET HG2 . 50353 1 1391 . 1 . 1 121 121 MET HG3 H 1 2.384 0.03 . 2 . . . . . 121 MET HG3 . 50353 1 1392 . 1 . 1 121 121 MET C C 13 178.242 0.3 . 1 . . . . . 121 MET C . 50353 1 1393 . 1 . 1 121 121 MET CA C 13 56.446 0.3 . 1 . . . . . 121 MET CA . 50353 1 1394 . 1 . 1 121 121 MET CB C 13 30.92 0.3 . 1 . . . . . 121 MET CB . 50353 1 1395 . 1 . 1 121 121 MET CG C 13 32.708 0.3 . 1 . . . . . 121 MET CG . 50353 1 1396 . 1 . 1 121 121 MET N N 15 118.775 0.3 . 1 . . . . . 121 MET N . 50353 1 1397 . 1 . 1 122 122 ARG H H 1 8.785 0.03 . 1 . . . . . 122 ARG H . 50353 1 1398 . 1 . 1 122 122 ARG HA H 1 3.726 0.03 . 1 . . . . . 122 ARG HA . 50353 1 1399 . 1 . 1 122 122 ARG HB2 H 1 2.023 0.03 . 2 . . . . . 122 ARG HB2 . 50353 1 1400 . 1 . 1 122 122 ARG HB3 H 1 1.928 0.03 . 2 . . . . . 122 ARG HB3 . 50353 1 1401 . 1 . 1 122 122 ARG HG2 H 1 1.602 0.03 . 2 . . . . . 122 ARG HG2 . 50353 1 1402 . 1 . 1 122 122 ARG HG3 H 1 1.689 0.03 . 2 . . . . . 122 ARG HG3 . 50353 1 1403 . 1 . 1 122 122 ARG HD2 H 1 3.252 0.03 . 1 . . . . . 122 ARG HD2 . 50353 1 1404 . 1 . 1 122 122 ARG HD3 H 1 3.252 0.03 . 1 . . . . . 122 ARG HD3 . 50353 1 1405 . 1 . 1 122 122 ARG C C 13 178.952 0.3 . 1 . . . . . 122 ARG C . 50353 1 1406 . 1 . 1 122 122 ARG CA C 13 60.461 0.3 . 1 . . . . . 122 ARG CA . 50353 1 1407 . 1 . 1 122 122 ARG CB C 13 29.983 0.3 . 1 . . . . . 122 ARG CB . 50353 1 1408 . 1 . 1 122 122 ARG CG C 13 27.435 0.3 . 1 . . . . . 122 ARG CG . 50353 1 1409 . 1 . 1 122 122 ARG CD C 13 43.458 0.3 . 1 . . . . . 122 ARG CD . 50353 1 1410 . 1 . 1 122 122 ARG N N 15 119.745 0.3 . 1 . . . . . 122 ARG N . 50353 1 1411 . 1 . 1 123 123 SER H H 1 7.894 0.03 . 1 . . . . . 123 SER H . 50353 1 1412 . 1 . 1 123 123 SER HA H 1 4.211 0.03 . 1 . . . . . 123 SER HA . 50353 1 1413 . 1 . 1 123 123 SER HB2 H 1 4.019 0.03 . 1 . . . . . 123 SER HB2 . 50353 1 1414 . 1 . 1 123 123 SER HB3 H 1 4.019 0.03 . 1 . . . . . 123 SER HB3 . 50353 1 1415 . 1 . 1 123 123 SER C C 13 176.709 0.3 . 1 . . . . . 123 SER C . 50353 1 1416 . 1 . 1 123 123 SER CA C 13 61.914 0.3 . 1 . . . . . 123 SER CA . 50353 1 1417 . 1 . 1 123 123 SER CB C 13 62.773 0.3 . 1 . . . . . 123 SER CB . 50353 1 1418 . 1 . 1 123 123 SER N N 15 114.867 0.3 . 1 . . . . . 123 SER N . 50353 1 1419 . 1 . 1 124 124 LEU H H 1 8.402 0.03 . 1 . . . . . 124 LEU H . 50353 1 1420 . 1 . 1 124 124 LEU HA H 1 4.152 0.03 . 