data_26806 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26806 _Entry.Title ; Chemical Shift Assignment of Tom1 VHS Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-05-23 _Entry.Accession_date 2016-05-23 _Entry.Last_release_date 2016-10-13 _Entry.Original_release_date 2016-10-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Daniel Capelluto . . . . 26806 2 Narasimhamurthy Shanaiah . . . . 26806 3 Jeffrey Ellena . . . . 26806 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26806 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 380 26806 '15N chemical shifts' 124 26806 '1H chemical shifts' 124 26806 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 . . 2017-03-15 2016-05-23 update BMRB 'update entry citation' 26806 1 . . 2016-10-13 2016-05-23 original author 'original release' 26806 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1ELK 'Crystal Structure of Tom1 VHS Domain' 26806 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26806 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27704363 _Citation.Full_citation . _Citation.Title ; Backbone 1H, 15N, and 13C resonance assignments of the Tom1 VHS domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1 _Citation.Page_last 4 _Citation.Year 2017 _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 Jeffrey Ellena . . . . 26806 1 2 Wen Xiong . . . . 26806 1 3 Xiaolin Zhao . . . . 26806 1 4 Narasimhamurthy Shanaiah . . . . 26806 1 5 Daniel Capelluto . . . . 26806 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26806 _Assembly.ID 1 _Assembly.Name Tom1-VHS _Assembly.BMRB_code . _Assembly.Number_of_components . _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 . _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 Tom1-VHS 1 $Tom1-VHS A . yes native no no . . . 26806 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1ELK . . X-ray . . . 26806 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Tom1-VHS _Entity.Sf_category entity _Entity.Sf_framecode Tom1-VHS _Entity.Entry_ID 26806 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Tom1-VHS _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 ; SPVGQRIEKATDGSLQSEDW ALNMEICDIINETEEGPKDA LRAVKKRIVGNKNFHEVMLA LTVLETCVKNCGHRFHVLVA SQDFVESVLVRTILPKNNPP TIVHDKVLNLIQSWADAFRS SPDLTGVVTIYEDLRRKGL ; _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 139 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15563.88 _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 11 SER . 26806 1 2 12 PRO . 26806 1 3 13 VAL . 26806 1 4 14 GLY . 26806 1 5 15 GLN . 26806 1 6 16 ARG . 26806 1 7 17 ILE . 26806 1 8 18 GLU . 26806 1 9 19 LYS . 26806 1 10 20 ALA . 26806 1 11 21 THR . 26806 1 12 22 ASP . 26806 1 13 23 GLY . 26806 1 14 24 SER . 26806 1 15 25 LEU . 26806 1 16 26 GLN . 26806 1 17 27 SER . 26806 1 18 28 GLU . 26806 1 19 29 ASP . 26806 1 20 30 TRP . 26806 1 21 31 ALA . 26806 1 22 32 LEU . 26806 1 23 33 ASN . 26806 1 24 34 MET . 26806 1 25 35 GLU . 26806 1 26 36 ILE . 26806 1 27 37 CYS . 26806 1 28 38 ASP . 26806 1 29 39 ILE . 26806 1 30 40 ILE . 26806 1 31 41 ASN . 26806 1 32 42 GLU . 26806 1 33 43 THR . 26806 1 34 44 GLU . 26806 1 35 45 GLU . 26806 1 36 46 GLY . 26806 1 37 47 PRO . 26806 1 38 48 LYS . 26806 1 39 49 ASP . 26806 1 40 50 ALA . 26806 1 41 51 LEU . 26806 1 42 52 ARG . 26806 1 43 53 ALA . 26806 1 44 54 VAL . 26806 1 45 55 LYS . 26806 1 46 56 LYS . 