data_27591 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27591 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for BM11596 strain of P[6] VP8* rotavirus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-08-24 _Entry.Accession_date 2018-08-24 _Entry.Last_release_date 2018-08-24 _Entry.Original_release_date 2018-08-24 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _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 . _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 Xi Jiang . . . . 27591 2 Yang Liu . . . . 27591 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Miami University' . 27591 2 . "Cincinnati Children's Hospital Medical Center" . 27591 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27591 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 460 27591 '15N chemical shifts' 144 27591 '1H chemical shifts' 145 27591 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 3 . . 2020-08-20 2018-08-24 update BMRB 'update entry citation' 27591 2 . . 2020-03-30 2018-08-24 update BMRB 'update entry citation' 27591 1 . . 2020-03-10 2018-08-24 original author 'original release' 27591 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27592 'BM13851 strain of P[8] VP8* rotavirus' 27591 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27591 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32208455 _Citation.DOI 10.1371/journal.ppat.1008386 _Citation.Full_citation . _Citation.Title ; Molecular basis of P[II] major human rotavirus VP8* domain recognition of histo-blood group antigens ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLOS Pathogens' _Citation.Journal_name_full . _Citation.Journal_volume 16 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1553-7374 _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 e1008386 _Citation.Page_last e1008386 _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 Shenyuan Xu . . . . 27591 1 2 Luay Ahmed . U. . . 27591 1 3 Michael Stuckert . R. . . 27591 1 4 Kristen McGinnis . R. . . 27591 1 5 Yang Liu . . . . 27591 1 6 Ming Tan . . . . 27591 1 7 Pengwei Huang . . . . 27591 1 8 Weiming Zhong . . . . 27591 1 9 Dandan Zhao . . . . 27591 1 10 Xi Jiang . . . . 27591 1 11 Michael Kennedy . A. . . 27591 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Backbone assignment' 27591 1 'P[6] VP8*' 27591 1 Rotavirus 27591 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27591 _Assembly.ID 1 _Assembly.Name 'BM11596 strain of P[6] VP8* rotavirus' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 18669 _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 'BM11596 strain of P[6] VP8* rotavirus' 1 $BM11596 A . yes native no no . . . 27591 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BM11596 _Entity.Sf_category entity _Entity.Sf_framecode BM11596 _Entity.Entry_ID 27591 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BM11596 _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 ; GSVLDGPYQPTNFKPPNDYW ILLNPTNQQVVLEGTNKTDI WVALLLVEPNVTNQSRQYTL FGETKQITVENNTNKWKFFE MFRSNVSAEFQHKRTLTSDT KLAGFMKFYNSVWTFHGETP HATTDYSSTSNLSEVETVIH VEFYIIPRSQESKCSEYINT GL ; _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 162 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'rotavirus penetration' 27591 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 27591 1 2 . SER . 27591 1 3 . VAL . 27591 1 4 . LEU . 27591 1 5 . ASP . 27591 1 6 . GLY . 27591 1 7 . PRO . 27591 1 8 . TYR . 27591 1 9 . GLN . 27591 1 10 . PRO . 27591 1 11 . THR . 27591 1 12 . ASN . 27591 1 13 . PHE . 27591 1 14 . LYS . 27591 1 15 . PRO . 27591 1 16 . PRO . 27591 1 17 . ASN . 27591 1 18 . ASP . 27591 1 19 . TYR . 27591 1 20 . TRP . 27591 1 21 . ILE . 27591 1 22 . LEU . 27591 1 23 . LEU . 27591 1 24 . ASN . 27591 1 25 . PRO . 27591 1 26 . THR . 27591 1 27 . ASN . 27591 1 28 . GLN . 27591 1 29 . GLN . 27591 1 30 . VAL . 27591 1 31 . VAL . 27591 1 32 . LEU . 27591 1 33 . GLU . 27591 1 34 . GLY . 27591 1 35 . THR . 27591 1 36 . ASN . 27591 1 37 . LYS . 27591 1 38 . THR . 27591 1 39 . ASP . 27591 1 40 . ILE . 27591 1 41 . TRP . 27591 1 42 . VAL . 27591 1 43 . ALA . 27591 1 44 . LEU . 27591 1 45 . LEU . 27591 1 46 . LEU . 27591 1 47 . VAL . 27591 1 48 . GLU . 27591 1 49 . PRO . 27591 1 50 . ASN . 27591 1 51 . VAL . 27591 1 52 . THR . 27591 1 53 . ASN . 27591 1 54 . GLN . 27591 1 55 . SER . 27591 1 56 . ARG . 27591 1 57 . GLN . 27591 1 58 . TYR . 27591 1 59 . THR . 27591 1 60 . LEU . 27591 1 61 . PHE . 27591 1 62 . GLY . 27591 1 63 . GLU . 27591 1 64 . THR . 27591 1 65 . LYS . 27591 1 66 . GLN . 27591 1 67 . ILE . 27591 1 68 . THR . 27591 1 69 . VAL . 27591 1 70 . GLU . 27591 1 71 . ASN . 27591 1 72 . ASN . 27591 1 73 . THR . 27591 1 74 . ASN . 27591 1 75 . LYS . 27591 1 76 . TRP . 27591 1 77 . LYS . 27591 1 78 . PHE . 27591 1 79 . PHE . 27591 1 80 . GLU . 27591 1 81 . MET . 27591 1 82 . PHE . 27591 1 83 . ARG . 27591 1 84 . SER . 27591 1 85 . ASN . 27591 1 86 . VAL . 27591 1 87 . SER . 27591 1 88 . ALA . 27591 1 89 . GLU . 27591 1 90 . PHE . 27591 1 91 . GLN . 27591 1 92 . HIS . 27591 1 93 . LYS . 27591 1 94 . ARG . 27591 1 95 . THR . 27591 1 96 . LEU . 27591 1 97 . THR . 27591 1 98 . SER . 27591 1 99 . ASP . 27591 1 100 . THR . 27591 1 101 . LYS . 27591 1 102 . LEU . 27591 1 103 . ALA . 27591 1 104 . GLY . 27591 1 105 . PHE . 27591 1 106 . MET . 27591 1 107 . LYS . 27591 1 108 . PHE . 27591 1 109 . TYR . 27591 1 110 . ASN . 27591 1 111 . SER . 27591 1 112 . VAL . 27591 1 113 . TRP . 27591 1 114 . THR . 27591 1 115 . PHE . 27591 1 116 . HIS . 27591 1 117 . GLY . 27591 1 118 . GLU . 27591 1 119 . THR . 27591 1 120 . PRO . 27591 1 121 . HIS . 27591 1 122 . ALA . 27591 1 123 . THR . 27591 1 124 . THR . 27591 1 125 . ASP . 27591 1 126 . TYR . 27591 1 127 . SER . 27591 1 128 . SER . 27591 1 129 . THR . 27591 1 130 . SER . 27591 1 131 . ASN . 27591 1 132 . LEU . 27591 1 133 . SER . 27591 1 134 . GLU . 27591 1 135 . VAL . 27591 1 136 . GLU . 27591 1 137 . THR . 27591 1 138 . VAL . 27591 1 139 . ILE . 27591 1 140 . HIS . 27591 1 141 . VAL . 27591 1 142 . GLU . 27591 1 143 . PHE . 27591 1 144 . TYR . 27591 1 145 . ILE . 27591 1 146 . ILE . 27591 1 147 . PRO . 27591 1 148 . ARG . 27591 1 149 . SER . 27591 1 150 . GLN . 27591 1 151 . GLU . 27591 1 152 . SER . 27591 1 153 . LYS . 27591 1 154 . CYS . 27591 1 155 . SER . 27591 1 156 . GLU . 27591 1 157 . TYR . 27591 1 158 . ILE . 27591 1 159 . ASN . 27591 1 160 . THR . 27591 1 161 . GLY . 27591 1 162 . LEU . 27591 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 27591 1 . SER 2 2 27591 1 . VAL 3 3 27591 1 . LEU 4 4 27591 1 . ASP 5 5 27591 1 . GLY 6 6 27591 1 . PRO 7 7 27591 1 . TYR 8 8 27591 1 . GLN 9 9 27591 1 . PRO 10 10 27591 1 . THR 11 11 27591 1 . ASN 12 12 27591 1 . PHE 13 13 27591 1 . LYS 14 14 27591 1 . PRO 15 15 27591 1 . PRO 16 16 27591 1 . ASN 17 17 27591 1 . ASP 18 18 27591 1 . TYR 19 19 27591 1 . TRP 20 20 27591 1 . ILE 21 21 27591 1 . LEU 22 22 27591 1 . LEU 23 23 27591 1 . ASN 24 24 27591 1 . PRO 25 25 27591 1 . THR 26 26 27591 1 . ASN 27 27 27591 1 . GLN 28 28 27591 1 . GLN 29 29 27591 1 . VAL 30 30 27591 1 . VAL 31 31 27591 1 . LEU 32 32 27591 1 . GLU 33 33 27591 1 . GLY 34 34 27591 1 . THR 35 35 27591 1 . ASN 36 36 27591 1 . LYS 37 37 27591 1 . THR 38 38 27591 1 . ASP 39 39 27591 1 . ILE 40 40 27591 1 . TRP 41 41 27591 1 . VAL 42 42 27591 1 . ALA 43 43 27591 1 . LEU 44 44 27591 1 . LEU 45 45 27591 1 . LEU 46 46 27591 1 . VAL 47 47 27591 1 . GLU 48 48 27591 1 . PRO 49 49 27591 1 . ASN 50 50 27591 1 . VAL 51 51 27591 1 . THR 52 52 27591 1 . ASN 53 53 27591 1 . GLN 54 54 27591 1 . SER 55 55 27591 1 . ARG 56 56 27591 1 . GLN 57 57 27591 1 . TYR 58 58 27591 1 . THR 59 59 27591 1 . LEU 60 60 27591 1 . PHE 61 61 27591 1 . GLY 62 62 27591 1 . GLU 63 63 27591 1 . THR 64 64 27591 1 . LYS 65 65 27591 1 . GLN 66 66 27591 1 . ILE 67 67 27591 1 . THR 68 68 27591 1 . VAL 69 69 27591 1 . GLU 70 70 27591 1 . ASN 71 71 27591 1 . ASN 72 72 27591 1 . THR 73 73 27591 1 . ASN 74 74 27591 1 . LYS 75 75 27591 1 . TRP 76 76 27591 1 . LYS 77 77 27591 1 . PHE 78 78 27591 1 . PHE 79 79 27591 1 . GLU 80 80 27591 1 . MET 81 81 27591 1 . PHE 82 82 27591 1 . ARG 83 83 27591 1 . SER 84 84 27591 1 . ASN 85 85 27591 1 . VAL 86 86 27591 1 . SER 87 87 27591 1 . ALA 88 88 27591 1 . GLU 89 89 27591 1 . PHE 90 90 27591 1 . GLN 91 91 27591 1 . HIS 92 92 27591 1 . LYS 93 93 27591 1 . ARG 94 94 27591 1 . THR 95 95 27591 1 . LEU 96 96 27591 1 . THR 97 97 27591 1 . SER 98 98 27591 1 . ASP 99 99 27591 1 . THR 100 100 27591 1 . LYS 101 101 27591 1 . LEU 102 102 27591 1 . ALA 103 103 27591 1 . GLY 104 104 27591 1 . PHE 105 105 27591 1 . MET 106 106 27591 1 . LYS 107 107 27591 1 . PHE 108 108 27591 1 . TYR 109 109 27591 1 . ASN 110 110 27591 1 . SER 111 111 27591 1 . VAL 112 112 27591 1 . TRP 113 113 27591 1 . THR 114 114 27591 1 . PHE 115 115 27591 1 . HIS 116 116 27591 1 . GLY 117 117 27591 1 . GLU 118 118 27591 1 . THR 119 119 27591 1 . PRO 120 120 27591 1 . HIS 121 121 27591 1 . ALA 122 122 27591 1 . THR 123 123 27591 1 . THR 124 124 27591 1 . ASP 125 125 27591 1 . TYR 126 126 27591 1 . SER 127 127 27591 1 . SER 128 128 27591 1 . THR 129 129 27591 1 . SER 130 130 27591 1 . ASN 131 131 27591 1 . LEU 132 132 27591 1 . SER 133 133 27591 1 . GLU 134 134 27591 1 . VAL 135 135 27591 1 . GLU 136 136 27591 1 . THR 137 137 27591 1 . VAL 138 138 27591 1 . ILE 139 139 27591 1 . HIS 140 140 27591 1 . VAL 141 141 27591 1 . GLU 142 142 27591 1 . PHE 143 143 27591 1 . TYR 144 144 27591 1 . ILE 145 145 27591 1 . ILE 146 146 27591 1 . PRO 147 147 27591 1 . ARG 148 148 27591 1 . SER 149 149 27591 1 . GLN 150 150 27591 1 . GLU 151 151 27591 1 . SER 152 152 27591 1 . LYS 153 153 27591 1 . CYS 154 154 27591 1 . SER 155 155 27591 1 . GLU 156 156 27591 1 . TYR 157 157 27591 1 . ILE 158 158 27591 1 . ASN 159 159 27591 1 . THR 160 160 27591 1 . GLY 161 161 27591 1 . LEU 162 162 27591 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27591 _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 $BM11596 . 