1 . . . . . 124 LEU HA . 50353 1 1421 . 1 . 1 124 124 LEU HB2 H 1 1.954 0.03 . 2 . . . . . 124 LEU HB2 . 50353 1 1422 . 1 . 1 124 124 LEU HB3 H 1 1.43 0.03 . 2 . . . . . 124 LEU HB3 . 50353 1 1423 . 1 . 1 124 124 LEU HG H 1 1.832 0.03 . 1 . . . . . 124 LEU HG . 50353 1 1424 . 1 . 1 124 124 LEU HD11 H 1 0.893 0.03 . 2 . . . . . 124 LEU HD11 . 50353 1 1425 . 1 . 1 124 124 LEU HD12 H 1 0.893 0.03 . 2 . . . . . 124 LEU HD12 . 50353 1 1426 . 1 . 1 124 124 LEU HD13 H 1 0.893 0.03 . 2 . . . . . 124 LEU HD13 . 50353 1 1427 . 1 . 1 124 124 LEU HD21 H 1 0.878 0.03 . 2 . . . . . 124 LEU HD21 . 50353 1 1428 . 1 . 1 124 124 LEU HD22 H 1 0.878 0.03 . 2 . . . . . 124 LEU HD22 . 50353 1 1429 . 1 . 1 124 124 LEU HD23 H 1 0.878 0.03 . 2 . . . . . 124 LEU HD23 . 50353 1 1430 . 1 . 1 124 124 LEU C C 13 178.931 0.3 . 1 . . . . . 124 LEU C . 50353 1 1431 . 1 . 1 124 124 LEU CA C 13 58.188 0.3 . 1 . . . . . 124 LEU CA . 50353 1 1432 . 1 . 1 124 124 LEU CB C 13 42.889 0.3 . 1 . . . . . 124 LEU CB . 50353 1 1433 . 1 . 1 124 124 LEU CG C 13 26.792 0.3 . 1 . . . . . 124 LEU CG . 50353 1 1434 . 1 . 1 124 124 LEU CD1 C 13 24.998 0.3 . 2 . . . . . 124 LEU CD1 . 50353 1 1435 . 1 . 1 124 124 LEU CD2 C 13 23.46 0.3 . 2 . . . . . 124 LEU CD2 . 50353 1 1436 . 1 . 1 124 124 LEU N N 15 122.914 0.3 . 1 . . . . . 124 LEU N . 50353 1 1437 . 1 . 1 125 125 ILE H H 1 8.683 0.03 . 1 . . . . . 125 ILE H . 50353 1 1438 . 1 . 1 125 125 ILE HA H 1 3.524 0.03 . 1 . . . . . 125 ILE HA . 50353 1 1439 . 1 . 1 125 125 ILE HB H 1 1.855 0.03 . 1 . . . . . 125 ILE HB . 50353 1 1440 . 1 . 1 125 125 ILE HG12 H 1 1.148 0.03 . 2 . . . . . 125 ILE HG12 . 50353 1 1441 . 1 . 1 125 125 ILE HG13 H 1 2.022 0.03 . 2 . . . . . 125 ILE HG13 . 50353 1 1442 . 1 . 1 125 125 ILE HG21 H 1 0.82 0.03 . 1 . . . . . 125 ILE HG21 . 50353 1 1443 . 1 . 1 125 125 ILE HG22 H 1 0.82 0.03 . 1 . . . . . 125 ILE HG22 . 50353 1 1444 . 1 . 1 125 125 ILE HG23 H 1 0.82 0.03 . 1 . . . . . 125 ILE HG23 . 50353 1 1445 . 1 . 1 125 125 ILE HD11 H 1 0.832 0.03 . 1 . . . . . 125 ILE HD11 . 50353 1 1446 . 1 . 1 125 125 ILE HD12 H 1 0.832 0.03 . 1 . . . . . 125 ILE HD12 . 50353 1 1447 . 1 . 1 125 125 ILE HD13 H 1 0.832 0.03 . 1 . . . . . 125 ILE HD13 . 50353 1 1448 . 1 . 1 125 125 ILE C C 13 178.707 0.3 . 1 . . . . . 125 ILE C . 50353 1 1449 . 1 . 1 125 125 ILE CA C 13 66.171 0.3 . 1 . . . . . 125 ILE CA . 