26806 1 47 57 ARG . 26806 1 48 58 ILE . 26806 1 49 59 VAL . 26806 1 50 60 GLY . 26806 1 51 61 ASN . 26806 1 52 62 LYS . 26806 1 53 63 ASN . 26806 1 54 64 PHE . 26806 1 55 65 HIS . 26806 1 56 66 GLU . 26806 1 57 67 VAL . 26806 1 58 68 MET . 26806 1 59 69 LEU . 26806 1 60 70 ALA . 26806 1 61 71 LEU . 26806 1 62 72 THR . 26806 1 63 73 VAL . 26806 1 64 74 LEU . 26806 1 65 75 GLU . 26806 1 66 76 THR . 26806 1 67 77 CYS . 26806 1 68 78 VAL . 26806 1 69 79 LYS . 26806 1 70 80 ASN . 26806 1 71 81 CYS . 26806 1 72 82 GLY . 26806 1 73 83 HIS . 26806 1 74 84 ARG . 26806 1 75 85 PHE . 26806 1 76 86 HIS . 26806 1 77 87 VAL . 26806 1 78 88 LEU . 26806 1 79 89 VAL . 26806 1 80 90 ALA . 26806 1 81 91 SER . 26806 1 82 92 GLN . 26806 1 83 93 ASP . 26806 1 84 94 PHE . 26806 1 85 95 VAL . 26806 1 86 96 GLU . 26806 1 87 97 SER . 26806 1 88 98 VAL . 26806 1 89 99 LEU . 26806 1 90 100 VAL . 26806 1 91 101 ARG . 26806 1 92 102 THR . 26806 1 93 103 ILE . 26806 1 94 104 LEU . 26806 1 95 105 PRO . 26806 1 96 106 LYS . 26806 1 97 107 ASN . 26806 1 98 108 ASN . 26806 1 99 109 PRO . 26806 1 100 110 PRO . 26806 1 101 111 THR . 26806 1 102 112 ILE . 26806 1 103 113 VAL . 26806 1 104 114 HIS . 26806 1 105 115 ASP . 26806 1 106 116 LYS . 26806 1 107 117 VAL . 26806 1 108 118 LEU . 26806 1 109 119 ASN . 26806 1 110 120 LEU . 26806 1 111 121 ILE . 26806 1 112 122 GLN . 26806 1 113 123 SER . 26806 1 114 124 TRP . 26806 1 115 125 ALA . 26806 1 116 126 ASP . 26806 1 117 127 ALA . 26806 1 118 128 PHE . 26806 1 119 129 ARG . 26806 1 120 130 SER . 26806 1 121 131 SER . 26806 1 122 132 PRO . 26806 1 123 133 ASP . 26806 1 124 134 LEU . 26806 1 125 135 THR . 26806 1 126 136 GLY . 26806 1 127 137 VAL . 26806 1 128 138 VAL . 26806 1 129 139 THR . 26806 1 130 140 ILE . 26806 1 131 141 TYR . 26806 1 132 142 GLU . 26806 1 133 143 ASP . 26806 1 134 144 LEU . 26806 1 135 145 ARG . 26806 1 136 146 ARG . 26806 1 137 147 LYS . 26806 1 138 148 GLY . 26806 1 139 149 LEU . 26806 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 . SER 1 1 26806 1 . PRO 2 2 26806 1 . VAL 3 3 26806 1 . GLY 4 4 26806 1 . GLN 5 5 26806 1 . ARG 6 6 26806 1 . ILE 7 7 26806 1 . GLU 8 8 26806 1 . LYS 9 9 26806 1 . ALA 10 10 26806 1 . THR 11 11 26806 1 . ASP 12 12 26806 1 . GLY 13 13 26806 1 . SER 14 14 26806 1 . LEU 15 15 26806 1 . GLN 16 16 26806 1 . SER 17 17 26806 1 . GLU 18 18 26806 1 . ASP 19 19 26806 1 . TRP 20 20 26806 1 . ALA 21 21 26806 1 . LEU 22 22 26806 1 . ASN 23 23 26806 1 . MET 24 24 26806 1 . GLU 25 25 26806 1 . ILE 26 26 26806 1 . CYS 27 27 26806 1 . ASP 28 28 26806 1 . ILE 29 29 26806 1 . ILE 30 30 26806 1 . ASN 31 31 26806 1 . GLU 32 32 26806 1 . THR 33 33 26806 1 . GLU 34 34 26806 1 . GLU 35 35 26806 1 . GLY 36 36 26806 1 . PRO 37 37 26806 1 . LYS 38 38 26806 1 . ASP 39 39 26806 1 . ALA 40 40 26806 1 . LEU 41 41 26806 1 . ARG 42 42 26806 1 . ALA 43 43 26806 1 . VAL 44 44 26806 1 . LYS 45 45 26806 1 . LYS 46 46 26806 1 . ARG 47 47 26806 1 . ILE 48 48 26806 1 . VAL 49 49 26806 1 . GLY 50 50 26806 1 . ASN 51 51 26806 1 . LYS 52 52 26806 1 . ASN 53 53 26806 1 . PHE 54 54 26806 1 . HIS 55 55 26806 1 . GLU 56 56 26806 1 . VAL 57 57 26806 1 . MET 58 58 26806 1 . LEU 59 59 26806 1 . ALA 60 60 26806 1 . LEU 61 61 26806 1 . THR 62 62 26806 1 . VAL 63 63 26806 1 . LEU 64 64 26806 1 . GLU 65 65 26806 1 . THR 66 66 26806 1 . CYS 67 67 26806 1 . VAL 68 68 26806 1 . LYS 69 