10912 organism . Rotavirus Rotavirus . . Viruses . Rotavirus . . . . . . . . . . . . . . 27591 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27591 _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 $BM11596 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . 'pGEX- 4T-1' . . . 27591 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27591 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'P[6] VP8* polypeptide' '[U-100% 13C; U-100% 15N]' . . 1 $BM11596 . . 600 . . uM . . . . 27591 1 2 'sodium chloride' 'natural abundance' . . . . . . 137 . . mM . . . . 27591 1 3 'potassium chloride' 'natural abundance' . . . . . . 2.7 . . mM . . . . 27591 1 4 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 27591 1 5 'potassium phosphate' 'natural abundance' . . . . . . 1.8 . . mM . . . . 27591 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 27591 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 200 . mM 27591 1 pH 7.4 . pH 27591 1 pressure 1 . atm 27591 1 temperature 298 . K 27591 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27591 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27591 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 27591 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27591 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27591 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27591 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27591 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27591 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27591 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 850 . . . 27591 1 2 spectrometer_2 Bruker Avance . 600 . . . 27591 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27591 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27591 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27591 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27591 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27591 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27591 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27591 1 7 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27591 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27591 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 water 'methyl carbon' . . . . ppm 54 internal direct 1.0 . . . . . 27591 1 H 1 water protons . . . . ppm 4.708 internal direct 1.0 . . . . . 27591 1 N 15 water nitrogen . . . . ppm 118 internal direct 1.0 . . . . . 27591 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27591 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27591 1 2 '3D CBCA(CO)NH' . . . 27591 1 3 '3D HNCO' . . . 27591 1 4 '3D HNCA' . . . 27591 1 5 '3D HNCACB' . . . 27591 1 6 '3D HN(CO)CA' . . . 27591 1 7 '3D HCACO' . . . 27591 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRPipe . . 27591 1 2 $SPARKY . . 27591 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 1 1 GLY C C 13 170.455 0.00 . 1 . . . . . 1 GLY C . 27591 1 2 . 1 . 1 1 1 GLY CA C 13 42.801 0.05 . 1 . . . . . 1 GLY CA . 27591 1 3 . 1 . 1 2 2 SER H H 1 7.623 0.01 . 1 . . . . . 2 SER H . 27591 1 4 . 1 . 1 2 2 SER CA C 13 57.836 0.00 . 1 . . . . . 2 SER CA . 27591 1 5 . 1 . 1 2 2 SER N N 15 127.119 0.00 . 1 . . . . . 2 SER N . 27591 1 6 . 1 . 1 3 3 VAL H H 1 7.954 0.00 . 1 . . . . . 3 VAL H . 27591 1 7 . 1 . 1 3 3 VAL C C 13 172.200 0.01 . 1 . . . . . 3 VAL C . 27591 1 8 . 1 . 1 3 3 VAL CA C 13 60.334 0.07 . 1 . . . . . 3 VAL CA . 27591 1 9 . 1 . 1 3 3 VAL CB C 13 29.706 0.03 . 1 . . . . . 3 VAL CB . 27591 1 10 . 1 . 1 3 3 VAL N N 15 120.822 0.00 . 1 . . . . . 3 VAL N . 27591 1 11 . 1 . 1 4 4 LEU H H 1 7.835 0.01 . 1 . . . . . 4 LEU H . 27591 1 12 . 1 . 1 4 4 LEU C C 13 172.978 0.01 . 1 . . . . . 4 LEU C . 27591 1 13 . 1 . 1 4 4 LEU CA C 13 51.974 0.04 . 1 . . . . . 4 LEU CA . 27591 1 14 . 1 . 1 4 4 LEU CB C 13 40.924 0.11 . 1 . . . . . 4 LEU CB . 27591 1 15 . 1 . 1 4 4 LEU N N 15 121.837 0.00 . 1 . . . . . 4 LEU N . 27591 1 16 . 1 . 1 5 5 ASP H H 1 8.533 0.01 . 1 . . . . . 5 ASP H . 27591 1 17 . 1 . 1 5 5 ASP C C 13 172.007 0.01 . 1 . . . . . 5 ASP C . 27591 1 18 . 1 . 1 5 5 ASP CA C 13 51.133 0.04 . 1 . . . . . 5 ASP CA . 27591 1 19 . 1 . 1 5 5 ASP CB C 13 39.118 0.05 . 1 . . . . . 5 ASP CB . 27591 1 20 . 1 . 1 5 5 ASP N N 15 125.395 0.00 . 1 . . . . . 5 ASP N . 27591 1 21 . 1 . 1 6 6 GLY H H 1 7.874 0.01 . 1 . . . . . 6 GLY H . 27591 1 22 . 1 . 1 6 6 GLY C C 13 167.935 0.00 . 1 . . . . . 6 GLY C . 27591 1 23 . 1 . 1 6 6 GLY CA C 13 41.194 0.01 . 1 . . . . . 6 GLY CA . 27591 1 24 . 1 . 1 6 6 GLY N N 15 111.901 0.00 . 1 . . . . . 6 GLY N . 27591 1 25 . 1 . 1 7 7 PRO C C 13 172.699 0.02 . 1 . . . . . 7 PRO C . 27591 1 26 . 1 . 1 7 7 PRO CA C 13 58.865 0.02 . 1 . . . . . 7 PRO CA . 27591 1 27 . 1 . 1 7 7 PRO CB C 13 31.645 0.05 . 1 . . . . . 7 PRO CB . 27591 1 28 . 1 . 1 8 8 TYR H H 1 9.045 0.01 . 1 . . . . . 8 TYR H . 27591 1 29 . 1 . 1 8 8 TYR C C 13 171.646 0.01 . 1 . . . . . 8 TYR C . 27591 1 30 . 1 . 1 8 8 TYR CA C 13 54.046 0.02 . 1 . . . . . 8 TYR CA . 27591 1 31 . 1 . 1 8 8 TYR CB C 13 36.674 0.05 . 1 . . . . . 8 TYR CB . 27591 1 32 . 1 . 1 8 8 TYR N N 15 122.820 0.00 . 1 . . . . . 8 TYR N . 27591 1 33 . 1 . 1 9 9 GLN H H 1 7.843 0.01 . 1 . . . . . 9 GLN H . 27591 1 34 . 1 . 1 9 9 GLN C C 13 169.986 0.00 . 1 . . . . . 9 GLN C . 27591 1 35 . 1 . 1 9 9 GLN CA C 13 50.730 0.01 . 1 . . . . . 9 GLN CA . 27591 1 36 . 1 . 1 9 9 GLN CB C 13 25.323 0.00 . 1 . . . . . 9 GLN CB . 27591 1 37 . 1 . 1 9 9 GLN N N 15 117.094 0.00 . 1 . . . . . 9 GLN N . 27591 1 38 . 1 . 1 10 10 PRO CB C 13 30.848 0.00 . 1 . . . . . 10 PRO CB . 27591 1 39 . 1 . 1 11 11 THR H H 1 9.658 0.00 . 1 . . . . . 11 THR H . 27591 1 40 . 1 . 1 11 11 THR C C 13 173.033 0.00 . 1 . . . . . 11 THR C . 27591 1 41 . 1 . 1 11 11 THR CA C 13 57.898 0.05 . 1 . . . . . 11 THR CA . 27591 1 42 . 1 . 1 11 11 THR CB C 13 59.350 0.03 . 1 . . . . . 11 THR CB . 27591 1 43 . 1 . 1 12 12 ASN H H 1 7.945 0.01 . 1 . . . . . 12 ASN H . 27591 1 44 . 1 . 1 12 12 ASN C C 13 171.498 0.01 . 1 . . . . . 12 ASN C . 27591 1 45 . 1 . 1 12 12 ASN CA C 13 49.013 0.10 . 1 . . . . . 12 ASN CA . 27591 1 46 . 1 . 1 12 12 ASN CB C 13 37.383 0.05 . 1 . . . . . 12 ASN CB . 27591 1 47 . 1 . 1 12 12 ASN N N 15 120.826 0.00 . 1 . . . . . 12 ASN N . 27591 1 48 . 1 . 1 13 13 PHE H H 1 8.828 0.01 . 1 . . . . . 13 PHE H . 27591 1 49 . 1 . 1 13 13 PHE CA C 13 52.656 0.13 . 1 . . . . . 13 PHE CA . 27591 1 50 . 1 . 1 13 13 PHE CB C 13 37.383 0.00 . 1 . . . . . 13 PHE CB . 27591 1 51 . 1 . 1 13 13 PHE N N 15 123.508 0.00 . 1 . . . . . 13 PHE N . 27591 1 52 . 1 . 1 16 16 PRO C C 13 173.390 0.01 . 1 . . . . . 16 PRO C . 27591 1 53 . 1 . 1 16 16 PRO CA C 13 59.164 0.06 . 1 . . . . . 16 PRO CA . 27591 1 54 . 1 . 1 16 16 PRO CB C 13 28.883 0.05 . 1 . . . . . 16 PRO CB . 27591 1 55 . 1 . 1 17 17 ASN H H 1 8.500 0.01 . 1 . . . . . 17 ASN H . 27591 1 56 . 1 . 1 17 17 ASN C C 13 173.847 0.01 . 1 . . . . . 17 ASN C . 27591 1 57 . 1 . 1 17 17 ASN CA C 13 50.766 0.05 . 1 . . . . . 17 ASN CA . 27591 1 58 . 1 . 1 17 17 ASN CB C 13 34.647 0.03 . 1 . . . . . 17 ASN CB . 27591 1 59 . 1 . 1 17 17 ASN N N 15 120.238 0.01 . 1 . . . . . 17 ASN N . 27591 1 60 . 1 . 1 18 18 ASP H H 1 9.285 0.01 . 1 . . . . . 18 ASP H . 27591 1 61 . 1 . 1 18 18 ASP C C 13 171.913 0.01 . 1 . . . . . 18 ASP C . 27591 1 62 . 1 . 1 18 18 ASP CA C 13 54.022 0.16 . 1 . . . . . 18 ASP CA . 27591 1 63 . 1 . 1 18 18 ASP CB C 13 34.727 0.04 . 1 . . . . . 18 ASP CB . 27591 1 64 . 1 . 