50353 1 1450 . 1 . 1 125 125 ILE CB C 13 38.195 0.3 . 1 . . . . . 125 ILE CB . 50353 1 1451 . 1 . 1 125 125 ILE CG1 C 13 30.012 0.3 . 1 . . . . . 125 ILE CG1 . 50353 1 1452 . 1 . 1 125 125 ILE CG2 C 13 16.407 0.3 . 1 . . . . . 125 ILE CG2 . 50353 1 1453 . 1 . 1 125 125 ILE CD1 C 13 14.06 0.3 . 1 . . . . . 125 ILE CD1 . 50353 1 1454 . 1 . 1 125 125 ILE N N 15 117.982 0.3 . 1 . . . . . 125 ILE N . 50353 1 1455 . 1 . 1 126 126 SER H H 1 8.086 0.03 . 1 . . . . . 126 SER H . 50353 1 1456 . 1 . 1 126 126 SER HA H 1 4.214 0.03 . 1 . . . . . 126 SER HA . 50353 1 1457 . 1 . 1 126 126 SER HB2 H 1 4.046 0.03 . 2 . . . . . 126 SER HB2 . 50353 1 1458 . 1 . 1 126 126 SER HB3 H 1 3.995 0.03 . 2 . . . . . 126 SER HB3 . 50353 1 1459 . 1 . 1 126 126 SER C C 13 176.208 0.3 . 1 . . . . . 126 SER C . 50353 1 1460 . 1 . 1 126 126 SER CA C 13 61.931 0.3 . 1 . . . . . 126 SER CA . 50353 1 1461 . 1 . 1 126 126 SER CB C 13 62.803 0.3 . 1 . . . . . 126 SER CB . 50353 1 1462 . 1 . 1 126 126 SER N N 15 115.273 0.3 . 1 . . . . . 126 SER N . 50353 1 1463 . 1 . 1 127 127 MET H H 1 8.146 0.03 . 1 . . . . . 127 MET H . 50353 1 1464 . 1 . 1 127 127 MET HA H 1 4.186 0.03 . 1 . . . . . 127 MET HA . 50353 1 1465 . 1 . 1 127 127 MET HB2 H 1 2.254 0.03 . 2 . . . . . 127 MET HB2 . 50353 1 1466 . 1 . 1 127 127 MET HB3 H 1 1.964 0.03 . 2 . . . . . 127 MET HB3 . 50353 1 1467 . 1 . 1 127 127 MET HG2 H 1 2.696 0.03 . 2 . . . . . 127 MET HG2 . 50353 1 1468 . 1 . 1 127 127 MET HG3 H 1 2.527 0.03 . 2 . . . . . 127 MET HG3 . 50353 1 1469 . 1 . 1 127 127 MET C C 13 178.752 0.3 . 1 . . . . . 127 MET C . 50353 1 1470 . 1 . 1 127 127 MET CA C 13 58.691 0.3 . 1 . . . . . 127 MET CA . 50353 1 1471 . 1 . 1 127 127 MET CB C 13 32.915 0.3 . 1 . . . . . 127 MET CB . 50353 1 1472 . 1 . 1 127 127 MET CG C 13 31.732 0.3 . 1 . . . . . 127 MET CG . 50353 1 1473 . 1 . 1 127 127 MET N N 15 121.786 0.3 . 1 . . . . . 127 MET N . 50353 1 1474 . 1 . 1 128 128 ILE H H 1 8.378 0.03 . 1 . . . . . 128 ILE H . 50353 1 1475 . 1 . 1 128 128 ILE HA H 1 3.781 0.03 . 1 . . . . . 128 ILE HA . 50353 1 1476 . 1 . 1 128 128 ILE HB H 1 1.684 0.03 . 1 . . . . . 128 ILE HB . 50353 1 1477 . 1 . 1 128 128 ILE HG12 H 1 1.762 0.03 . 2 . . . . . 128 ILE HG12 . 50353 1 1478 . 1 . 1 128 128 ILE HG13 H 1 1.093 0.03 . 2 . . . . . 128 ILE HG13 . 50353 1 1479 . 1 . 1 128 128 ILE HG21 H 1 0.886 0.03 . 