69 26806 1 . ASN 70 70 26806 1 . CYS 71 71 26806 1 . GLY 72 72 26806 1 . HIS 73 73 26806 1 . ARG 74 74 26806 1 . PHE 75 75 26806 1 . HIS 76 76 26806 1 . VAL 77 77 26806 1 . LEU 78 78 26806 1 . VAL 79 79 26806 1 . ALA 80 80 26806 1 . SER 81 81 26806 1 . GLN 82 82 26806 1 . ASP 83 83 26806 1 . PHE 84 84 26806 1 . VAL 85 85 26806 1 . GLU 86 86 26806 1 . SER 87 87 26806 1 . VAL 88 88 26806 1 . LEU 89 89 26806 1 . VAL 90 90 26806 1 . ARG 91 91 26806 1 . THR 92 92 26806 1 . ILE 93 93 26806 1 . LEU 94 94 26806 1 . PRO 95 95 26806 1 . LYS 96 96 26806 1 . ASN 97 97 26806 1 . ASN 98 98 26806 1 . PRO 99 99 26806 1 . PRO 100 100 26806 1 . THR 101 101 26806 1 . ILE 102 102 26806 1 . VAL 103 103 26806 1 . HIS 104 104 26806 1 . ASP 105 105 26806 1 . LYS 106 106 26806 1 . VAL 107 107 26806 1 . LEU 108 108 26806 1 . ASN 109 109 26806 1 . LEU 110 110 26806 1 . ILE 111 111 26806 1 . GLN 112 112 26806 1 . SER 113 113 26806 1 . TRP 114 114 26806 1 . ALA 115 115 26806 1 . ASP 116 116 26806 1 . ALA 117 117 26806 1 . PHE 118 118 26806 1 . ARG 119 119 26806 1 . SER 120 120 26806 1 . SER 121 121 26806 1 . PRO 122 122 26806 1 . ASP 123 123 26806 1 . LEU 124 124 26806 1 . THR 125 125 26806 1 . GLY 126 126 26806 1 . VAL 127 127 26806 1 . VAL 128 128 26806 1 . THR 129 129 26806 1 . ILE 130 130 26806 1 . TYR 131 131 26806 1 . GLU 132 132 26806 1 . ASP 133 133 26806 1 . LEU 134 134 26806 1 . ARG 135 135 26806 1 . ARG 136 136 26806 1 . LYS 137 137 26806 1 . GLY 138 138 26806 1 . LEU 139 139 26806 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 26806 _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 $Tom1-VHS . 9606 organism . 'Homo sapiens' humans . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26806 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 26806 _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 $Tom1-VHS . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Rosetta . . . . . pGEX4T3 . . . 26806 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Tom1-VHS_sam _Sample.Sf_category sample _Sample.Sf_framecode Tom1-VHS_sam _Sample.Entry_ID 26806 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Tom1-VHS '[U-13C; U-15N]' . . 1 $Tom1-VHS . . 800 . . uM . . . . 26806 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26806 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26806 1 stop_ save_ ####################### # Sample conditions # ####################### save_Tom1-VHS_con _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Tom1-VHS_con _Sample_condition_list.Entry_ID 26806 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7 . pH 26806 1 temperature 273 . K 26806 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26806 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26806 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 26806 1 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 26806 _Software.ID 2 _Software.Name Sparky _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26806 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26806 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 26806 _Software.ID 3 _Software.Name NMRview _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 26806 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26806 3 stop_ save_ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 26806 _Software.ID 4 _Software.Name CCPNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Wayne Boucher and Tim Stevens' . . 