1 18 18 ASP N N 15 111.351 0.00 . 1 . . . . . 18 ASP N . 27591 1 65 . 1 . 1 19 19 TYR H H 1 7.336 0.01 . 1 . . . . . 19 TYR H . 27591 1 66 . 1 . 1 19 19 TYR C C 13 172.031 0.01 . 1 . . . . . 19 TYR C . 27591 1 67 . 1 . 1 19 19 TYR CA C 13 55.153 0.07 . 1 . . . . . 19 TYR CA . 27591 1 68 . 1 . 1 19 19 TYR CB C 13 39.030 0.07 . 1 . . . . . 19 TYR CB . 27591 1 69 . 1 . 1 19 19 TYR N N 15 115.547 0.00 . 1 . . . . . 19 TYR N . 27591 1 70 . 1 . 1 20 20 TRP H H 1 9.778 0.01 . 1 . . . . . 20 TRP H . 27591 1 71 . 1 . 1 20 20 TRP C C 13 172.763 0.02 . 1 . . . . . 20 TRP C . 27591 1 72 . 1 . 1 20 20 TRP CA C 13 55.436 0.05 . 1 . . . . . 20 TRP CA . 27591 1 73 . 1 . 1 20 20 TRP CB C 13 28.582 0.07 . 1 . . . . . 20 TRP CB . 27591 1 74 . 1 . 1 20 20 TRP N N 15 123.009 0.00 . 1 . . . . . 20 TRP N . 27591 1 75 . 1 . 1 21 21 ILE H H 1 9.734 0.01 . 1 . . . . . 21 ILE H . 27591 1 76 . 1 . 1 21 21 ILE C C 13 172.681 0.01 . 1 . . . . . 21 ILE C . 27591 1 77 . 1 . 1 21 21 ILE CA C 13 56.946 0.09 . 1 . . . . . 21 ILE CA . 27591 1 78 . 1 . 1 21 21 ILE CB C 13 35.010 0.14 . 1 . . . . . 21 ILE CB . 27591 1 79 . 1 . 1 21 21 ILE N N 15 123.698 0.00 . 1 . . . . . 21 ILE N . 27591 1 80 . 1 . 1 22 22 LEU H H 1 9.551 0.01 . 1 . . . . . 22 LEU H . 27591 1 81 . 1 . 1 22 22 LEU C C 13 172.564 0.00 . 1 . . . . . 22 LEU C . 27591 1 82 . 1 . 1 22 22 LEU CA C 13 51.266 0.06 . 1 . . . . . 22 LEU CA . 27591 1 83 . 1 . 1 22 22 LEU CB C 13 41.686 0.05 . 1 . . . . . 22 LEU CB . 27591 1 84 . 1 . 1 22 22 LEU N N 15 130.523 0.00 . 1 . . . . . 22 LEU N . 27591 1 85 . 1 . 1 23 23 LEU H H 1 9.200 0.01 . 1 . . . . . 23 LEU H . 27591 1 86 . 1 . 1 23 23 LEU C C 13 171.828 0.02 . 1 . . . . . 23 LEU C . 27591 1 87 . 1 . 1 23 23 LEU CA C 13 52.306 0.06 . 1 . . . . . 23 LEU CA . 27591 1 88 . 1 . 1 23 23 LEU CB C 13 40.871 0.25 . 1 . . . . . 23 LEU CB . 27591 1 89 . 1 . 1 23 23 LEU N N 15 127.499 0.00 . 1 . . . . . 23 LEU N . 27591 1 90 . 1 . 1 24 24 ASN H H 1 8.477 0.01 . 1 . . . . . 24 ASN H . 27591 1 91 . 1 . 1 24 24 ASN C C 13 168.767 0.00 . 1 . . . . . 24 ASN C . 27591 1 92 . 1 . 1 24 24 ASN CA C 13 47.862 0.09 . 1 . . . . . 24 ASN CA . 27591 1 93 . 1 . 1 24 24 ASN CB C 13 37.967 0.00 . 1 . . . . . 24 ASN CB . 27591 1 94 . 1 . 1 24 24 ASN N N 15 119.138 0.00 . 1 . . . . . 24 ASN N . 27591 1 95 . 1 . 1 25 25 PRO C C 13 173.408 0.00 . 1 . . . . . 25 PRO C . 27591 1 96 . 1 . 1 25 25 PRO CA C 13 59.901 0.03 . 1 . . . . . 25 PRO CA . 27591 1 97 . 1 . 1 25 25 PRO CB C 13 31.407 0.08 . 1 . . . . . 25 PRO CB . 27591 1 98 . 1 . 1 26 26 THR H H 1 9.498 0.01 . 1 . . . . . 26 THR H . 27591 1 99 . 1 . 1 26 26 THR C C 13 173.396 0.00 . 1 . . . . . 26 THR C . 27591 1 100 . 1 . 1 26 26 THR CA C 13 58.434 0.01 . 1 . . . . . 26 THR CA . 27591 1 101 . 1 . 1 26 26 THR CB C 13 65.433 0.00 . 1 . . . . . 26 THR CB . 27591 1 102 . 1 . 1 26 26 THR N N 15 111.872 0.00 . 1 . . . . . 26 THR N . 27591 1 103 . 1 . 1 27 27 ASN C C 13 171.310 0.00 . 1 . . . . . 27 ASN C . 27591 1 104 . 1 . 1 27 27 ASN CA C 13 61.050 0.13 . 1 . . . . . 27 ASN CA . 27591 1 105 . 1 . 1 27 27 ASN CB C 13 36.029 0.03 . 1 . . . . . 27 ASN CB . 27591 1 106 . 1 . 1 28 28 GLN H H 1 8.877 0.01 . 1 . . . . . 28 GLN H . 27591 1 107 . 1 . 1 28 28 GLN C C 13 172.228 0.01 . 1 . . . . . 28 GLN C . 27591 1 108 . 1 . 1 28 28 GLN CA C 13 56.353 0.02 . 1 . . . . . 28 GLN CA . 27591 1 109 . 1 . 1 28 28 GLN CB C 13 24.066 0.15 . 1 . . . . . 28 GLN CB . 27591 1 110 . 1 . 1 28 28 GLN N N 15 122.523 0.01 . 1 . . . . . 28 GLN N . 27591 1 111 . 1 . 1 29 29 GLN H H 1 8.240 0.01 . 1 . . . . . 29 GLN H . 27591 1 112 . 1 . 1 29 29 GLN C C 13 173.707 0.03 . 1 . . . . . 29 GLN C . 27591 1 113 . 1 . 1 29 29 GLN CA C 13 55.565 0.01 . 1 . . . . . 29 GLN CA . 27591 1 114 . 1 . 1 29 29 GLN CB C 13 27.395 0.05 . 1 . . . . . 29 GLN CB . 27591 1 115 . 1 . 1 29 29 GLN N N 15 116.786 0.00 . 1 . . . . . 29 GLN N . 27591 1 116 . 1 . 1 30 30 VAL H H 1 7.227 0.01 . 1 . . . . . 30 VAL H . 27591 1 117 . 1 . 1 30 30 VAL C C 13 172.572 0.01 . 1 . . . . . 30 VAL C . 27591 1 118 . 1 . 1 30 30 VAL CA C 13 58.992 0.06 . 1 . . . . . 30 VAL CA . 27591 1 119 . 1 . 1 30 30 VAL CB C 13 30.051 0.04 . 1 . . . . . 30 VAL CB . 27591 1 120 . 1 . 1 30 30 VAL N N 15 115.568 0.00 . 1 . . . . . 30 VAL N . 27591 1 121 . 1 . 1 31 31 VAL H H 1 8.814 0.01 . 1 . . . . . 31 VAL H . 27591 1 122 . 1 . 1 31 31 VAL C C 13 172.212 0.03 . 1 . . . . . 31 VAL C . 27591 1 123 . 1 . 1 31 31 VAL CA C 13 61.395 0.06 . 1 . . . . . 31 VAL CA . 27591 1 124 . 1 . 1 31 31 VAL CB C 13 30.836 0.20 . 1 . . . . . 31 VAL CB . 27591 1 125 . 1 . 1 31 31 VAL N N 15 123.507 0.00 . 1 . . . . . 31 VAL N . 27591 1 126 . 1 . 1 32 32 LEU H H 1 7.095 0.01 . 1 . . . . . 32 LEU H . 27591 1 127 . 1 . 1 32 32 LEU C C 13 171.533 0.03 . 1 . . . . . 32 LEU C . 27591 1 128 . 1 . 1 32 32 LEU CA C 13 51.740 0.05 . 1 . . . . . 32 LEU CA . 27591 1 129 . 1 . 1 32 32 LEU CB C 13 43.687 0.14 . 1 . . . . . 32 LEU CB . 27591 1 130 . 1 . 1 32 32 LEU N N 15 119.000 0.01 . 1 . . . . . 32 LEU N . 27591 1 131 . 1 . 1 33 33 GLU H H 1 8.866 0.01 . 1 . . . . . 33 GLU H . 27591 1 132 . 1 . 1 33 33 GLU C C 13 172.525 0.01 . 1 . . . . . 33 GLU C . 27591 1 133 . 1 . 1 33 33 GLU CA C 13 53.006 0.10 . 1 . . . . . 33 GLU CA . 27591 1 134 . 1 . 1 33 33 GLU CB C 13 30.973 0.02 . 1 . . . . . 33 GLU CB . 27591 1 135 . 1 . 1 33 33 GLU N N 15 125.237 0.00 . 1 . . . . . 33 GLU N . 27591 1 136 . 1 . 1 34 34 GLY H H 1 10.305 0.01 . 1 . . . . . 34 GLY H . 27591 1 137 . 1 . 1 34 34 GLY C C 13 168.408 0.02 . 1 . . . . . 34 GLY C . 27591 1 138 . 1 . 1 34 34 GLY CA C 13 41.854 0.07 . 1 . . . . . 34 GLY CA . 27591 1 139 . 1 . 1 34 34 GLY N N 15 113.317 0.00 . 1 . . . . . 34 GLY N . 27591 1 140 . 1 . 1 35 35 THR H H 1 8.756 0.01 . 1 . . . . . 35 THR H . 27591 1 141 . 1 . 1 35 35 THR C C 13 169.658 0.02 . 1 . . . . . 35 THR C . 27591 1 142 . 1 . 1 35 35 THR CA C 13 57.216 0.04 . 1 . . . . . 35 THR CA . 27591 1 143 . 1 . 1 35 35 THR CB C 13 67.274 0.14 . 1 . . . . . 35 THR CB . 27591 1 144 . 1 . 1 35 35 THR N N 15 116.614 0.00 . 1 . . . . . 35 THR N . 27591 1 145 . 1 . 1 36 36 ASN H H 1 7.083 0.01 . 1 . . . . . 36 ASN H . 27591 1 146 . 1 . 1 36 36 ASN C C 13 171.873 0.01 . 1 . . . . . 36 ASN C . 27591 1 147 . 1 . 1 36 36 ASN CA C 13 49.353 0.02 . 1 . . . . . 36 ASN CA . 27591 1 148 . 1 . 1 36 36 ASN CB C 13 36.356 0.05 . 1 . . . . . 36 ASN CB . 27591 1 149 . 1 . 1 36 36 ASN N N 15 122.888 0.00 . 1 . . . . . 36 ASN N . 27591 1 150 . 1 . 1 37 37 LYS H H 1 8.954 0.01 . 1 . . . . . 37 LYS H . 27591 1 151 . 1 . 1 37 37 LYS C C 13 172.329 0.02 . 1 . . . . . 37 LYS C . 27591 1 152 . 1 . 1 37 37 LYS CA C 13 56.286 0.04 . 1 . . . . . 37 LYS CA . 27591 1 153 . 1 . 1 37 37 LYS CB C 13 27.679 0.02 . 1 . . . . . 37 LYS CB . 27591 1 154 . 1 . 1 37 37 LYS N N 15 113.376 0.00 . 1 . . . . . 37 LYS N . 27591 1 155 . 1 . 1 38 38 THR H H 1 7.712 0.01 . 1 . . . . . 38 THR H . 27591 1 156 . 1 . 1 38 38 THR C C 13 171.157 0.02 . 1 . . . . . 38 THR C . 27591 1 157 . 1 . 1 38 38 THR CA C 13 60.151 0.08 . 1 . . . . . 38 THR CA . 27591 1 158 . 1 . 1 38 38 THR CB C 13 67.221 0.20 . 1 . . . . . 38 THR CB . 27591 1 159 . 1 . 1 38 38 THR N N 15 110.763 0.00 . 1 . . . . . 38 THR N . 27591 1 160 . 1 . 1 39 39 ASP H H 1 8.179 0.01 . 1 . . . . . 39 ASP H . 27591 1 161 . 1 . 1 39 39 ASP C C 13 172.236 0.00 . 1 . . . . . 39 ASP C . 27591 1 162 . 1 . 1 39 39 ASP CA C 13 50.283 0.13 . 1 . . . . . 39 ASP CA . 27591 1 163 . 1 . 1 39 39 ASP CB C 13 39.207 0.02 . 1 . . . . . 39 ASP CB . 27591 1 164 . 1 . 1 39 39 ASP N N 15 121.412 0.00 . 1 . . . . . 39 ASP N . 27591 1 165 . 1 . 1 40 40 ILE H H 1 7.166 0.01 . 1 . . . . . 40 ILE H . 27591 1 166 . 1 . 1 40 40 ILE C C 13 170.413 0.02 . 1 . . . . . 40 ILE C . 27591 1 167 . 1 . 1 40 40 ILE CA C 13 58.026 0.06 . 1 . . . . . 40 ILE CA . 27591 1 168 . 1 . 1 40 40 ILE CB C 13 37.861 0.04 . 1 . . . . . 40 ILE CB . 27591 1 169 . 1 . 1 40 40 ILE N N 15 116.223 0.00 . 1 . . . . . 40 ILE N . 27591 1 170 . 1 . 1 41 41 TRP H H 1 8.045 0.01 . 1 . . . . . 41 TRP H . 27591 1 171 . 1 . 1 41 41 TRP C C 13 170.482 0.02 . 1 . . . . . 41 TRP C . 27591 1 172 . 1 . 1 41 41 TRP CA C 13 56.335 0.03 . 1 . . . . . 41 TRP CA . 27591 1 173 . 1 . 1 41 41 TRP CB C 13 31.238 0.05 . 1 . . . . . 41 TRP CB . 27591 1 174 . 1 . 1 41 41 TRP N N 15 130.854 0.00 . 1 . . . . . 41 TRP N . 27591 1 175 . 1 . 1 42 42 VAL H H 1 9.732 0.01 . 1 . . . . . 42 VAL H . 27591 1 176 . 1 . 1 42 42 VAL C C 13 170.771 0.02 . 1 . . . . . 42 VAL C . 27591 1 177 . 1 . 1 42 42 VAL CA C 13 56.525 0.09 . 1 . . . . . 42 VAL CA . 27591 1 178 . 1 . 1 42 42 VAL CB C 13 33.203 0.18 . 1 . . . . . 42 VAL CB . 27591 1 179 . 1 . 1 42 42 VAL N N 15 119.695 0.00 . 1 . . . . . 42 VAL N . 27591 1 180 . 1 . 1 43 43 ALA H H 1 9.419 0.01 . 1 . . . . . 43 ALA H . 