1 . . . . . 128 ILE HG21 . 50353 1 1480 . 1 . 1 128 128 ILE HG22 H 1 0.886 0.03 . 1 . . . . . 128 ILE HG22 . 50353 1 1481 . 1 . 1 128 128 ILE HG23 H 1 0.886 0.03 . 1 . . . . . 128 ILE HG23 . 50353 1 1482 . 1 . 1 128 128 ILE HD11 H 1 0.765 0.03 . 1 . . . . . 128 ILE HD11 . 50353 1 1483 . 1 . 1 128 128 ILE HD12 H 1 0.765 0.03 . 1 . . . . . 128 ILE HD12 . 50353 1 1484 . 1 . 1 128 128 ILE HD13 H 1 0.765 0.03 . 1 . . . . . 128 ILE HD13 . 50353 1 1485 . 1 . 1 128 128 ILE C C 13 178.715 0.3 . 1 . . . . . 128 ILE C . 50353 1 1486 . 1 . 1 128 128 ILE CA C 13 64.443 0.3 . 1 . . . . . 128 ILE CA . 50353 1 1487 . 1 . 1 128 128 ILE CB C 13 38.702 0.3 . 1 . . . . . 128 ILE CB . 50353 1 1488 . 1 . 1 128 128 ILE CG1 C 13 28.74 0.3 . 1 . . . . . 128 ILE CG1 . 50353 1 1489 . 1 . 1 128 128 ILE CG2 C 13 17.991 0.3 . 1 . . . . . 128 ILE CG2 . 50353 1 1490 . 1 . 1 128 128 ILE CD1 C 13 14.277 0.3 . 1 . . . . . 128 ILE CD1 . 50353 1 1491 . 1 . 1 128 128 ILE N N 15 120.726 0.3 . 1 . . . . . 128 ILE N . 50353 1 1492 . 1 . 1 129 129 SER H H 1 8.273 0.03 . 1 . . . . . 129 SER H . 50353 1 1493 . 1 . 1 129 129 SER HA H 1 4.263 0.03 . 1 . . . . . 129 SER HA . 50353 1 1494 . 1 . 1 129 129 SER HB2 H 1 4.019 0.03 . 1 . . . . . 129 SER HB2 . 50353 1 1495 . 1 . 1 129 129 SER HB3 H 1 4.019 0.03 . 1 . . . . . 129 SER HB3 . 50353 1 1496 . 1 . 1 129 129 SER C C 13 175.805 0.3 . 1 . . . . . 129 SER C . 50353 1 1497 . 1 . 1 129 129 SER CA C 13 60.698 0.3 . 1 . . . . . 129 SER CA . 50353 1 1498 . 1 . 1 129 129 SER CB C 13 62.704 0.3 . 1 . . . . . 129 SER CB . 50353 1 1499 . 1 . 1 129 129 SER N N 15 115.352 0.3 . 1 . . . . . 129 SER N . 50353 1 1500 . 1 . 1 130 130 ALA H H 1 7.79 0.03 . 1 . . . . . 130 ALA H . 50353 1 1501 . 1 . 1 130 130 ALA HA H 1 4.29 0.03 . 1 . . . . . 130 ALA HA . 50353 1 1502 . 1 . 1 130 130 ALA HB1 H 1 1.479 0.03 . 1 . . . . . 130 ALA HB1 . 50353 1 1503 . 1 . 1 130 130 ALA HB2 H 1 1.479 0.03 . 1 . . . . . 130 ALA HB2 . 50353 1 1504 . 1 . 1 130 130 ALA HB3 H 1 1.479 0.03 . 1 . . . . . 130 ALA HB3 . 50353 1 1505 . 1 . 1 130 130 ALA C C 13 178.594 0.3 . 1 . . . . . 130 ALA C . 50353 1 1506 . 1 . 1 130 130 ALA CA C 13 53.203 0.3 . 1 . . . . . 130 ALA CA . 50353 1 1507 . 1 . 1 130 130 ALA CB C 13 18.476 0.3 . 1 . . . . . 130 ALA CB . 50353 1 1508 . 1 . 1 130 130 ALA N N 15 123.622 0.3 . 1 . . . . . 130 ALA N . 50353 1 1509 . 1 . 