26806 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26806 4 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 26806 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _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 26806 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance III' . 600 . . . 26806 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 26806 _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 $Tom1-VHS_sam isotropic . . 1 $Tom1-VHS_con . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26806 1 2 '3D HNCACB' no . . . . . . . . . . 1 $Tom1-VHS_sam isotropic . . 1 $Tom1-VHS_con . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26806 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $Tom1-VHS_sam isotropic . . 1 $Tom1-VHS_con . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26806 1 4 '3D HNCA' no . . . . . . . . . . 1 $Tom1-VHS_sam isotropic . . 1 $Tom1-VHS_con . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26806 1 5 '3D HNCO' no . . . . . . . . . . 1 $Tom1-VHS_sam isotropic . . 1 $Tom1-VHS_con . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26806 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 26806 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26806 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.000000000 . . . . . 26806 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26806 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 26806 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Tom1-VHS_con _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' . . . 26806 1 2 '3D HNCACB' . . . 26806 1 3 '3D CBCA(CO)NH' . . . 26806 1 4 '3D HNCA' . . . 26806 1 5 '3D HNCO' . . . 26806 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO C C 13 179.78 0.1 . 1 . . . . 12 PRO C . 26806 1 2 . 1 1 2 2 PRO CA C 13 65.45 0.1 . 1 . . . . 12 PRO CA . 26806 1 3 . 1 1 2 2 PRO CB C 13 32.1 0.1 . 1 . . . . 12 PRO CB . 26806 1 4 . 1 1 3 3 VAL H H 1 8.93 0.01 . 1 . . . . 13 VAL H . 26806 1 5 . 1 1 3 3 VAL C C 13 176.87 0.1 . 1 . . . . 13 VAL C . 26806 1 6 . 1 1 3 3 VAL CA C 13 65.64 0.1 . 1 . . . . 13 VAL CA . 26806 1 7 . 1 1 3 3 VAL CB C 13 31.48 0.1 . 1 . . . . 13 VAL CB . 26806 1 8 . 1 1 3 3 VAL N N 15 118.29 0.1 . 1 . . . . 13 VAL N . 26806 1 9 . 1 1 4 4 GLY H H 1 8.39 0.01 . 1 . . . . 14 GLY H . 26806 1 10 . 1 1 4 4 GLY CA C 13 47.7 0.1 . 1 . . . . 14 GLY CA . 26806 1 11 . 1 1 4 4 GLY N N 15 111.98 0.1 . 1 . . . . 14 GLY N . 26806 1 12 . 1 1 5 5 GLN C C 13 179.23 0.1 . 1 . . . . 15 GLN C . 26806 1 13 . 1 1 5 5 GLN CA C 13 58.9 0.1 . 1 . . . . 15 GLN CA . 26806 1 14 . 1 1 5 5 GLN CB C 13 28.57 0.1 . 1 . . . . 15 GLN CB . 26806 1 15 . 1 1 6 6 ARG H H 1 7.24 0.01 . 1 . . . . 16 ARG H . 26806 1 16 . 1 1 6 6 ARG C C 13 178.44 0.1 . 1 . . . . 16 ARG C . 26806 1 17 . 1 1 6 6 ARG CA C 13 58.92 0.1 . 1 . . . . 16 ARG CA . 26806 1 18 . 1 1 6 6 ARG CB C 13 30.2 0.1 . 1 . . . . 16 ARG CB . 26806 1 19 . 1 1 6 6 ARG N N 15 117.9 0.1 . 1 . . . . 16 ARG N . 26806 1 20 . 1 1 7 7 ILE H H 1 8.45 0.01 . 1 . . . . 17 ILE H . 26806 1 21 . 1 1 7 7 ILE C C 13 178.54 0.1 . 1 . . . . 17 ILE C . 26806 1 22 . 1 1 7 7 ILE CA C 13 65.99 0.1 . 1 . . . . 17 ILE CA . 26806 1 23 . 1 1 7 7 ILE CB C 13 37.35 0.1 . 1 . . . . 17 ILE CB . 26806 1 24 . 1 1 7 7 ILE N N 15 119.96 0.1 . 1 . . . . 