27591 1 181 . 1 . 1 43 43 ALA C C 13 172.677 0.02 . 1 . . . . . 43 ALA C . 27591 1 182 . 1 . 1 43 43 ALA CA C 13 47.154 0.01 . 1 . . . . . 43 ALA CA . 27591 1 183 . 1 . 1 43 43 ALA CB C 13 20.683 0.02 . 1 . . . . . 43 ALA CB . 27591 1 184 . 1 . 1 43 43 ALA N N 15 128.956 0.00 . 1 . . . . . 43 ALA N . 27591 1 185 . 1 . 1 44 44 LEU H H 1 8.302 0.01 . 1 . . . . . 44 LEU H . 27591 1 186 . 1 . 1 44 44 LEU C C 13 172.259 0.00 . 1 . . . . . 44 LEU C . 27591 1 187 . 1 . 1 44 44 LEU CA C 13 50.456 0.02 . 1 . . . . . 44 LEU CA . 27591 1 188 . 1 . 1 44 44 LEU CB C 13 41.898 0.15 . 1 . . . . . 44 LEU CB . 27591 1 189 . 1 . 1 44 44 LEU N N 15 119.675 0.00 . 1 . . . . . 44 LEU N . 27591 1 190 . 1 . 1 45 45 LEU H H 1 9.196 0.01 . 1 . . . . . 45 LEU H . 27591 1 191 . 1 . 1 45 45 LEU C C 13 172.986 0.00 . 1 . . . . . 45 LEU C . 27591 1 192 . 1 . 1 45 45 LEU CA C 13 49.986 0.10 . 1 . . . . . 45 LEU CA . 27591 1 193 . 1 . 1 45 45 LEU CB C 13 39.986 0.16 . 1 . . . . . 45 LEU CB . 27591 1 194 . 1 . 1 45 45 LEU N N 15 125.248 0.00 . 1 . . . . . 45 LEU N . 27591 1 195 . 1 . 1 46 46 LEU H H 1 8.627 0.01 . 1 . . . . . 46 LEU H . 27591 1 196 . 1 . 1 46 46 LEU C C 13 172.699 0.03 . 1 . . . . . 46 LEU C . 27591 1 197 . 1 . 1 46 46 LEU CA C 13 51.737 0.14 . 1 . . . . . 46 LEU CA . 27591 1 198 . 1 . 1 46 46 LEU CB C 13 41.314 0.05 . 1 . . . . . 46 LEU CB . 27591 1 199 . 1 . 1 46 46 LEU N N 15 124.502 0.00 . 1 . . . . . 46 LEU N . 27591 1 200 . 1 . 1 47 47 VAL H H 1 9.657 0.01 . 1 . . . . . 47 VAL H . 27591 1 201 . 1 . 1 47 47 VAL C C 13 170.466 0.00 . 1 . . . . . 47 VAL C . 27591 1 202 . 1 . 1 47 47 VAL CA C 13 60.332 0.05 . 1 . . . . . 47 VAL CA . 27591 1 203 . 1 . 1 47 47 VAL CB C 13 30.848 0.00 . 1 . . . . . 47 VAL CB . 27591 1 204 . 1 . 1 47 47 VAL N N 15 132.511 0.00 . 1 . . . . . 47 VAL N . 27591 1 205 . 1 . 1 48 48 GLU H H 1 10.161 0.01 . 1 . . . . . 48 GLU H . 27591 1 206 . 1 . 1 48 48 GLU CA C 13 52.617 0.07 . 1 . . . . . 48 GLU CA . 27591 1 207 . 1 . 1 48 48 GLU CB C 13 26.758 0.00 . 1 . . . . . 48 GLU CB . 27591 1 208 . 1 . 1 48 48 GLU N N 15 131.342 0.00 . 1 . . . . . 48 GLU N . 27591 1 209 . 1 . 1 49 49 PRO C C 13 173.999 0.01 . 1 . . . . . 49 PRO C . 27591 1 210 . 1 . 1 49 49 PRO CA C 13 60.074 0.04 . 1 . . . . . 49 PRO CA . 27591 1 211 . 1 . 1 49 49 PRO CB C 13 30.105 0.05 . 1 . . . . . 49 PRO CB . 27591 1 212 . 1 . 1 50 50 ASN H H 1 7.818 0.01 . 1 . . . . . 50 ASN H . 27591 1 213 . 1 . 1 50 50 ASN C C 13 171.259 0.01 . 1 . . . . . 50 ASN C . 27591 1 214 . 1 . 1 50 50 ASN CA C 13 52.479 0.07 . 1 . . . . . 50 ASN CA . 27591 1 215 . 1 . 1 50 50 ASN CB C 13 34.443 0.07 . 1 . . . . . 50 ASN CB . 27591 1 216 . 1 . 1 50 50 ASN N N 15 115.950 0.00 . 1 . . . . . 50 ASN N . 27591 1 217 . 1 . 1 51 51 VAL H H 1 8.523 0.01 . 1 . . . . . 51 VAL H . 27591 1 218 . 1 . 1 51 51 VAL C C 13 173.978 0.01 . 1 . . . . . 51 VAL C . 27591 1 219 . 1 . 1 51 51 VAL CA C 13 58.978 0.04 . 1 . . . . . 51 VAL CA . 27591 1 220 . 1 . 1 51 51 VAL CB C 13 32.460 0.18 . 1 . . . . . 51 VAL CB . 27591 1 221 . 1 . 1 51 51 VAL N N 15 121.882 0.00 . 1 . . . . . 51 VAL N . 27591 1 222 . 1 . 1 52 52 THR H H 1 8.377 0.01 . 1 . . . . . 52 THR H . 27591 1 223 . 1 . 1 52 52 THR C C 13 170.783 0.01 . 1 . . . . . 52 THR C . 27591 1 224 . 1 . 1 52 52 THR CA C 13 59.310 0.12 . 1 . . . . . 52 THR CA . 27591 1 225 . 1 . 1 52 52 THR CB C 13 66.779 0.14 . 1 . . . . . 52 THR CB . 27591 1 226 . 1 . 1 52 52 THR N N 15 123.178 0.00 . 1 . . . . . 52 THR N . 27591 1 227 . 1 . 1 53 53 ASN H H 1 8.408 0.01 . 1 . . . . . 53 ASN H . 27591 1 228 . 1 . 1 53 53 ASN C C 13 172.806 0.01 . 1 . . . . . 53 ASN C . 27591 1 229 . 1 . 1 53 53 ASN CA C 13 52.899 0.03 . 1 . . . . . 53 ASN CA . 27591 1 230 . 1 . 1 53 53 ASN CB C 13 36.940 0.02 . 1 . . . . . 53 ASN CB . 27591 1 231 . 1 . 1 53 53 ASN N N 15 120.728 0.00 . 1 . . . . . 53 ASN N . 27591 1 232 . 1 . 1 54 54 GLN H H 1 8.842 0.01 . 1 . . . . . 54 GLN H . 27591 1 233 . 1 . 1 54 54 GLN C C 13 170.040 0.01 . 1 . . . . . 54 GLN C . 27591 1 234 . 1 . 1 54 54 GLN CA C 13 51.930 0.04 . 1 . . . . . 54 GLN CA . 27591 1 235 . 1 . 1 54 54 GLN CB C 13 29.680 0.13 . 1 . . . . . 54 GLN CB . 27591 1 236 . 1 . 1 54 54 GLN N N 15 122.162 0.00 . 1 . . . . . 54 GLN N . 27591 1 237 . 1 . 1 55 55 SER H H 1 8.577 0.01 . 1 . . . . . 55 SER H . 27591 1 238 . 1 . 1 55 55 SER C C 13 171.972 0.01 . 1 . . . . . 55 SER C . 27591 1 239 . 1 . 1 55 55 SER CA C 13 54.874 0.03 . 1 . . . . . 55 SER CA . 27591 1 240 . 1 . 1 55 55 SER CB C 13 60.988 0.07 . 1 . . . . . 55 SER CB . 27591 1 241 . 1 . 1 55 55 SER N N 15 115.893 0.00 . 1 . . . . . 55 SER N . 27591 1 242 . 1 . 1 56 56 ARG H H 1 8.907 0.01 . 1 . . . . . 56 ARG H . 27591 1 243 . 1 . 1 56 56 ARG C C 13 170.411 0.02 . 1 . . . . . 56 ARG C . 27591 1 244 . 1 . 1 56 56 ARG CA C 13 52.665 0.09 . 1 . . . . . 56 ARG CA . 27591 1 245 . 1 . 1 56 56 ARG CB C 13 32.052 0.10 . 1 . . . . . 56 ARG CB . 27591 1 246 . 1 . 1 56 56 ARG N N 15 127.627 0.00 . 1 . . . . . 56 ARG N . 27591 1 247 . 1 . 1 57 57 GLN H H 1 7.972 0.01 . 1 . . . . . 57 GLN H . 27591 1 248 . 1 . 1 57 57 GLN C C 13 172.560 0.01 . 1 . . . . . 57 GLN C . 27591 1 249 . 1 . 1 57 57 GLN CA C 13 51.891 0.01 . 1 . . . . . 57 GLN CA . 27591 1 250 . 1 . 1 57 57 GLN CB C 13 27.927 0.04 . 1 . . . . . 57 GLN CB . 27591 1 251 . 1 . 1 57 57 GLN N N 15 119.802 0.00 . 1 . . . . . 57 GLN N . 27591 1 252 . 1 . 1 58 58 TYR H H 1 8.900 0.01 . 1 . . . . . 58 TYR H . 27591 1 253 . 1 . 1 58 58 TYR C C 13 171.796 0.02 . 1 . . . . . 58 TYR C . 27591 1 254 . 1 . 1 58 58 TYR CA C 13 53.971 0.03 . 1 . . . . . 58 TYR CA . 27591 1 255 . 1 . 1 58 58 TYR CB C 13 39.986 0.11 . 1 . . . . . 58 TYR CB . 27591 1 256 . 1 . 1 58 58 TYR N N 15 122.995 0.00 . 1 . . . . . 58 TYR N . 27591 1 257 . 1 . 1 59 59 THR H H 1 8.746 0.01 . 1 . . . . . 59 THR H . 27591 1 258 . 1 . 1 59 59 THR C C 13 170.466 0.00 . 1 . . . . . 59 THR C . 27591 1 259 . 1 . 1 59 59 THR CA C 13 59.412 0.05 . 1 . . . . . 59 THR CA . 27591 1 260 . 1 . 1 59 59 THR CB C 13 65.752 0.11 . 1 . . . . . 59 THR CB . 27591 1 261 . 1 . 1 59 59 THR N N 15 120.578 0.00 . 1 . . . . . 59 THR N . 27591 1 262 . 1 . 1 60 60 LEU H H 1 8.802 0.01 . 1 . . . . . 60 LEU H . 27591 1 263 . 1 . 1 60 60 LEU C C 13 173.126 0.00 . 1 . . . . . 60 LEU C . 27591 1 264 . 1 . 1 60 60 LEU CA C 13 49.624 0.09 . 1 . . . . . 60 LEU CA . 27591 1 265 . 1 . 1 60 60 LEU CB C 13 41.686 0.04 . 1 . . . . . 60 LEU CB . 27591 1 266 . 1 . 1 60 60 LEU N N 15 126.370 0.00 . 1 . . . . . 60 LEU N . 27591 1 267 . 1 . 1 61 61 PHE H H 1 9.364 0.01 . 1 . . . . . 61 PHE H . 27591 1 268 . 1 . 1 61 61 PHE C C 13 174.165 0.01 . 1 . . . . . 61 PHE C . 27591 1 269 . 1 . 1 61 61 PHE CA C 13 55.560 0.08 . 1 . . . . . 61 PHE CA . 27591 1 270 . 1 . 1 61 61 PHE CB C 13 33.239 0.16 . 1 . . . . . 61 PHE CB . 27591 1 271 . 1 . 1 61 61 PHE N N 15 123.846 0.00 . 1 . . . . . 61 PHE N . 27591 1 272 . 1 . 1 62 62 GLY H H 1 8.823 0.01 . 1 . . . . . 62 GLY H . 27591 1 273 . 1 . 1 62 62 GLY C C 13 171.075 0.03 . 1 . . . . . 62 GLY C . 27591 1 274 . 1 . 1 62 62 GLY CA C 13 42.633 0.07 . 1 . . . . . 62 GLY CA . 27591 1 275 . 1 . 1 62 62 GLY N N 15 103.836 0.00 . 1 . . . . . 62 GLY N . 27591 1 276 . 1 . 1 63 63 GLU H H 1 8.109 0.01 . 1 . . . . . 63 GLU H . 27591 1 277 . 1 . 1 63 63 GLU C C 13 172.474 0.01 . 1 . . . . . 63 GLU C . 27591 1 278 . 1 . 1 63 63 GLU CA C 13 51.868 0.07 . 1 . . . . . 63 GLU CA . 27591 1 279 . 1 . 1 63 63 GLU CB C 13 29.538 0.07 . 1 . . . . . 63 GLU CB . 27591 1 280 . 1 . 1 63 63 GLU N N 15 121.534 0.00 . 1 . . . . . 63 GLU N . 27591 1 281 . 1 . 1 64 64 THR H H 1 8.781 0.01 . 1 . . . . . 64 THR H . 27591 1 282 . 1 . 1 64 64 THR C C 13 171.644 0.02 . 1 . . . . . 64 THR C . 27591 1 283 . 1 . 1 64 64 THR CA C 13 60.634 0.13 . 1 . . . . . 64 THR CA . 27591 1 284 . 1 . 1 64 64 THR CB C 13 66.052 0.07 . 1 . . . . . 64 THR CB . 27591 1 285 . 1 . 1 64 64 THR N N 15 119.919 0.00 . 1 . . . . . 64 THR N . 27591 1 286 . 1 . 1 65 65 LYS H H 1 9.278 0.01 . 1 . . . . . 65 LYS H . 27591 1 287 . 1 . 1 65 65 LYS C C 13 172.154 0.00 . 1 . . . . . 65 LYS C . 27591 1 288 . 1 . 1 65 65 LYS CA C 13 50.199 0.11 . 1 . . . . . 65 LYS CA . 27591 1 289 . 1 . 1 65 65 LYS CB C 13 32.955 0.02 . 1 . . . . . 65 LYS CB . 27591 1 290 . 1 . 1 65 65 LYS N N 15 127.522 0.00 . 1 . . . . . 65 LYS N . 27591 1 291 . 1 . 1 66 66 GLN H H 1 8.442 0.01 . 1 . . . . . 66 GLN H . 27591 1 292 . 1 . 1 66 66 GLN C C 13 172.911 0.01 . 1 . . . . . 66 GLN C . 27591 1 293 . 1 . 1 66 66 GLN CA C 13 51.864 0.05 . 1 . . . . . 66 GLN CA . 27591 1 294 . 1 . 1 66 66 GLN CB C 13 26.262 0.07 . 1 . . . . . 66 GLN CB . 27591 1 295 . 1 . 1 66 66 GLN N N 15 120.844 0.01 . 1 . . . . . 66 GLN N . 27591 1 296 . 1 . 1 67 67 ILE H H 1 9.308 0.01 . 1 . . . . . 67 ILE H . 27591 1 297 . 1 . 