1 131 131 ALA H H 1 7.769 0.03 . 1 . . . . . 131 ALA H . 50353 1 1510 . 1 . 1 131 131 ALA HA H 1 4.256 0.03 . 1 . . . . . 131 ALA HA . 50353 1 1511 . 1 . 1 131 131 ALA HB1 H 1 1.481 0.03 . 1 . . . . . 131 ALA HB1 . 50353 1 1512 . 1 . 1 131 131 ALA HB2 H 1 1.481 0.03 . 1 . . . . . 131 ALA HB2 . 50353 1 1513 . 1 . 1 131 131 ALA HB3 H 1 1.481 0.03 . 1 . . . . . 131 ALA HB3 . 50353 1 1514 . 1 . 1 131 131 ALA C C 13 178.71 0.3 . 1 . . . . . 131 ALA C . 50353 1 1515 . 1 . 1 131 131 ALA CA C 13 53.453 0.3 . 1 . . . . . 131 ALA CA . 50353 1 1516 . 1 . 1 131 131 ALA CB C 13 18.791 0.3 . 1 . . . . . 131 ALA CB . 50353 1 1517 . 1 . 1 131 131 ALA N N 15 120.953 0.3 . 1 . . . . . 131 ALA N . 50353 1 1518 . 1 . 1 132 132 SER H H 1 7.998 0.03 . 1 . . . . . 132 SER H . 50353 1 1519 . 1 . 1 132 132 SER HA H 1 4.413 0.03 . 1 . . . . . 132 SER HA . 50353 1 1520 . 1 . 1 132 132 SER HB2 H 1 3.93 0.03 . 1 . . . . . 132 SER HB2 . 50353 1 1521 . 1 . 1 132 132 SER HB3 H 1 3.93 0.03 . 1 . . . . . 132 SER HB3 . 50353 1 1522 . 1 . 1 132 132 SER C C 13 174.725 0.3 . 1 . . . . . 132 SER C . 50353 1 1523 . 1 . 1 132 132 SER CA C 13 59.03 0.3 . 1 . . . . . 132 SER CA . 50353 1 1524 . 1 . 1 132 132 SER CB C 13 63.738 0.3 . 1 . . . . . 132 SER CB . 50353 1 1525 . 1 . 1 132 132 SER N N 15 113.779 0.3 . 1 . . . . . 132 SER N . 50353 1 1526 . 1 . 1 133 133 ALA H H 1 7.978 0.03 . 1 . . . . . 133 ALA H . 50353 1 1527 . 1 . 1 133 133 ALA HA H 1 4.335 0.03 . 1 . . . . . 133 ALA HA . 50353 1 1528 . 1 . 1 133 133 ALA HB1 H 1 1.438 0.03 . 1 . . . . . 133 ALA HB1 . 50353 1 1529 . 1 . 1 133 133 ALA HB2 H 1 1.438 0.03 . 1 . . . . . 133 ALA HB2 . 50353 1 1530 . 1 . 1 133 133 ALA HB3 H 1 1.438 0.03 . 1 . . . . . 133 ALA HB3 . 50353 1 1531 . 1 . 1 133 133 ALA C C 13 177.52 0.3 . 1 . . . . . 133 ALA C . 50353 1 1532 . 1 . 1 133 133 ALA CA C 13 52.78 0.3 . 1 . . . . . 133 ALA CA . 50353 1 1533 . 1 . 1 133 133 ALA CB C 13 19.079 0.3 . 1 . . . . . 133 ALA CB . 50353 1 1534 . 1 . 1 133 133 ALA N N 15 124.625 0.3 . 1 . . . . . 133 ALA N . 50353 1 1535 . 1 . 1 134 134 ASN H H 1 8.169 0.03 . 1 . . . . . 134 ASN H . 50353 1 1536 . 1 . 1 134 134 ASN HA H 1 4.737 0.03 . 1 . . . . . 134 ASN HA . 50353 1 1537 . 1 . 1 134 134 ASN HB2 H 1 2.862 0.03 . 2 . . . . . 134 ASN HB2 . 50353 1 1538 . 1 . 1 134 134 ASN HB3 H 1 2.962 0.03 . 2 . . . . . 134 ASN HB3 . 50353 1 1539 . 