17 ILE N . 26806 1 25 . 1 1 8 8 GLU H H 1 8.39 0.01 . 1 . . . . 18 GLU H . 26806 1 26 . 1 1 8 8 GLU C C 13 178.41 0.1 . 1 . . . . 18 GLU C . 26806 1 27 . 1 1 8 8 GLU CA C 13 60.92 0.1 . 1 . . . . 18 GLU CA . 26806 1 28 . 1 1 8 8 GLU CB C 13 29.21 0.1 . 1 . . . . 18 GLU CB . 26806 1 29 . 1 1 8 8 GLU N N 15 122.59 0.1 . 1 . . . . 18 GLU N . 26806 1 30 . 1 1 9 9 LYS H H 1 7.37 0.01 . 1 . . . . 19 LYS H . 26806 1 31 . 1 1 9 9 LYS C C 13 178.35 0.1 . 1 . . . . 19 LYS C . 26806 1 32 . 1 1 9 9 LYS CA C 13 59.56 0.1 . 1 . . . . 19 LYS CA . 26806 1 33 . 1 1 9 9 LYS CB C 13 32.52 0.1 . 1 . . . . 19 LYS CB . 26806 1 34 . 1 1 9 9 LYS N N 15 118.57 0.1 . 1 . . . . 19 LYS N . 26806 1 35 . 1 1 10 10 ALA H H 1 8.29 0.01 . 1 . . . . 20 ALA H . 26806 1 36 . 1 1 10 10 ALA C C 13 176.73 0.1 . 1 . . . . 20 ALA C . 26806 1 37 . 1 1 10 10 ALA CA C 13 53.63 0.1 . 1 . . . . 20 ALA CA . 26806 1 38 . 1 1 10 10 ALA CB C 13 20.17 0.1 . 1 . . . . 20 ALA CB . 26806 1 39 . 1 1 10 10 ALA N N 15 118.69 0.1 . 1 . . . . 20 ALA N . 26806 1 40 . 1 1 11 11 THR H H 1 7.17 0.01 . 1 . . . . 21 THR H . 26806 1 41 . 1 1 11 11 THR C C 13 171.65 0.1 . 1 . . . . 21 THR C . 26806 1 42 . 1 1 11 11 THR CA C 13 59.36 0.1 . 1 . . . . 21 THR CA . 26806 1 43 . 1 1 11 11 THR CB C 13 69.26 0.1 . 1 . . . . 21 THR CB . 26806 1 44 . 1 1 11 11 THR N N 15 102.45 0.1 . 1 . . . . 21 THR N . 26806 1 45 . 1 1 12 12 ASP H H 1 6.66 0.01 . 1 . . . . 22 ASP H . 26806 1 46 . 1 1 12 12 ASP C C 13 177.13 0.1 . 1 . . . . 22 ASP C . 26806 1 47 . 1 1 12 12 ASP CA C 13 54.94 0.1 . 1 . . . . 22 ASP CA . 26806 1 48 . 1 1 12 12 ASP CB C 13 43.93 0.1 . 1 . . . . 22 ASP CB . 26806 1 49 . 1 1 12 12 ASP N N 15 122.42 0.1 . 1 . . . . 22 ASP N . 26806 1 50 . 1 1 13 13 GLY H H 1 9.29 0.01 . 1 . . . . 23 GLY H . 26806 1 51 . 1 1 13 13 GLY C C 13 174.22 0.1 . 1 . . . . 23 GLY C . 26806 1 52 . 1 1 13 13 GLY CA C 13 47.23 0.1 . 1 . . . . 23 GLY CA . 26806 1 53 . 1 1 13 13 GLY N N 15 111.76 0.1 . 1 . . . . 23 GLY N . 26806 1 54 . 1 1 14 14 SER H H 1 8.67 0.01 . 1 . . . . 24 SER H . 26806 1 55 . 1 1 14 14 SER C C 13 175.71 0.1 . 1 . . . . 24 SER C . 26806 1 56 . 1 1 14 14 SER CA C 13 60.05 0.1 . 1 . . . . 24 SER CA . 26806 1 57 . 1 1 14 14 SER CB C 13 63.65 0.1 . 1 . . . . 24 SER CB . 26806 1 58 . 1 1 14 14 SER N N 15 115.37 0.1 . 1 . . . . 24 SER N . 26806 1 59 . 1 1 15 15 LEU H H 1 8.17 0.01 . 1 . . . . 25 LEU H . 26806 1 60 . 1 1 15 15 LEU CA C 13 55.84 0.1 . 1 . . . . 25 LEU CA . 26806 1 61 . 1 1 15 15 LEU CB C 13 41.62 0.1 . 1 . . . . 25 LEU CB . 26806 1 62 . 1 1 15 15 LEU N N 15 125.5 0.1 . 1 . . . . 25 LEU N . 26806 1 63 . 1 1 16 16 GLN C C 13 176.04 0.1 . 1 . . . . 26 GLN C . 26806 1 64 . 1 1 16 16 GLN CA C 13 57.75 0.1 . 1 . . . . 26 GLN CA . 26806 1 65 . 1 1 16 16 GLN CB C 13 29.24 0.1 . 1 . . . . 26 GLN CB . 26806 1 66 . 1 1 17 17 SER H H 1 7.69 0.01 . 1 . . . . 27 SER H . 26806 1 67 . 1 1 17 17 SER C C 13 171.75 0.1 . 1 . . . . 27 SER C . 26806 1 68 . 1 1 17 17 SER CA C 13 56.71 0.1 . 1 . . . . 27 SER CA . 26806 1 69 . 1 1 17 17 SER CB C 13 64.81 0.1 . 1 . . . . 27 SER CB . 26806 1 70 . 1 1 17 17 SER N N 15 110.14 0.1 . 1 . . . . 27 SER N . 26806 1 71 . 1 1 18 18 GLU H H 1 9.47 0.01 . 1 . . . . 28 GLU H . 26806 1 72 . 1 1 18 18 GLU C C 13 175.31 0.1 . 1 . . . . 28 GLU C . 26806 1 73 . 1 1 18 18 GLU CA C 13 58.06 0.1 . 1 . . . . 28 GLU CA . 26806 1 74 . 1 1 18 18 GLU CB C 13 28.8 0.1 . 