1 67 67 ILE C C 13 172.310 0.02 . 1 . . . . . 67 ILE C . 27591 1 298 . 1 . 1 67 67 ILE CA C 13 57.504 0.04 . 1 . . . . . 67 ILE CA . 27591 1 299 . 1 . 1 67 67 ILE CB C 13 38.995 0.02 . 1 . . . . . 67 ILE CB . 27591 1 300 . 1 . 1 67 67 ILE N N 15 127.600 0.00 . 1 . . . . . 67 ILE N . 27591 1 301 . 1 . 1 68 68 THR H H 1 8.647 0.01 . 1 . . . . . 68 THR H . 27591 1 302 . 1 . 1 68 68 THR C C 13 171.146 0.02 . 1 . . . . . 68 THR C . 27591 1 303 . 1 . 1 68 68 THR CA C 13 60.638 0.15 . 1 . . . . . 68 THR CA . 27591 1 304 . 1 . 1 68 68 THR CB C 13 66.301 0.02 . 1 . . . . . 68 THR CB . 27591 1 305 . 1 . 1 68 68 THR N N 15 124.750 0.00 . 1 . . . . . 68 THR N . 27591 1 306 . 1 . 1 69 69 VAL H H 1 8.975 0.01 . 1 . . . . . 69 VAL H . 27591 1 307 . 1 . 1 69 69 VAL C C 13 170.083 0.01 . 1 . . . . . 69 VAL C . 27591 1 308 . 1 . 1 69 69 VAL CA C 13 56.565 0.05 . 1 . . . . . 69 VAL CA . 27591 1 309 . 1 . 1 69 69 VAL CB C 13 33.363 0.09 . 1 . . . . . 69 VAL CB . 27591 1 310 . 1 . 1 69 69 VAL N N 15 119.985 0.00 . 1 . . . . . 69 VAL N . 27591 1 311 . 1 . 1 70 70 GLU H H 1 6.556 0.01 . 1 . . . . . 70 GLU H . 27591 1 312 . 1 . 1 70 70 GLU C C 13 172.032 0.02 . 1 . . . . . 70 GLU C . 27591 1 313 . 1 . 1 70 70 GLU CA C 13 53.179 0.06 . 1 . . . . . 70 GLU CA . 27591 1 314 . 1 . 1 70 70 GLU CB C 13 30.388 0.07 . 1 . . . . . 70 GLU CB . 27591 1 315 . 1 . 1 70 70 GLU N N 15 114.709 0.00 . 1 . . . . . 70 GLU N . 27591 1 316 . 1 . 1 71 71 ASN H H 1 9.599 0.01 . 1 . . . . . 71 ASN H . 27591 1 317 . 1 . 1 71 71 ASN C C 13 171.404 0.00 . 1 . . . . . 71 ASN C . 27591 1 318 . 1 . 1 71 71 ASN CA C 13 50.160 0.03 . 1 . . . . . 71 ASN CA . 27591 1 319 . 1 . 1 71 71 ASN CB C 13 36.161 0.00 . 1 . . . . . 71 ASN CB . 27591 1 320 . 1 . 1 71 71 ASN N N 15 120.355 0.00 . 1 . . . . . 71 ASN N . 27591 1 321 . 1 . 1 72 72 ASN C C 13 172.317 0.01 . 1 . . . . . 72 ASN C . 27591 1 322 . 1 . 1 72 72 ASN CA C 13 49.801 0.09 . 1 . . . . . 72 ASN CA . 27591 1 323 . 1 . 1 72 72 ASN CB C 13 34.939 0.05 . 1 . . . . . 72 ASN CB . 27591 1 324 . 1 . 1 73 73 THR H H 1 7.686 0.01 . 1 . . . . . 73 THR H . 27591 1 325 . 1 . 1 73 73 THR C C 13 169.358 0.02 . 1 . . . . . 73 THR C . 27591 1 326 . 1 . 1 73 73 THR CA C 13 57.614 0.05 . 1 . . . . . 73 THR CA . 27591 1 327 . 1 . 1 73 73 THR CB C 13 69.329 0.05 . 1 . . . . . 73 THR CB . 27591 1 328 . 1 . 1 73 73 THR N N 15 110.307 0.01 . 1 . . . . . 73 THR N . 27591 1 329 . 1 . 1 74 74 ASN H H 1 8.193 0.01 . 1 . . . . . 74 ASN H . 27591 1 330 . 1 . 1 74 74 ASN C C 13 172.359 0.01 . 1 . . . . . 74 ASN C . 27591 1 331 . 1 . 1 74 74 ASN CA C 13 49.894 0.06 . 1 . . . . . 74 ASN CA . 27591 1 332 . 1 . 1 74 74 ASN CB C 13 35.895 0.04 . 1 . . . . . 74 ASN CB . 27591 1 333 . 1 . 1 74 74 ASN N N 15 113.934 0.00 . 1 . . . . . 74 ASN N . 27591 1 334 . 1 . 1 75 75 LYS H H 1 8.617 0.01 . 1 . . . . . 75 LYS H . 27591 1 335 . 1 . 1 75 75 LYS C C 13 171.876 0.01 . 1 . . . . . 75 LYS C . 27591 1 336 . 1 . 1 75 75 LYS CA C 13 52.754 0.07 . 1 . . . . . 75 LYS CA . 27591 1 337 . 1 . 1 75 75 LYS CB C 13 32.637 0.07 . 1 . . . . . 75 LYS CB . 27591 1 338 . 1 . 1 75 75 LYS N N 15 122.136 0.00 . 1 . . . . . 75 LYS N . 27591 1 339 . 1 . 1 76 76 TRP H H 1 8.159 0.01 . 1 . . . . . 76 TRP H . 27591 1 340 . 1 . 1 76 76 TRP C C 13 172.957 0.02 . 1 . . . . . 76 TRP C . 27591 1 341 . 1 . 1 76 76 TRP CA C 13 55.233 0.07 . 1 . . . . . 76 TRP CA . 27591 1 342 . 1 . 1 76 76 TRP CB C 13 26.563 0.18 . 1 . . . . . 76 TRP CB . 27591 1 343 . 1 . 1 76 76 TRP N N 15 120.893 0.01 . 1 . . . . . 76 TRP N . 27591 1 344 . 1 . 1 77 77 LYS H H 1 8.957 0.01 . 1 . . . . . 77 LYS H . 27591 1 345 . 1 . 1 77 77 LYS C C 13 172.595 0.01 . 1 . . . . . 77 LYS C . 27591 1 346 . 1 . 1 77 77 LYS CA C 13 52.968 0.08 . 1 . . . . . 77 LYS CA . 27591 1 347 . 1 . 1 77 77 LYS CB C 13 35.346 0.07 . 1 . . . . . 77 LYS CB . 27591 1 348 . 1 . 1 77 77 LYS N N 15 119.771 0.00 . 1 . . . . . 77 LYS N . 27591 1 349 . 1 . 1 78 78 PHE H H 1 9.813 0.01 . 1 . . . . . 78 PHE H . 27591 1 350 . 1 . 1 78 78 PHE C C 13 174.181 0.00 . 1 . . . . . 78 PHE C . 27591 1 351 . 1 . 1 78 78 PHE CA C 13 53.023 0.07 . 1 . . . . . 78 PHE CA . 27591 1 352 . 1 . 1 78 78 PHE CB C 13 37.702 0.05 . 1 . . . . . 78 PHE CB . 27591 1 353 . 1 . 1 78 78 PHE N N 15 120.645 0.00 . 1 . . . . . 78 PHE N . 27591 1 354 . 1 . 1 79 79 PHE H H 1 9.540 0.01 . 1 . . . . . 79 PHE H . 27591 1 355 . 1 . 1 79 79 PHE C C 13 171.474 0.01 . 1 . . . . . 79 PHE C . 27591 1 356 . 1 . 1 79 79 PHE CA C 13 53.520 0.09 . 1 . . . . . 79 PHE CA . 27591 1 357 . 1 . 1 79 79 PHE CB C 13 37.047 0.20 . 1 . . . . . 79 PHE CB . 27591 1 358 . 1 . 1 79 79 PHE N N 15 126.349 0.00 . 1 . . . . . 79 PHE N . 27591 1 359 . 1 . 1 80 80 GLU H H 1 8.859 0.01 . 1 . . . . . 80 GLU H . 27591 1 360 . 1 . 1 80 80 GLU C C 13 171.900 0.01 . 1 . . . . . 80 GLU C . 27591 1 361 . 1 . 1 80 80 GLU CA C 13 53.143 0.07 . 1 . . . . . 80 GLU CA . 27591 1 362 . 1 . 1 80 80 GLU CB C 13 28.033 0.11 . 1 . . . . . 80 GLU CB . 27591 1 363 . 1 . 1 80 80 GLU N N 15 125.980 0.00 . 1 . . . . . 80 GLU N . 27591 1 364 . 1 . 1 81 81 MET H H 1 9.441 0.01 . 1 . . . . . 81 MET H . 27591 1 365 . 1 . 1 81 81 MET C C 13 174.040 0.01 . 1 . . . . . 81 MET C . 27591 1 366 . 1 . 1 81 81 MET CA C 13 49.022 0.07 . 1 . . . . . 81 MET CA . 27591 1 367 . 1 . 1 81 81 MET CB C 13 27.785 0.25 . 1 . . . . . 81 MET CB . 27591 1 368 . 1 . 1 81 81 MET N N 15 126.630 0.00 . 1 . . . . . 81 MET N . 27591 1 369 . 1 . 1 82 82 PHE H H 1 9.776 0.01 . 1 . . . . . 82 PHE H . 27591 1 370 . 1 . 1 82 82 PHE C C 13 172.692 0.01 . 1 . . . . . 82 PHE C . 27591 1 371 . 1 . 1 82 82 PHE CA C 13 54.840 0.04 . 1 . . . . . 82 PHE CA . 27591 1 372 . 1 . 1 82 82 PHE CB C 13 44.484 0.05 . 1 . . . . . 82 PHE CB . 27591 1 373 . 1 . 1 82 82 PHE N N 15 123.688 0.00 . 1 . . . . . 82 PHE N . 27591 1 374 . 1 . 1 83 83 ARG H H 1 8.021 0.01 . 1 . . . . . 83 ARG H . 27591 1 375 . 1 . 1 83 83 ARG C C 13 170.109 0.01 . 1 . . . . . 83 ARG C . 27591 1 376 . 1 . 1 83 83 ARG CA C 13 53.334 0.03 . 1 . . . . . 83 ARG CA . 27591 1 377 . 1 . 1 83 83 ARG CB C 13 30.087 0.13 . 1 . . . . . 83 ARG CB . 27591 1 378 . 1 . 1 83 83 ARG N N 15 122.270 0.01 . 1 . . . . . 83 ARG N . 27591 1 379 . 1 . 1 84 84 SER H H 1 8.989 0.01 . 1 . . . . . 84 SER H . 27591 1 380 . 1 . 1 84 84 SER C C 13 170.074 0.02 . 1 . . . . . 84 SER C . 27591 1 381 . 1 . 1 84 84 SER CA C 13 53.947 0.09 . 1 . . . . . 84 SER CA . 27591 1 382 . 1 . 1 84 84 SER CB C 13 62.493 0.02 . 1 . . . . . 84 SER CB . 27591 1 383 . 1 . 1 84 84 SER N N 15 110.962 0.00 . 1 . . . . . 84 SER N . 27591 1 384 . 1 . 1 85 85 ASN H H 1 6.677 0.01 . 1 . . . . . 85 ASN H . 27591 1 385 . 1 . 1 85 85 ASN C C 13 171.427 0.01 . 1 . . . . . 85 ASN C . 27591 1 386 . 1 . 1 85 85 ASN CA C 13 50.005 0.04 . 1 . . . . . 85 ASN CA . 27591 1 387 . 1 . 1 85 85 ASN CB C 13 39.702 0.07 . 1 . . . . . 85 ASN CB . 27591 1 388 . 1 . 1 85 85 ASN N N 15 117.620 0.00 . 1 . . . . . 85 ASN N . 27591 1 389 . 1 . 1 86 86 VAL H H 1 8.067 0.01 . 1 . . . . . 86 VAL H . 27591 1 390 . 1 . 1 86 86 VAL C C 13 170.798 0.04 . 1 . . . . . 86 VAL C . 27591 1 391 . 1 . 1 86 86 VAL CA C 13 60.643 0.13 . 1 . . . . . 86 VAL CA . 27591 1 392 . 1 . 1 86 86 VAL CB C 13 29.149 0.11 . 1 . . . . . 86 VAL CB . 27591 1 393 . 1 . 1 86 86 VAL N N 15 124.003 0.00 . 1 . . . . . 86 VAL N . 27591 1 394 . 1 . 1 87 87 SER H H 1 7.644 0.01 . 1 . . . . . 87 SER H . 27591 1 395 . 1 . 1 87 87 SER C C 13 171.228 0.02 . 1 . . . . . 87 SER C . 27591 1 396 . 1 . 1 87 87 SER CA C 13 55.169 0.05 . 1 . . . . . 87 SER CA . 27591 1 397 . 1 . 1 87 87 SER CB C 13 61.094 0.07 . 1 . . . . . 87 SER CB . 27591 1 398 . 1 . 1 87 87 SER N N 15 113.266 0.01 . 1 . . . . . 87 SER N . 27591 1 399 . 1 . 1 88 88 ALA H H 1 6.855 0.01 . 1 . . . . . 88 ALA H . 27591 1 400 . 1 . 1 88 88 ALA C C 13 174.224 0.01 . 1 . . . . . 88 ALA C . 27591 1 401 . 1 . 1 88 88 ALA CA C 13 48.345 0.02 . 1 . . . . . 88 ALA CA . 27591 1 402 . 1 . 1 88 88 ALA CB C 13 18.577 0.08 . 1 . . . . . 88 ALA CB . 27591 1 403 . 1 . 1 88 88 ALA N N 15 124.066 0.00 . 1 . . . . . 88 ALA N . 27591 1 404 . 1 . 1 89 89 GLU H H 1 8.163 0.01 . 1 . . . . . 89 GLU H . 27591 1 405 . 1 . 1 89 89 GLU C C 13 174.056 0.02 . 1 . . . . . 89 GLU C . 27591 1 406 . 1 . 1 89 89 GLU CA C 13 51.780 0.08 . 1 . . . . . 89 GLU CA . 27591 1 407 . 1 . 1 89 89 GLU CB C 13 27.254 0.02 . 1 . . . . . 89 GLU CB . 27591 1 408 . 1 . 1 89 89 GLU N N 15 117.886 0.00 . 1 . . . . . 89 GLU N . 27591 1 409 . 1 . 1 90 90 PHE H H 1 9.126 0.01 . 1 . . . . . 90 PHE H . 27591 1 410 . 1 . 1 90 90 PHE C C 13 173.482 0.01 . 1 . . . . . 90 PHE C . 27591 1 411 . 1 . 1 90 90 PHE CA C 13 57.845 0.05 . 1 . . . . . 90 PHE CA . 27591 1 412 . 1 . 1 90 90 PHE CB C 13 37.737 0.02 . 1 . . . . . 90 PHE CB . 27591 1 413 . 1 . 