1 . 1 134 134 ASN HD21 H 1 6.896 0.03 . 2 . . . . . 134 ASN HD21 . 50353 1 1540 . 1 . 1 134 134 ASN HD22 H 1 7.519 0.03 . 2 . . . . . 134 ASN HD22 . 50353 1 1541 . 1 . 1 134 134 ASN C C 13 175.037 0.3 . 1 . . . . . 134 ASN C . 50353 1 1542 . 1 . 1 134 134 ASN CA C 13 53.439 0.3 . 1 . . . . . 134 ASN CA . 50353 1 1543 . 1 . 1 134 134 ASN CB C 13 39.194 0.3 . 1 . . . . . 134 ASN CB . 50353 1 1544 . 1 . 1 134 134 ASN N N 15 117.062 0.3 . 1 . . . . . 134 ASN N . 50353 1 1545 . 1 . 1 134 134 ASN ND2 N 15 112.177 0.3 . 1 . . . . . 134 ASN ND2 . 50353 1 1546 . 1 . 1 135 135 GLU H H 1 8.214 0.03 . 1 . . . . . 135 GLU H . 50353 1 1547 . 1 . 1 135 135 GLU HA H 1 4.309 0.03 . 1 . . . . . 135 GLU HA . 50353 1 1548 . 1 . 1 135 135 GLU HB2 H 1 2.059 0.03 . 1 . . . . . 135 GLU HB2 . 50353 1 1549 . 1 . 1 135 135 GLU HB3 H 1 2.059 0.03 . 1 . . . . . 135 GLU HB3 . 50353 1 1550 . 1 . 1 135 135 GLU HG2 H 1 2.239 0.03 . 1 . . . . . 135 GLU HG2 . 50353 1 1551 . 1 . 1 135 135 GLU HG3 H 1 2.239 0.03 . 1 . . . . . 135 GLU HG3 . 50353 1 1552 . 1 . 1 135 135 GLU C C 13 176.201 0.3 . 1 . . . . . 135 GLU C . 50353 1 1553 . 1 . 1 135 135 GLU CA C 13 56.676 0.3 . 1 . . . . . 135 GLU CA . 50353 1 1554 . 1 . 1 135 135 GLU CB C 13 30.158 0.3 . 1 . . . . . 135 GLU CB . 50353 1 1555 . 1 . 1 135 135 GLU CG C 13 36.424 0.3 . 1 . . . . . 135 GLU CG . 50353 1 1556 . 1 . 1 135 135 GLU CD C 13 184.075 0.3 . 1 . . . . . 135 GLU CD . 50353 1 1557 . 1 . 1 135 135 GLU N N 15 120.898 0.3 . 1 . . . . . 135 GLU N . 50353 1 1558 . 1 . 1 136 136 VAL H H 1 8.098 0.03 . 1 . . . . . 136 VAL H . 50353 1 1559 . 1 . 1 136 136 VAL HA H 1 4.128 0.03 . 1 . . . . . 136 VAL HA . 50353 1 1560 . 1 . 1 136 136 VAL HB H 1 1.974 0.03 . 1 . . . . . 136 VAL HB . 50353 1 1561 . 1 . 1 136 136 VAL HG11 H 1 0.874 0.03 . 2 . . . . . 136 VAL HG11 . 50353 1 1562 . 1 . 1 136 136 VAL HG12 H 1 0.874 0.03 . 2 . . . . . 136 VAL HG12 . 50353 1 1563 . 1 . 1 136 136 VAL HG13 H 1 0.874 0.03 . 2 . . . . . 136 VAL HG13 . 50353 1 1564 . 1 . 1 136 136 VAL HG21 H 1 0.822 0.03 . 2 . . . . . 136 VAL HG21 . 50353 1 1565 . 1 . 1 136 136 VAL HG22 H 1 0.822 0.03 . 2 . . . . . 136 VAL HG22 . 50353 1 1566 . 1 . 1 136 136 VAL HG23 H 1 0.822 0.03 . 2 . . . . . 136 VAL HG23 . 50353 1 1567 . 1 . 1 136 136 VAL C C 13 175.685 0.3 . 1 . . . . . 136 VAL C . 50353 1 1568 . 1 . 1 136 136 VAL CA C 13 62.708 0.3 . 