1 . . . . 28 GLU CB . 26806 1 75 . 1 1 18 18 GLU N N 15 119.71 0.1 . 1 . . . . 28 GLU N . 26806 1 76 . 1 1 19 19 ASP H H 1 8.9 0.01 . 1 . . . . 29 ASP H . 26806 1 77 . 1 1 19 19 ASP C C 13 175.57 0.1 . 1 . . . . 29 ASP C . 26806 1 78 . 1 1 19 19 ASP CA C 13 52.1 0.1 . 1 . . . . 29 ASP CA . 26806 1 79 . 1 1 19 19 ASP CB C 13 40.97 0.1 . 1 . . . . 29 ASP CB . 26806 1 80 . 1 1 19 19 ASP N N 15 123.63 0.1 . 1 . . . . 29 ASP N . 26806 1 81 . 1 1 20 20 TRP H H 1 8.06 0.01 . 1 . . . . 30 TRP H . 26806 1 82 . 1 1 20 20 TRP C C 13 178.19 0.1 . 1 . . . . 30 TRP C . 26806 1 83 . 1 1 20 20 TRP CA C 13 61.04 0.1 . 1 . . . . 30 TRP CA . 26806 1 84 . 1 1 20 20 TRP CB C 13 28.9 0.1 . 1 . . . . 30 TRP CB . 26806 1 85 . 1 1 20 20 TRP N N 15 123.81 0.1 . 1 . . . . 30 TRP N . 26806 1 86 . 1 1 21 21 ALA H H 1 8.19 0.01 . 1 . . . . 31 ALA H . 26806 1 87 . 1 1 21 21 ALA C C 13 181.17 0.1 . 1 . . . . 31 ALA C . 26806 1 88 . 1 1 21 21 ALA CA C 13 55.22 0.1 . 1 . . . . 31 ALA CA . 26806 1 89 . 1 1 21 21 ALA CB C 13 17.72 0.1 . 1 . . . . 31 ALA CB . 26806 1 90 . 1 1 21 21 ALA N N 15 121.82 0.1 . 1 . . . . 31 ALA N . 26806 1 91 . 1 1 22 22 LEU H H 1 7.94 0.01 . 1 . . . . 32 LEU H . 26806 1 92 . 1 1 22 22 LEU C C 13 178.73 0.1 . 1 . . . . 32 LEU C . 26806 1 93 . 1 1 22 22 LEU CA C 13 57.33 0.1 . 1 . . . . 32 LEU CA . 26806 1 94 . 1 1 22 22 LEU CB C 13 41.47 0.1 . 1 . . . . 32 LEU CB . 26806 1 95 . 1 1 22 22 LEU N N 15 122.8 0.1 . 1 . . . . 32 LEU N . 26806 1 96 . 1 1 23 23 ASN H H 1 8.6 0.01 . 1 . . . . 33 ASN H . 26806 1 97 . 1 1 23 23 ASN C C 13 178.87 0.1 . 1 . . . . 33 ASN C . 26806 1 98 . 1 1 23 23 ASN CA C 13 56.27 0.1 . 1 . . . . 33 ASN CA . 26806 1 99 . 1 1 23 23 ASN CB C 13 36.44 0.1 . 1 . . . . 33 ASN CB . 26806 1 100 . 1 1 23 23 ASN N N 15 119.45 0.1 . 1 . . . . 33 ASN N . 26806 1 101 . 1 1 24 24 MET H H 1 8.13 0.01 . 1 . . . . 34 MET H . 26806 1 102 . 1 1 24 24 MET C C 13 178.23 0.1 . 1 . . . . 34 MET C . 26806 1 103 . 1 1 24 24 MET CA C 13 57.35 0.1 . 1 . . . . 34 MET CA . 26806 1 104 . 1 1 24 24 MET CB C 13 30.31 0.1 . 1 . . . . 34 MET CB . 26806 1 105 . 1 1 24 24 MET N N 15 118.77 0.1 . 1 . . . . 34 MET N . 26806 1 106 . 1 1 25 25 GLU H H 1 7.97 0.01 . 1 . . . . 35 GLU H . 26806 1 107 . 1 1 25 25 GLU C C 13 179.11 0.1 . 1 . . . . 35 GLU C . 26806 1 108 . 1 1 25 25 GLU CA C 13 59.82 0.1 . 1 . . . . 35 GLU CA . 26806 1 109 . 1 1 25 25 GLU CB C 13 29.59 0.1 . 1 . . . . 35 GLU CB . 26806 1 110 . 1 1 25 25 GLU N N 15 123.63 0.1 . 1 . . . . 35 GLU N . 26806 1 111 . 1 1 26 26 ILE H H 1 8.3 0.01 . 1 . . . . 36 ILE H . 26806 1 112 . 1 1 26 26 ILE C C 13 176.93 0.1 . 1 . . . . 36 ILE C . 26806 1 113 . 1 1 26 26 ILE CA C 13 66.48 0.1 . 1 . . . . 36 ILE CA . 26806 1 114 . 1 1 26 26 ILE CB C 13 37.69 0.1 . 1 . . . . 36 ILE CB . 26806 1 115 . 1 1 26 26 ILE N N 15 118.59 0.1 . 1 . . . . 36 ILE N . 26806 1 116 . 1 1 27 27 CYS H H 1 7.13 0.01 . 1 . . . . 37 CYS H . 26806 1 117 . 1 1 27 27 CYS C C 13 175.63 0.1 . 1 . . . . 37 CYS C . 26806 1 118 . 1 1 27 27 CYS CA C 13 63.83 0.1 . 1 . . . . 37 CYS CA . 26806 1 119 . 1 1 27 27 CYS CB C 13 26.47 0.1 . 1 . . . . 37 CYS CB . 26806 1 120 . 1 1 27 27 CYS N N 15 116.13 0.1 . 1 . . . . 37 CYS N . 26806 1 121 . 1 1 28 28 ASP H H 1 7.87 0.01 . 1 . . . . 38 ASP H . 26806 1 122 . 1 1 28 28 ASP C C 13 178.28 0.1 . 1 . . . . 38 ASP C . 26806 1 123 . 1 1 28 28 ASP CA C 13 57.93 0.1 . 