1 90 90 PHE N N 15 118.583 0.00 . 1 . . . . . 90 PHE N . 27591 1 414 . 1 . 1 91 91 GLN H H 1 9.395 0.01 . 1 . . . . . 91 GLN H . 27591 1 415 . 1 . 1 91 91 GLN CA C 13 51.288 0.12 . 1 . . . . . 91 GLN CA . 27591 1 416 . 1 . 1 91 91 GLN CB C 13 28.989 0.00 . 1 . . . . . 91 GLN CB . 27591 1 417 . 1 . 1 91 91 GLN N N 15 121.602 0.00 . 1 . . . . . 91 GLN N . 27591 1 418 . 1 . 1 92 92 HIS H H 1 8.841 0.00 . 1 . . . . . 92 HIS H . 27591 1 419 . 1 . 1 92 92 HIS C C 13 171.480 0.02 . 1 . . . . . 92 HIS C . 27591 1 420 . 1 . 1 92 92 HIS CA C 13 51.873 0.06 . 1 . . . . . 92 HIS CA . 27591 1 421 . 1 . 1 92 92 HIS CB C 13 27.409 0.09 . 1 . . . . . 92 HIS CB . 27591 1 422 . 1 . 1 92 92 HIS N N 15 123.053 0.00 . 1 . . . . . 92 HIS N . 27591 1 423 . 1 . 1 93 93 LYS H H 1 9.200 0.01 . 1 . . . . . 93 LYS H . 27591 1 424 . 1 . 1 93 93 LYS C C 13 173.149 0.01 . 1 . . . . . 93 LYS C . 27591 1 425 . 1 . 1 93 93 LYS CA C 13 56.197 0.08 . 1 . . . . . 93 LYS CA . 27591 1 426 . 1 . 1 93 93 LYS CB C 13 33.438 0.04 . 1 . . . . . 93 LYS CB . 27591 1 427 . 1 . 1 93 93 LYS N N 15 132.807 0.00 . 1 . . . . . 93 LYS N . 27591 1 428 . 1 . 1 94 94 ARG H H 1 7.578 0.01 . 1 . . . . . 94 ARG H . 27591 1 429 . 1 . 1 94 94 ARG C C 13 172.481 0.02 . 1 . . . . . 94 ARG C . 27591 1 430 . 1 . 1 94 94 ARG CA C 13 52.085 0.05 . 1 . . . . . 94 ARG CA . 27591 1 431 . 1 . 1 94 94 ARG CB C 13 34.195 0.07 . 1 . . . . . 94 ARG CB . 27591 1 432 . 1 . 1 94 94 ARG N N 15 113.381 0.00 . 1 . . . . . 94 ARG N . 27591 1 433 . 1 . 1 95 95 THR H H 1 9.026 0.01 . 1 . . . . . 95 THR H . 27591 1 434 . 1 . 1 95 95 THR C C 13 170.138 0.01 . 1 . . . . . 95 THR C . 27591 1 435 . 1 . 1 95 95 THR CA C 13 59.399 0.12 . 1 . . . . . 95 THR CA . 27591 1 436 . 1 . 1 95 95 THR CB C 13 69.045 0.07 . 1 . . . . . 95 THR CB . 27591 1 437 . 1 . 1 95 95 THR N N 15 116.724 0.00 . 1 . . . . . 95 THR N . 27591 1 438 . 1 . 1 96 96 LEU H H 1 9.058 0.01 . 1 . . . . . 96 LEU H . 27591 1 439 . 1 . 1 96 96 LEU C C 13 171.954 0.00 . 1 . . . . . 96 LEU C . 27591 1 440 . 1 . 1 96 96 LEU CA C 13 51.093 0.06 . 1 . . . . . 96 LEU CA . 27591 1 441 . 1 . 1 96 96 LEU CB C 13 41.916 0.13 . 1 . . . . . 96 LEU CB . 27591 1 442 . 1 . 1 96 96 LEU N N 15 130.244 0.00 . 1 . . . . . 96 LEU N . 27591 1 443 . 1 . 1 97 97 THR H H 1 9.630 0.01 . 1 . . . . . 97 THR H . 27591 1 444 . 1 . 1 97 97 THR C C 13 171.650 0.02 . 1 . . . . . 97 THR C . 27591 1 445 . 1 . 1 97 97 THR CA C 13 60.629 0.12 . 1 . . . . . 97 THR CA . 27591 1 446 . 1 . 1 97 97 THR CB C 13 65.999 0.09 . 1 . . . . . 97 THR CB . 27591 1 447 . 1 . 1 97 97 THR N N 15 128.394 0.00 . 1 . . . . . 97 THR N . 27591 1 448 . 1 . 1 98 98 SER H H 1 9.943 0.01 . 1 . . . . . 98 SER H . 27591 1 449 . 1 . 1 98 98 SER C C 13 172.429 0.01 . 1 . . . . . 98 SER C . 27591 1 450 . 1 . 1 98 98 SER CA C 13 54.485 0.09 . 1 . . . . . 98 SER CA . 27591 1 451 . 1 . 1 98 98 SER CB C 13 63.804 0.05 . 1 . . . . . 98 SER CB . 27591 1 452 . 1 . 1 98 98 SER N N 15 120.145 0.00 . 1 . . . . . 98 SER N . 27591 1 453 . 1 . 1 99 99 ASP H H 1 8.813 0.01 . 1 . . . . . 99 ASP H . 27591 1 454 . 1 . 1 99 99 ASP C C 13 173.536 0.00 . 1 . . . . . 99 ASP C . 27591 1 455 . 1 . 1 99 99 ASP CA C 13 51.864 0.06 . 1 . . . . . 99 ASP CA . 27591 1 456 . 1 . 1 99 99 ASP CB C 13 39.720 0.08 . 1 . . . . . 99 ASP CB . 27591 1 457 . 1 . 1 99 99 ASP N N 15 125.958 0.00 . 1 . . . . . 99 ASP N . 27591 1 458 . 1 . 1 100 100 THR H H 1 8.352 0.01 . 1 . . . . . 100 THR H . 27591 1 459 . 1 . 1 100 100 THR C C 13 172.201 0.00 . 1 . . . . . 100 THR C . 27591 1 460 . 1 . 1 100 100 THR CA C 13 58.613 0.04 . 1 . . . . . 100 THR CA . 27591 1 461 . 1 . 1 100 100 THR CB C 13 68.010 0.13 . 1 . . . . . 100 THR CB . 27591 1 462 . 1 . 1 100 100 THR N N 15 110.301 0.00 . 1 . . . . . 100 THR N . 27591 1 463 . 1 . 1 101 101 LYS H H 1 8.434 0.01 . 1 . . . . . 101 LYS H . 27591 1 464 . 1 . 1 101 101 LYS C C 13 170.642 0.00 . 1 . . . . . 101 LYS C . 27591 1 465 . 1 . 1 101 101 LYS CA C 13 55.982 0.01 . 1 . . . . . 101 LYS CA . 27591 1 466 . 1 . 1 101 101 LYS CB C 13 28.706 0.09 . 1 . . . . . 101 LYS CB . 27591 1 467 . 1 . 1 101 101 LYS N N 15 117.058 0.00 . 1 . . . . . 101 LYS N . 27591 1 468 . 1 . 1 102 102 LEU H H 1 6.854 0.01 . 1 . . . . . 102 LEU H . 27591 1 469 . 1 . 1 102 102 LEU C C 13 172.294 0.01 . 1 . . . . . 102 LEU C . 27591 1 470 . 1 . 1 102 102 LEU CA C 13 50.567 0.07 . 1 . . . . . 102 LEU CA . 27591 1 471 . 1 . 1 102 102 LEU CB C 13 42.908 0.05 . 1 . . . . . 102 LEU CB . 27591 1 472 . 1 . 1 102 102 LEU N N 15 115.788 0.00 . 1 . . . . . 102 LEU N . 27591 1 473 . 1 . 1 103 103 ALA H H 1 7.669 0.01 . 1 . . . . . 103 ALA H . 27591 1 474 . 1 . 1 103 103 ALA C C 13 172.207 0.01 . 1 . . . . . 103 ALA C . 27591 1 475 . 1 . 1 103 103 ALA CA C 13 47.362 0.12 . 1 . . . . . 103 ALA CA . 27591 1 476 . 1 . 1 103 103 ALA CB C 13 18.682 0.16 . 1 . . . . . 103 ALA CB . 27591 1 477 . 1 . 1 103 103 ALA N N 15 119.771 0.00 . 1 . . . . . 103 ALA N . 27591 1 478 . 1 . 1 104 104 GLY H H 1 8.212 0.01 . 1 . . . . . 104 GLY H . 27591 1 479 . 1 . 1 104 104 GLY C C 13 170.337 0.02 . 1 . . . . . 104 GLY C . 27591 1 480 . 1 . 1 104 104 GLY CA C 13 42.010 0.03 . 1 . . . . . 104 GLY CA . 27591 1 481 . 1 . 1 104 104 GLY N N 15 104.375 0.00 . 1 . . . . . 104 GLY N . 27591 1 482 . 1 . 1 105 105 PHE H H 1 9.036 0.01 . 1 . . . . . 105 PHE H . 27591 1 483 . 1 . 1 105 105 PHE C C 13 170.294 0.03 . 1 . . . . . 105 PHE C . 27591 1 484 . 1 . 1 105 105 PHE CA C 13 55.277 0.04 . 1 . . . . . 105 PHE CA . 27591 1 485 . 1 . 1 105 105 PHE CB C 13 42.164 0.07 . 1 . . . . . 105 PHE CB . 27591 1 486 . 1 . 1 105 105 PHE N N 15 122.193 0.00 . 1 . . . . . 105 PHE N . 27591 1 487 . 1 . 1 106 106 MET H H 1 8.171 0.01 . 1 . . . . . 106 MET H . 27591 1 488 . 1 . 1 106 106 MET C C 13 171.591 0.02 . 1 . . . . . 106 MET C . 27591 1 489 . 1 . 1 106 106 MET CA C 13 52.442 0.08 . 1 . . . . . 106 MET CA . 27591 1 490 . 1 . 1 106 106 MET CB C 13 33.664 0.04 . 1 . . . . . 106 MET CB . 27591 1 491 . 1 . 1 106 106 MET N N 15 127.828 0.00 . 1 . . . . . 106 MET N . 27591 1 492 . 1 . 1 107 107 LYS H H 1 9.354 0.01 . 1 . . . . . 107 LYS H . 27591 1 493 . 1 . 1 107 107 LYS C C 13 171.243 0.01 . 1 . . . . . 107 LYS C . 27591 1 494 . 1 . 1 107 107 LYS CA C 13 52.731 0.14 . 1 . . . . . 107 LYS CA . 27591 1 495 . 1 . 1 107 107 LYS CB C 13 29.892 0.09 . 1 . . . . . 107 LYS CB . 27591 1 496 . 1 . 1 107 107 LYS N N 15 126.792 0.01 . 1 . . . . . 107 LYS N . 27591 1 497 . 1 . 1 108 108 PHE H H 1 8.965 0.01 . 1 . . . . . 108 PHE H . 27591 1 498 . 1 . 1 108 108 PHE C C 13 171.591 0.00 . 1 . . . . . 108 PHE C . 27591 1 499 . 1 . 1 108 108 PHE CA C 13 55.100 0.08 . 1 . . . . . 108 PHE CA . 27591 1 500 . 1 . 1 108 108 PHE CB C 13 38.605 0.00 . 1 . . . . . 108 PHE CB . 27591 1 501 . 1 . 1 108 108 PHE N N 15 125.037 0.00 . 1 . . . . . 108 PHE N . 27591 1 502 . 1 . 1 109 109 TYR C C 13 172.822 0.00 . 1 . . . . . 109 TYR C . 27591 1 503 . 1 . 1 109 109 TYR CA C 13 52.683 0.00 . 1 . . . . . 109 TYR CA . 27591 1 504 . 1 . 1 109 109 TYR CB C 13 37.276 0.00 . 1 . . . . . 109 TYR CB . 27591 1 505 . 1 . 1 110 110 ASN H H 1 8.841 0.00 . 1 . . . . . 110 ASN H . 27591 1 506 . 1 . 1 110 110 ASN C C 13 170.197 0.00 . 1 . . . . . 110 ASN C . 27591 1 507 . 1 . 1 110 110 ASN CA C 13 51.713 0.01 . 1 . . . . . 110 ASN CA . 27591 1 508 . 1 . 1 110 110 ASN CB C 13 35.48 2.90 . 1 . . . . . 110 ASN CB . 27591 1 509 . 1 . 1 110 110 ASN N N 15 123.024 0.00 . 1 . . . . . 110 ASN N . 27591 1 510 . 1 . 1 111 111 SER H H 1 7.600 0.01 . 1 . . . . . 111 SER H . 27591 1 511 . 1 . 1 111 111 SER C C 13 168.466 0.01 . 1 . . . . . 111 SER C . 27591 1 512 . 1 . 1 111 111 SER CA C 13 55.131 0.07 . 1 . . . . . 111 SER CA . 27591 1 513 . 1 . 1 111 111 SER CB C 13 65.398 0.02 . 1 . . . . . 111 SER CB . 27591 1 514 . 1 . 1 111 111 SER N N 15 110.708 0.00 . 1 . . . . . 111 SER N . 27591 1 515 . 1 . 1 112 112 VAL H H 1 8.324 0.01 . 1 . . . . . 112 VAL H . 27591 1 516 . 1 . 1 112 112 VAL C C 13 172.701 0.01 . 1 . . . . . 112 VAL C . 27591 1 517 . 1 . 1 112 112 VAL CA C 13 57.012 0.05 . 1 . . . . . 112 VAL CA . 27591 1 518 . 1 . 1 112 112 VAL CB C 13 30.583 0.09 . 1 . . . . . 112 VAL CB . 27591 1 519 . 1 . 1 112 112 VAL N N 15 116.440 0.00 . 1 . . . . . 112 VAL N . 27591 1 520 . 1 . 1 113 113 TRP H H 1 9.587 0.01 . 1 . . . . . 113 TRP H . 27591 1 521 . 1 . 1 113 113 TRP C C 13 171.634 0.02 . 1 . . . . . 113 TRP C . 27591 1 522 . 1 . 1 113 113 TRP CA C 13 53.692 0.12 . 1 . . . . . 113 TRP CA . 27591 1 523 . 1 . 1 113 113 TRP CB C 13 28.741 0.07 . 1 . . . . . 113 TRP CB . 27591 1 524 . 1 . 1 113 113 TRP N N 15 128.725 0.00 . 1 . . . . . 113 TRP N . 27591 1 525 . 1 . 1 114 114 THR H H 1 8.528 0.01 . 1 . . . . . 114 THR H . 27591 1 526 . 1 . 1 114 114 THR C C 13 170.894 0.02 . 1 . . . . . 