1 . . . . . 136 VAL CA . 50353 1 1569 . 1 . 1 136 136 VAL CB C 13 32.692 0.3 . 1 . . . . . 136 VAL CB . 50353 1 1570 . 1 . 1 136 136 VAL CG1 C 13 20.447 0.3 . 2 . . . . . 136 VAL CG1 . 50353 1 1571 . 1 . 1 136 136 VAL CG2 C 13 21.169 0.3 . 2 . . . . . 136 VAL CG2 . 50353 1 1572 . 1 . 1 136 136 VAL N N 15 120.99 0.3 . 1 . . . . . 136 VAL N . 50353 1 1573 . 1 . 1 137 137 SER H H 1 8.201 0.03 . 1 . . . . . 137 SER H . 50353 1 1574 . 1 . 1 137 137 SER HA H 1 4.477 0.03 . 1 . . . . . 137 SER HA . 50353 1 1575 . 1 . 1 137 137 SER HB2 H 1 3.903 0.03 . 1 . . . . . 137 SER HB2 . 50353 1 1576 . 1 . 1 137 137 SER HB3 H 1 3.903 0.03 . 1 . . . . . 137 SER HB3 . 50353 1 1577 . 1 . 1 137 137 SER C C 13 172.969 0.3 . 1 . . . . . 137 SER C . 50353 1 1578 . 1 . 1 137 137 SER CA C 13 58.264 0.3 . 1 . . . . . 137 SER CA . 50353 1 1579 . 1 . 1 137 137 SER CB C 13 63.401 0.3 . 1 . . . . . 137 SER CB . 50353 1 1580 . 1 . 1 137 137 SER N N 15 119.864 0.3 . 1 . . . . . 137 SER N . 50353 1 1581 . 1 . 1 138 138 TYR H H 1 7.75 0.03 . 1 . . . . . 138 TYR H . 50353 1 1582 . 1 . 1 138 138 TYR HA H 1 4.461 0.03 . 1 . . . . . 138 TYR HA . 50353 1 1583 . 1 . 1 138 138 TYR HB2 H 1 2.876 0.03 . 2 . . . . . 138 TYR HB2 . 50353 1 1584 . 1 . 1 138 138 TYR HB3 H 1 3.062 0.03 . 2 . . . . . 138 TYR HB3 . 50353 1 1585 . 1 . 1 138 138 TYR HD1 H 1 7.096 0.03 . 1 . . . . . 138 TYR HD1 . 50353 1 1586 . 1 . 1 138 138 TYR HD2 H 1 7.096 0.03 . 1 . . . . . 138 TYR HD2 . 50353 1 1587 . 1 . 1 138 138 TYR HE1 H 1 6.799 0.03 . 1 . . . . . 138 TYR HE1 . 50353 1 1588 . 1 . 1 138 138 TYR HE2 H 1 6.799 0.03 . 1 . . . . . 138 TYR HE2 . 50353 1 1589 . 1 . 1 138 138 TYR C C 13 180.422 0.3 . 1 . . . . . 138 TYR C . 50353 1 1590 . 1 . 1 138 138 TYR CA C 13 59.249 0.3 . 1 . . . . . 138 TYR CA . 50353 1 1591 . 1 . 1 138 138 TYR CB C 13 39.492 0.3 . 1 . . . . . 138 TYR CB . 50353 1 1592 . 1 . 1 138 138 TYR CG C 13 131.79 0.3 . 1 . . . . . 138 TYR CG . 50353 1 1593 . 1 . 1 138 138 TYR CD1 C 13 133.377 0.3 . 1 . . . . . 138 TYR CD1 . 50353 1 1594 . 1 . 1 138 138 TYR CD2 C 13 133.377 0.3 . 1 . . . . . 138 TYR CD2 . 50353 1 1595 . 1 . 1 138 138 TYR CE1 C 13 118.197 0.3 . 1 . . . . . 138 TYR CE1 . 50353 1 1596 . 1 . 1 138 138 TYR CE2 C 13 118.197 0.3 . 1 . . . . . 138 TYR CE2 . 50353 1 1597 . 1 . 1 138 138 TYR N N 15 127.225 0.3 . 1 . . . . . 138 TYR N . 50353 1 stop_ save_