1 . . . . 38 ASP CA . 26806 1 124 . 1 1 28 28 ASP CB C 13 40.07 0.1 . 1 . . . . 38 ASP CB . 26806 1 125 . 1 1 28 28 ASP N N 15 119.57 0.1 . 1 . . . . 38 ASP N . 26806 1 126 . 1 1 29 29 ILE H H 1 8.11 0.01 . 1 . . . . 39 ILE H . 26806 1 127 . 1 1 29 29 ILE C C 13 180.04 0.1 . 1 . . . . 39 ILE C . 26806 1 128 . 1 1 29 29 ILE CA C 13 65.23 0.1 . 1 . . . . 39 ILE CA . 26806 1 129 . 1 1 29 29 ILE CB C 13 38.2 0.1 . 1 . . . . 39 ILE CB . 26806 1 130 . 1 1 29 29 ILE N N 15 119.32 0.1 . 1 . . . . 39 ILE N . 26806 1 131 . 1 1 30 30 ILE H H 1 8.23 0.01 . 1 . . . . 40 ILE H . 26806 1 132 . 1 1 30 30 ILE C C 13 177 0.1 . 1 . . . . 40 ILE C . 26806 1 133 . 1 1 30 30 ILE CA C 13 67.07 0.1 . 1 . . . . 40 ILE CA . 26806 1 134 . 1 1 30 30 ILE CB C 13 37.73 0.1 . 1 . . . . 40 ILE CB . 26806 1 135 . 1 1 30 30 ILE N N 15 122.11 0.1 . 1 . . . . 40 ILE N . 26806 1 136 . 1 1 31 31 ASN H H 1 8.1 0.01 . 1 . . . . 41 ASN H . 26806 1 137 . 1 1 31 31 ASN C C 13 177.21 0.1 . 1 . . . . 41 ASN C . 26806 1 138 . 1 1 31 31 ASN CA C 13 55.2 0.1 . 1 . . . . 41 ASN CA . 26806 1 139 . 1 1 31 31 ASN CB C 13 38.14 0.1 . 1 . . . . 41 ASN CB . 26806 1 140 . 1 1 31 31 ASN N N 15 114.5 0.1 . 1 . . . . 41 ASN N . 26806 1 141 . 1 1 32 32 GLU H H 1 7.92 0.01 . 1 . . . . 42 GLU H . 26806 1 142 . 1 1 32 32 GLU C C 13 176.52 0.1 . 1 . . . . 42 GLU C . 26806 1 143 . 1 1 32 32 GLU CA C 13 56.71 0.1 . 1 . . . . 42 GLU CA . 26806 1 144 . 1 1 32 32 GLU CB C 13 31.25 0.1 . 1 . . . . 42 GLU CB . 26806 1 145 . 1 1 32 32 GLU N N 15 116.84 0.1 . 1 . . . . 42 GLU N . 26806 1 146 . 1 1 33 33 THR H H 1 7.52 0.01 . 1 . . . . 43 THR H . 26806 1 147 . 1 1 33 33 THR CA C 13 60.08 0.1 . 1 . . . . 43 THR CA . 26806 1 148 . 1 1 33 33 THR CB C 13 72.7 0.1 . 1 . . . . 43 THR CB . 26806 1 149 . 1 1 33 33 THR N N 15 109.11 0.1 . 1 . . . . 43 THR N . 26806 1 150 . 1 1 37 37 PRO C C 13 177.64 0.1 . 1 . . . . 47 PRO C . 26806 1 151 . 1 1 37 37 PRO CA C 13 67.59 0.1 . 1 . . . . 47 PRO CA . 26806 1 152 . 1 1 37 37 PRO CB C 13 31.49 0.1 . 1 . . . . 47 PRO CB . 26806 1 153 . 1 1 38 38 LYS H H 1 8.14 0.01 . 1 . . . . 48 LYS H . 26806 1 154 . 1 1 38 38 LYS C C 13 179.83 0.1 . 1 . . . . 48 LYS C . 26806 1 155 . 1 1 38 38 LYS CA C 13 57.79 0.1 . 1 . . . . 48 LYS CA . 26806 1 156 . 1 1 38 38 LYS CB C 13 30.51 0.1 . 1 . . . . 48 LYS CB . 26806 1 157 . 1 1 38 38 LYS N N 15 118.59 0.1 . 1 . . . . 48 LYS N . 26806 1 158 . 1 1 39 39 ASP H H 1 8.18 0.01 . 1 . . . . 49 ASP H . 26806 1 159 . 1 1 39 39 ASP C C 13 180.62 0.1 . 1 . . . . 49 ASP C . 26806 1 160 . 1 1 39 39 ASP CA C 13 58.24 0.1 . 1 . . . . 49 ASP CA . 26806 1 161 . 1 1 39 39 ASP CB C 13 41.98 0.1 . 1 . . . . 49 ASP CB . 26806 1 162 . 1 1 39 39 ASP N N 15 120.92 0.1 . 1 . . . . 49 ASP N . 26806 1 163 . 1 1 40 40 ALA H H 1 8.57 0.01 . 1 . . . . 50 ALA H . 26806 1 164 . 1 1 40 40 ALA C C 13 179.23 0.1 . 1 . . . . 50 ALA C . 26806 1 165 . 1 1 40 40 ALA CA C 13 55.57 0.1 . 1 . . . . 50 ALA CA . 26806 1 166 . 1 1 40 40 ALA CB C 13 18.18 0.1 . 1 . . . . 50 ALA CB . 26806 1 167 . 1 1 40 40 ALA N N 15 122.88 0.1 . 1 . . . . 50 ALA N . 26806 1 168 . 1 1 41 41 LEU H H 1 9.05 0.01 . 1 . . . . 51 LEU H . 26806 1 169 . 1 1 41 41 LEU C C 13 179.27 0.1 . 1 . . . . 51 LEU C . 26806 1 170 . 1 1 41 41 LEU CA C 13 58.24 0.1 . 1 . . . . 51 LEU CA . 26806 1 171 . 1 1 41 41 LEU CB C 13 41.49 0.1 . 1 . . . . 51 LEU CB . 26806 1 172 . 1 1 41 41 LEU N N 15 120.19 0.1 . 