114 THR C . 27591 1 527 . 1 . 1 114 114 THR CA C 13 56.326 0.16 . 1 . . . . . 114 THR CA . 27591 1 528 . 1 . 1 114 114 THR CB C 13 69.878 0.18 . 1 . . . . . 114 THR CB . 27591 1 529 . 1 . 1 114 114 THR N N 15 110.495 0.00 . 1 . . . . . 114 THR N . 27591 1 530 . 1 . 1 115 115 PHE H H 1 9.352 0.01 . 1 . . . . . 115 PHE H . 27591 1 531 . 1 . 1 115 115 PHE C C 13 172.728 0.00 . 1 . . . . . 115 PHE C . 27591 1 532 . 1 . 1 115 115 PHE CA C 13 54.533 0.07 . 1 . . . . . 115 PHE CA . 27591 1 533 . 1 . 1 115 115 PHE CB C 13 40.550 0.02 . 1 . . . . . 115 PHE CB . 27591 1 534 . 1 . 1 115 115 PHE N N 15 117.081 0.00 . 1 . . . . . 115 PHE N . 27591 1 535 . 1 . 1 116 116 HIS H H 1 9.700 0.01 . 1 . . . . . 116 HIS H . 27591 1 536 . 1 . 1 116 116 HIS C C 13 170.120 0.01 . 1 . . . . . 116 HIS C . 27591 1 537 . 1 . 1 116 116 HIS CA C 13 52.775 0.06 . 1 . . . . . 116 HIS CA . 27591 1 538 . 1 . 1 116 116 HIS CB C 13 31.699 0.08 . 1 . . . . . 116 HIS CB . 27591 1 539 . 1 . 1 116 116 HIS N N 15 115.570 0.00 . 1 . . . . . 116 HIS N . 27591 1 540 . 1 . 1 117 117 GLY H H 1 8.686 0.01 . 1 . . . . . 117 GLY H . 27591 1 541 . 1 . 1 117 117 GLY C C 13 170.216 0.05 . 1 . . . . . 117 GLY C . 27591 1 542 . 1 . 1 117 117 GLY CA C 13 40.929 0.08 . 1 . . . . . 117 GLY CA . 27591 1 543 . 1 . 1 117 117 GLY N N 15 106.359 0.00 . 1 . . . . . 117 GLY N . 27591 1 544 . 1 . 1 118 118 GLU H H 1 8.702 0.01 . 1 . . . . . 118 GLU H . 27591 1 545 . 1 . 1 118 118 GLU C C 13 174.419 0.01 . 1 . . . . . 118 GLU C . 27591 1 546 . 1 . 1 118 118 GLU CA C 13 51.027 0.03 . 1 . . . . . 118 GLU CA . 27591 1 547 . 1 . 1 118 118 GLU CB C 13 28.794 0.05 . 1 . . . . . 118 GLU CB . 27591 1 548 . 1 . 1 118 118 GLU N N 15 122.823 0.00 . 1 . . . . . 118 GLU N . 27591 1 549 . 1 . 1 119 119 THR H H 1 8.817 0.01 . 1 . . . . . 119 THR H . 27591 1 550 . 1 . 1 119 119 THR C C 13 169.927 0.00 . 1 . . . . . 119 THR C . 27591 1 551 . 1 . 1 119 119 THR CA C 13 58.579 0.11 . 1 . . . . . 119 THR CA . 27591 1 552 . 1 . 1 119 119 THR CB C 13 65.167 0.00 . 1 . . . . . 119 THR CB . 27591 1 553 . 1 . 1 119 119 THR N N 15 118.600 0.00 . 1 . . . . . 119 THR N . 27591 1 554 . 1 . 1 120 120 PRO C C 13 172.822 0.00 . 1 . . . . . 120 PRO C . 27591 1 555 . 1 . 1 120 120 PRO CA C 13 61.18 0.11 . 1 . . . . . 120 PRO CA . 27591 1 556 . 1 . 1 120 120 PRO CB C 13 37.250 0.13 . 1 . . . . . 120 PRO CB . 27591 1 557 . 1 . 1 121 121 HIS H H 1 8.842 0.01 . 1 . . . . . 121 HIS H . 27591 1 558 . 1 . 1 121 121 HIS C C 13 172.827 0.05 . 1 . . . . . 121 HIS C . 27591 1 559 . 1 . 1 121 121 HIS CA C 13 51.882 0.09 . 1 . . . . . 121 HIS CA . 27591 1 560 . 1 . 1 121 121 HIS CB C 13 27.615 0.07 . 1 . . . . . 121 HIS CB . 27591 1 561 . 1 . 1 121 121 HIS N N 15 123.029 0.01 . 1 . . . . . 121 HIS N . 27591 1 562 . 1 . 1 122 122 ALA H H 1 9.347 0.01 . 1 . . . . . 122 ALA H . 27591 1 563 . 1 . 1 122 122 ALA C C 13 175.892 0.00 . 1 . . . . . 122 ALA C . 27591 1 564 . 1 . 1 122 122 ALA CA C 13 50.708 0.04 . 1 . . . . . 122 ALA CA . 27591 1 565 . 1 . 1 122 122 ALA CB C 13 16.983 0.04 . 1 . . . . . 122 ALA CB . 27591 1 566 . 1 . 1 122 122 ALA N N 15 126.782 0.00 . 1 . . . . . 122 ALA N . 27591 1 567 . 1 . 1 123 123 THR H H 1 8.560 0.01 . 1 . . . . . 123 THR H . 27591 1 568 . 1 . 1 123 123 THR C C 13 170.543 0.03 . 1 . . . . . 123 THR C . 27591 1 569 . 1 . 1 123 123 THR CA C 13 57.163 0.07 . 1 . . . . . 123 THR CA . 27591 1 570 . 1 . 1 123 123 THR CB C 13 69.063 0.07 . 1 . . . . . 123 THR CB . 27591 1 571 . 1 . 1 123 123 THR N N 15 113.316 0.00 . 1 . . . . . 123 THR N . 27591 1 572 . 1 . 1 124 124 THR H H 1 8.028 0.01 . 1 . . . . . 124 THR H . 27591 1 573 . 1 . 1 124 124 THR C C 13 172.716 0.02 . 1 . . . . . 124 THR C . 27591 1 574 . 1 . 1 124 124 THR CA C 13 57.424 0.10 . 1 . . . . . 124 THR CA . 27591 1 575 . 1 . 1 124 124 THR CB C 13 69.364 0.04 . 1 . . . . . 124 THR CB . 27591 1 576 . 1 . 1 124 124 THR N N 15 109.507 0.00 . 1 . . . . . 124 THR N . 27591 1 577 . 1 . 1 125 125 ASP H H 1 9.217 0.01 . 1 . . . . . 125 ASP H . 27591 1 578 . 1 . 1 125 125 ASP C C 13 170.777 0.01 . 1 . . . . . 125 ASP C . 27591 1 579 . 1 . 1 125 125 ASP CA C 13 50.695 0.04 . 1 . . . . . 125 ASP CA . 27591 1 580 . 1 . 1 125 125 ASP CB C 13 41.792 0.11 . 1 . . . . . 125 ASP CB . 27591 1 581 . 1 . 1 125 125 ASP N N 15 118.987 0.00 . 1 . . . . . 125 ASP N . 27591 1 582 . 1 . 1 126 126 TYR H H 1 7.869 0.01 . 1 . . . . . 126 TYR H . 27591 1 583 . 1 . 1 126 126 TYR C C 13 173.446 0.01 . 1 . . . . . 126 TYR C . 27591 1 584 . 1 . 1 126 126 TYR CA C 13 52.475 0.05 . 1 . . . . . 126 TYR CA . 27591 1 585 . 1 . 1 126 126 TYR CB C 13 37.702 0.04 . 1 . . . . . 126 TYR CB . 27591 1 586 . 1 . 1 126 126 TYR N N 15 113.310 0.00 . 1 . . . . . 126 TYR N . 27591 1 587 . 1 . 1 127 127 SER H H 1 8.409 0.01 . 1 . . . . . 127 SER H . 27591 1 588 . 1 . 1 127 127 SER C C 13 170.431 0.00 . 1 . . . . . 127 SER C . 27591 1 589 . 1 . 1 127 127 SER CA C 13 54.888 0.03 . 1 . . . . . 127 SER CA . 27591 1 590 . 1 . 1 127 127 SER CB C 13 62.352 0.00 . 1 . . . . . 127 SER CB . 27591 1 591 . 1 . 1 127 127 SER N N 15 116.927 0.00 . 1 . . . . . 127 SER N . 27591 1 592 . 1 . 1 128 128 SER C C 13 169.259 0.00 . 1 . . . . . 128 SER C . 27591 1 593 . 1 . 1 128 128 SER CA C 13 56.535 0.13 . 1 . . . . . 128 SER CA . 27591 1 594 . 1 . 1 128 128 SER CB C 13 61.873 0.05 . 1 . . . . . 128 SER CB . 27591 1 595 . 1 . 1 129 129 THR H H 1 8.009 0.01 . 1 . . . . . 129 THR H . 27591 1 596 . 1 . 1 129 129 THR C C 13 170.238 0.02 . 1 . . . . . 129 THR C . 27591 1 597 . 1 . 1 129 129 THR CA C 13 56.601 0.09 . 1 . . . . . 129 THR CA . 27591 1 598 . 1 . 1 129 129 THR CB C 13 65.716 0.11 . 1 . . . . . 129 THR CB . 27591 1 599 . 1 . 1 129 129 THR N N 15 114.194 0.00 . 1 . . . . . 129 THR N . 27591 1 600 . 1 . 1 130 130 SER H H 1 9.770 0.01 . 1 . . . . . 130 SER H . 27591 1 601 . 1 . 1 130 130 SER C C 13 171.439 0.00 . 1 . . . . . 130 SER C . 27591 1 602 . 1 . 1 130 130 SER CA C 13 56.025 0.03 . 1 . . . . . 130 SER CA . 27591 1 603 . 1 . 1 130 130 SER CB C 13 61.377 0.07 . 1 . . . . . 130 SER CB . 27591 1 604 . 1 . 1 130 130 SER N N 15 125.961 0.00 . 1 . . . . . 130 SER N . 27591 1 605 . 1 . 1 131 131 ASN H H 1 9.104 0.01 . 1 . . . . . 131 ASN H . 27591 1 606 . 1 . 1 131 131 ASN C C 13 172.827 0.01 . 1 . . . . . 131 ASN C . 27591 1 607 . 1 . 1 131 131 ASN CA C 13 48.757 0.08 . 1 . . . . . 131 ASN CA . 27591 1 608 . 1 . 1 131 131 ASN CB C 13 36.427 0.08 . 1 . . . . . 131 ASN CB . 27591 1 609 . 1 . 1 131 131 ASN N N 15 124.103 0.00 . 1 . . . . . 131 ASN N . 27591 1 610 . 1 . 1 132 132 LEU H H 1 8.706 0.01 . 1 . . . . . 132 LEU H . 27591 1 611 . 1 . 1 132 132 LEU CA C 13 54.941 0.03 . 1 . . . . . 132 LEU CA . 27591 1 612 . 1 . 1 132 132 LEU CB C 13 40.145 0.00 . 1 . . . . . 132 LEU CB . 27591 1 613 . 1 . 1 132 132 LEU N N 15 124.681 0.00 . 1 . . . . . 132 LEU N . 27591 1 614 . 1 . 1 133 133 SER C C 13 173.255 0.00 . 1 . . . . . 133 SER C . 27591 1 615 . 1 . 1 133 133 SER CA C 13 58.952 0.10 . 1 . . . . . 133 SER CA . 27591 1 616 . 1 . 1 133 133 SER CB C 13 59.987 0.08 . 1 . . . . . 133 SER CB . 27591 1 617 . 1 . 1 134 134 GLU H H 1 6.420 0.01 . 1 . . . . . 134 GLU H . 27591 1 618 . 1 . 1 134 134 GLU C C 13 173.560 0.01 . 1 . . . . . 134 GLU C . 27591 1 619 . 1 . 1 134 134 GLU CA C 13 52.749 0.04 . 1 . . . . . 134 GLU CA . 27591 1 620 . 1 . 1 134 134 GLU CB C 13 26.970 0.13 . 1 . . . . . 134 GLU CB . 27591 1 621 . 1 . 1 134 134 GLU N N 15 114.497 0.00 . 1 . . . . . 134 GLU N . 27591 1 622 . 1 . 1 135 135 VAL H H 1 7.686 0.01 . 1 . . . . . 135 VAL H . 27591 1 623 . 1 . 1 135 135 VAL C C 13 171.259 0.02 . 1 . . . . . 135 VAL C . 27591 1 624 . 1 . 1 135 135 VAL CA C 13 62.011 0.11 . 1 . . . . . 135 VAL CA . 27591 1 625 . 1 . 1 135 135 VAL CB C 13 28.334 0.11 . 1 . . . . . 135 VAL CB . 27591 1 626 . 1 . 1 135 135 VAL N N 15 117.718 0.00 . 1 . . . . . 135 VAL N . 27591 1 627 . 1 . 1 136 136 GLU H H 1 8.471 0.01 . 1 . . . . . 136 GLU H . 27591 1 628 . 1 . 1 136 136 GLU C C 13 171.954 0.00 . 1 . . . . . 136 GLU C . 27591 1 629 . 1 . 1 136 136 GLU CA C 13 52.019 0.08 . 1 . . . . . 136 GLU CA . 27591 1 630 . 1 . 1 136 136 GLU CB C 13 30.370 0.13 . 1 . . . . . 136 GLU CB . 27591 1 631 . 1 . 1 136 136 GLU N N 15 131.632 0.00 . 1 . . . . . 136 GLU N . 27591 1 632 . 1 . 1 137 137 THR H H 1 8.813 0.01 . 1 . . . . . 137 THR H . 27591 1 633 . 1 . 1 137 137 THR C C 13 171.974 0.01 . 1 . . . . . 137 THR C . 27591 1 634 . 1 . 1 137 137 THR CA C 13 55.286 0.07 . 1 . . . . . 137 THR CA . 27591 1 635 . 1 . 1 137 137 THR CB C 13 67.912 0.02 . 1 . . . . . 137 THR CB . 27591 1 636 . 1 . 1 137 137 THR N N 15 109.204 0.00 . 1 . . . . . 137 THR N . 27591 1 637 . 1 . 1 138 138 VAL H H 1 9.014 0.01 . 1 . . . . . 138 VAL H . 27591 1 638 . 1 . 1 138 138 VAL C C 13 171.857 0.02 . 1 . . . . . 138 VAL C . 27591 1 639 . 1 . 1 138 138 VAL CA C 13 60.452 0.04 . 1 . . . . . 138 VAL CA . 27591 1 640 . 1 . 1 138 138 VAL CB C 13 29.414 0.15 . 1 . . . . . 138 VAL CB . 27591 1 641 . 1 . 1 138 138 VAL N N 15 126.379 0.00 . 1 . . . . . 138 VAL N . 27591 1 642 . 1 . 1 139 139 ILE H H 1 8.584 0.01 . 1 . . . . . 139 ILE H . 27591 1 643 . 1 . 1 139 139 ILE C C 13 173.486 0.01 . 1 . . . . . 139 ILE C . 27591 1 644 . 1 . 1 139 139 ILE CA C 13 58.553 0.09 . 1 . . . . . 139 ILE CA . 27591 1 645 . 1 . 1 139 139 ILE CB C 13 35.895 0.05 . 1 . . . . . 139 ILE CB . 27591 1 646 . 1 . 1 139 139 ILE N N 15 127.538 0.00 . 1 . . . . . 139 ILE N . 27591 1 647 . 1 . 1 140 140 HIS H H 1 7.739 0.01 . 1 . . . . . 140 HIS H . 27591 1 648 . 1 . 1 140 140 HIS C C 13 170.952 0.03 . 1 . . . . . 140 HIS C . 27591 1 649 . 1 . 1 140 140 HIS CA C 13 54.921 0.08 . 1 . . . . . 140 HIS CA . 27591 1 650 . 1 . 1 140 140 HIS CB C 13 30.291 0.03 . 1 . . . . . 140 HIS CB . 27591 1 651 . 1 . 1 140 140 HIS N N 15 124.684 0.00 . 1 . . . . . 140 HIS N . 27591 1 652 . 1 . 1 141 141 VAL H H 1 7.030 0.01 . 1 . . . . . 141 VAL H . 27591 1 653 . 1 . 1 141 141 VAL C C 13 170.361 0.01 . 1 . . . . . 141 VAL C . 27591 1 654 . 1 . 1 141 141 VAL CA C 13 54.702 0.05 . 1 . . . . . 141 VAL CA . 27591 1 655 . 1 . 1 141 141 VAL CB C 13 32.672 0.09 . 1 . . . . . 141 VAL CB . 27591 1 656 . 1 . 1 141 141 VAL N N 15 108.458 0.00 . 1 . . . . . 141 VAL N . 27591 1 657 . 1 . 1 142 142 GLU H H 1 8.182 0.01 . 1 . . . . . 142 GLU H . 27591 1 658 . 1 . 1 142 142 GLU C C 13 173.490 0.00 . 1 . . . . . 142 GLU C . 27591 1 659 . 1 . 1 142 142 GLU CA C 13 54.144 0.07 . 1 . . . . . 142 GLU CA . 27591 1 660 . 1 . 1 142 142 GLU CB C 13 28.370 0.02 . 1 . . . . . 142 GLU CB . 27591 1 661 . 1 . 1 142 142 GLU N N 15 118.745 0.00 . 1 . . . . . 142 GLU N . 27591 1 662 . 1 . 1 143 143 PHE H H 1 8.199 0.01 . 1 . . . . . 143 PHE H . 27591 1 663 . 1 . 1 143 143 PHE C C 13 169.822 0.02 . 1 . . . . . 143 PHE C . 27591 1 664 . 1 . 1 143 143 PHE CA C 13 52.497 0.03 . 1 . . . . . 143 PHE CA . 27591 1 665 . 1 . 1 143 143 PHE CB C 13 40.145 0.16 . 1 . . . . . 143 PHE CB . 27591 1 666 . 1 . 1 143 143 PHE N N 15 116.092 0.00 . 1 . . . . . 143 PHE N . 27591 1 667 . 1 . 1 144 144 TYR H H 1 9.335 0.01 . 1 . . . . . 144 TYR H . 27591 1 668 . 1 . 1 144 144 TYR C C 13 172.312 0.01 . 1 . . . . . 144 TYR C . 27591 1 669 . 1 . 1 144 144 TYR CA C 13 52.979 0.11 . 1 . . . . . 144 TYR CA . 27591 1 670 . 1 . 1 144 144 TYR CB C 13 40.482 0.02 . 1 . . . . . 144 TYR CB . 27591 1 671 . 1 . 1 144 144 TYR N N 15 117.253 0.00 . 1 . . . . . 144 TYR N . 27591 1 672 . 1 . 1 145 145 ILE H H 1 9.279 0.01 . 1 . . . . . 145 ILE H . 27591 1 673 . 1 . 1 145 145 ILE C C 13 173.700 0.03 . 1 . . . . . 145 ILE C . 27591 1 674 . 1 . 1 145 145 ILE CA C 13 58.009 0.14 . 1 . . . . . 145 ILE CA . 27591 1 675 . 1 . 1 145 145 ILE CB C 13 37.932 0.05 . 1 . . . . . 145 ILE CB . 27591 1 676 . 1 . 1 145 145 ILE N N 15 120.404 0.00 . 1 . . . . . 145 ILE N . 27591 1 677 . 1 . 1 146 146 ILE H H 1 9.660 0.01 . 1 . . . . . 146 ILE H . 27591 1 678 . 1 . 1 146 146 ILE C C 13 170.595 0.00 . 1 . . . . . 146 ILE C . 27591 1 679 . 1 . 1 146 146 ILE CA C 13 55.671 0.01 . 1 . . . . . 146 ILE CA . 27591 1 680 . 1 . 1 146 146 ILE CB C 13 41.633 0.00 . 1 . . . . . 146 ILE CB . 27591 1 681 . 1 . 1 146 146 ILE N N 15 127.981 0.00 . 1 . . . . . 146 ILE N . 27591 1 682 . 1 . 1 148 148 ARG C C 13 173.184 0.02 . 1 . . . . . 148 ARG C . 27591 1 683 . 1 . 1 148 148 ARG CA C 13 62.385 0.02 . 1 . . . . . 148 ARG CA . 27591 1 684 . 1 . 1 148 148 ARG CB C 13 29.786 0.05 . 1 . . . . . 148 ARG CB . 27591 1 685 . 1 . 1 149 149 SER H H 1 7.719 0.01 . 1 . . . . . 149 SER H . 27591 1 686 . 1 . 1 149 149 SER C C 13 168.228 0.02 . 1 . . . . . 149 SER C . 27591 1 687 . 1 . 1 149 149 SER CA C 13 57.837 0.18 . 1 . . . . . 149 SER CA . 27591 1 688 . 1 . 1 149 149 SER CB C 13 66.000 0.20 . 1 . . . . . 149 SER CB . 27591 1 689 . 1 . 1 149 149 SER N N 15 115.964 0.00 . 1 . . . . . 149 SER N . 27591 1 690 . 1 . 1 150 150 GLN H H 1 7.938 0.01 . 1 . . . . . 150 GLN H . 27591 1 691 . 1 . 1 150 150 GLN C C 13 173.431 0.02 . 1 . . . . . 150 GLN C . 27591 1 692 . 1 . 1 150 150 GLN CA C 13 51.443 0.05 . 1 . . . . . 150 GLN CA . 27591 1 693 . 1 . 1 150 150 GLN CB C 13 24.668 0.07 . 1 . . . . . 150 GLN CB . 27591 1 694 . 1 . 1 150 150 GLN N N 15 120.827 0.00 . 1 . . . . . 150 GLN N . 27591 1 695 . 1 . 1 151 151 GLU H H 1 7.786 0.01 . 1 . . . . . 151 GLU H . 27591 1 696 . 1 . 1 151 151 GLU C C 13 174.345 0.00 . 1 . . . . . 151 GLU C . 27591 1 697 . 1 . 1 151 151 GLU CA C 13 57.968 0.03 . 1 . . . . . 151 GLU CA . 27591 1 698 . 1 . 1 151 151 GLU CB C 13 27.820 0.00 . 1 . . . . . 151 GLU CB . 27591 1 699 . 1 . 1 151 151 GLU N N 15 122.561 0.00 . 1 . . . . . 151 GLU N . 27591 1 700 . 1 . 1 152 152 SER C C 13 174.415 0.00 . 1 . . . . . 152 SER C . 27591 1 701 . 1 . 1 152 152 SER CA C 13 58.971 0.06 . 1 . . . . . 152 SER CA . 27591 1 702 . 1 . 1 153 153 LYS H H 1 7.227 0.01 . 1 . . . . . 153 LYS H . 27591 1 703 . 1 . 1 153 153 LYS C C 13 174.033 0.01 . 1 . . . . . 153 LYS C . 27591 1 704 . 1 . 1 153 153 LYS CA C 13 54.232 0.13 . 1 . . . . . 153 LYS CA . 27591 1 705 . 1 . 1 153 153 LYS CB C 13 28.192 0.11 . 1 . . . . . 153 LYS CB . 27591 1 706 . 1 . 1 153 153 LYS N N 15 122.973 0.00 . 1 . . . . . 153 LYS N . 27591 1 707 . 1 . 1 154 154 CYS H H 1 7.501 0.01 . 1 . . . . . 154 CYS H . 27591 1 708 . 1 . 1 154 154 CYS C C 13 172.654 0.02 . 1 . . . . . 154 CYS C . 27591 1 709 . 1 . 1 154 154 CYS CA C 13 59.568 0.05 . 1 . . . . . 154 CYS CA . 27591 1 710 . 1 . 1 154 154 CYS CB C 13 23.074 0.14 . 1 . . . . . 154 CYS CB . 27591 1 711 . 1 . 1 154 154 CYS N N 15 117.778 0.00 . 1 . . . . . 154 CYS N . 27591 1 712 . 1 . 1 155 155 SER H H 1 8.456 0.01 . 1 . . . . . 155 SER H . 27591 1 713 . 1 . 1 155 155 SER C C 13 173.747 0.00 . 1 . . . . . 155 SER C . 27591 1 714 . 1 . 1 155 155 SER CA C 13 58.341 0.06 . 1 . . . . . 155 SER CA . 27591 1 715 . 1 . 1 155 155 SER CB C 13 59.882 0.03 . 1 . . . . . 155 SER CB . 27591 1 716 . 1 . 1 155 155 SER N N 15 110.648 0.00 . 1 . . . . . 155 SER N . 27591 1 717 . 1 . 1 156 156 GLU H H 1 7.421 0.01 . 1 . . . . . 156 GLU H . 27591 1 718 . 1 . 1 156 156 GLU C C 13 176.829 0.01 . 1 . . . . . 156 GLU C . 27591 1 719 . 1 . 1 156 156 GLU CA C 13 56.946 0.06 . 1 . . . . . 156 GLU CA . 27591 1 720 . 1 . 1 156 156 GLU CB C 13 26.439 0.09 . 1 . . . . . 156 GLU CB . 27591 1 721 . 1 . 1 156 156 GLU N N 15 121.955 0.00 . 1 . . . . . 156 GLU N . 27591 1 722 . 1 . 1 157 157 TYR H H 1 8.024 0.01 . 1 . . . . . 157 TYR H . 27591 1 723 . 1 . 1 157 157 TYR C C 13 175.728 0.01 . 1 . . . . . 157 TYR C . 27591 1 724 . 1 . 1 157 157 TYR CA C 13 56.402 0.06 . 1 . . . . . 157 TYR CA . 27591 1 725 . 1 . 1 157 157 TYR CB C 13 34.124 0.07 . 1 . . . . . 157 TYR CB . 27591 1 726 . 1 . 1 157 157 TYR N N 15 121.324 0.00 . 1 . . . . . 157 TYR N . 27591 1 727 . 1 . 1 158 158 ILE H H 1 8.101 0.01 . 1 . . . . . 158 ILE H . 27591 1 728 . 1 . 1 158 158 ILE C C 13 176.013 0.02 . 1 . . . . . 158 ILE C . 27591 1 729 . 1 . 1 158 158 ILE CA C 13 60.386 0.07 . 1 . . . . . 158 ILE CA . 27591 1 730 . 1 . 1 158 158 ILE CB C 13 32.956 0.09 . 1 . . . . . 158 ILE CB . 27591 1 731 . 1 . 1 158 158 ILE N N 15 118.093 0.00 . 1 . . . . . 158 ILE N . 27591 1 732 . 1 . 1 159 159 ASN H H 1 7.968 0.01 . 1 . . . . . 159 ASN H . 27591 1 733 . 1 . 1 159 159 ASN C C 13 173.845 0.01 . 1 . . . . . 159 ASN C . 27591 1 734 . 1 . 1 159 159 ASN CA C 13 54.051 0.08 . 1 . . . . . 159 ASN CA . 27591 1 735 . 1 . 1 159 159 ASN CB C 13 38.056 0.07 . 1 . . . . . 159 ASN CB . 27591 1 736 . 1 . 1 159 159 ASN N N 15 115.111 0.00 . 1 . . . . . 159 ASN N . 27591 1 737 . 1 . 1 160 160 THR H H 1 8.756 0.01 . 1 . . . . . 160 THR H . 27591 1 738 . 1 . 1 160 160 THR C C 13 172.294 0.00 . 1 . . . . . 160 THR C . 27591 1 739 . 1 . 1 160 160 THR CA C 13 59.743 0.04 . 1 . . . . . 160 THR CA . 27591 1 740 . 1 . 1 160 160 THR CB C 13 68.461 0.23 . 1 . . . . . 160 THR CB . 27591 1 741 . 1 . 1 160 160 THR N N 15 109.023 0.00 . 1 . . . . . 160 THR N . 27591 1 742 . 1 . 1 161 161 GLY H H 1 8.613 0.01 . 1 . . . . . 161 GLY H . 27591 1 743 . 1 . 1 161 161 GLY C C 13 169.763 0.01 . 1 . . . . . 161 GLY C . 27591 1 744 . 1 . 1 161 161 GLY CA C 13 42.084 0.07 . 1 . . . . . 161 GLY CA . 27591 1 745 . 1 . 1 161 161 GLY N N 15 114.989 0.00 . 1 . . . . . 161 GLY N . 27591 1 746 . 1 . 1 162 162 LEU H H 1 7.499 0.01 . 1 . . . . . 162 LEU H . 27591 1 747 . 1 . 1 162 162 LEU C C 13 168.158 0.00 . 1 . . . . . 162 LEU C . 27591 1 748 . 1 . 1 162 162 LEU CA C 13 54.303 0.13 . 1 . . . . . 162 LEU CA . 27591 1 749 . 1 . 1 162 162 LEU N N 15 123.891 0.00 . 1 . . . . . 162 LEU N . 27591 1 stop_ save_