1 . . . . 51 LEU N . 26806 1 173 . 1 1 42 42 ARG H H 1 7.9 0.01 . 1 . . . . 52 ARG H . 26806 1 174 . 1 1 42 42 ARG C C 13 178.85 0.1 . 1 . . . . 52 ARG C . 26806 1 175 . 1 1 42 42 ARG CA C 13 59.97 0.1 . 1 . . . . 52 ARG CA . 26806 1 176 . 1 1 42 42 ARG CB C 13 30.29 0.1 . 1 . . . . 52 ARG CB . 26806 1 177 . 1 1 42 42 ARG N N 15 117.8 0.1 . 1 . . . . 52 ARG N . 26806 1 178 . 1 1 43 43 ALA H H 1 7.67 0.01 . 1 . . . . 53 ALA H . 26806 1 179 . 1 1 43 43 ALA C C 13 180.23 0.1 . 1 . . . . 53 ALA C . 26806 1 180 . 1 1 43 43 ALA CA C 13 54.9 0.1 . 1 . . . . 53 ALA CA . 26806 1 181 . 1 1 43 43 ALA CB C 13 19.71 0.1 . 1 . . . . 53 ALA CB . 26806 1 182 . 1 1 43 43 ALA N N 15 120.93 0.1 . 1 . . . . 53 ALA N . 26806 1 183 . 1 1 44 44 VAL H H 1 8.77 0.01 . 1 . . . . 54 VAL H . 26806 1 184 . 1 1 44 44 VAL C C 13 177.55 0.1 . 1 . . . . 54 VAL C . 26806 1 185 . 1 1 44 44 VAL CA C 13 67.45 0.1 . 1 . . . . 54 VAL CA . 26806 1 186 . 1 1 44 44 VAL CB C 13 31.57 0.1 . 1 . . . . 54 VAL CB . 26806 1 187 . 1 1 44 44 VAL N N 15 118.21 0.1 . 1 . . . . 54 VAL N . 26806 1 188 . 1 1 45 45 LYS H H 1 8.44 0.01 . 1 . . . . 55 LYS H . 26806 1 189 . 1 1 45 45 LYS C C 13 177.77 0.1 . 1 . . . . 55 LYS C . 26806 1 190 . 1 1 45 45 LYS CA C 13 61.26 0.1 . 1 . . . . 55 LYS CA . 26806 1 191 . 1 1 45 45 LYS CB C 13 32.58 0.1 . 1 . . . . 55 LYS CB . 26806 1 192 . 1 1 45 45 LYS N N 15 119.65 0.1 . 1 . . . . 55 LYS N . 26806 1 193 . 1 1 46 46 LYS H H 1 7.65 0.01 . 1 . . . . 56 LYS H . 26806 1 194 . 1 1 46 46 LYS C C 13 178.33 0.1 . 1 . . . . 56 LYS C . 26806 1 195 . 1 1 46 46 LYS CA C 13 58.62 0.1 . 1 . . . . 56 LYS CA . 26806 1 196 . 1 1 46 46 LYS CB C 13 32.4 0.1 . 1 . . . . 56 LYS CB . 26806 1 197 . 1 1 46 46 LYS N N 15 116.38 0.1 . 1 . . . . 56 LYS N . 26806 1 198 . 1 1 47 47 ARG H H 1 7.49 0.01 . 1 . . . . 57 ARG H . 26806 1 199 . 1 1 47 47 ARG C C 13 175.57 0.1 . 1 . . . . 57 ARG C . 26806 1 200 . 1 1 47 47 ARG CA C 13 55.23 0.1 . 1 . . . . 57 ARG CA . 26806 1 201 . 1 1 47 47 ARG CB C 13 28.84 0.1 . 1 . . . . 57 ARG CB . 26806 1 202 . 1 1 47 47 ARG N N 15 115.07 0.1 . 1 . . . . 57 ARG N . 26806 1 203 . 1 1 48 48 ILE H H 1 7.59 0.01 . 1 . . . . 58 ILE H . 26806 1 204 . 1 1 48 48 ILE C C 13 177.41 0.1 . 1 . . . . 58 ILE C . 26806 1 205 . 1 1 48 48 ILE CA C 13 64.91 0.1 . 1 . . . . 58 ILE CA . 26806 1 206 . 1 1 48 48 ILE CB C 13 40.68 0.1 . 1 . . . . 58 ILE CB . 26806 1 207 . 1 1 48 48 ILE N N 15 115.63 0.1 . 1 . . . . 58 ILE N . 26806 1 208 . 1 1 49 49 VAL H H 1 8.37 0.01 . 1 . . . . 59 VAL H . 26806 1 209 . 1 1 49 49 VAL C C 13 178.39 0.1 . 1 . . . . 59 VAL C . 26806 1 210 . 1 1 49 49 VAL CA C 13 65.81 0.1 . 1 . . . . 59 VAL CA . 26806 1 211 . 1 1 49 49 VAL CB C 13 30.74 0.1 . 1 . . . . 59 VAL CB . 26806 1 212 . 1 1 49 49 VAL N N 15 119.93 0.1 . 1 . . . . 59 VAL N . 26806 1 213 . 1 1 50 50 GLY H H 1 9.02 0.01 . 1 . . . . 60 GLY H . 26806 1 214 . 1 1 50 50 GLY C C 13 173.1 0.1 . 1 . . . . 60 GLY C . 26806 1 215 . 1 1 50 50 GLY CA C 13 45.4 0.1 . 1 . . . . 60 GLY CA . 26806 1 216 . 1 1 50 50 GLY N N 15 116.86 0.1 . 1 . . . . 60 GLY N . 26806 1 217 . 1 1 51 51 ASN H H 1 7.5 0.01 . 1 . . . . 61 ASN H . 26806 1 218 . 1 1 51 51 ASN C C 13 175.85 0.1 . 1 . . . . 61 ASN C . 26806 1 219 . 1 1 51 51 ASN CA C 13 52.89 0.1 . 1 . . . . 61 ASN CA . 26806 1 220 . 1 1 51 51 ASN CB C 13 38.49 0.1 . 1 . . . . 61 ASN CB . 26806 1 221 . 1 1 51 51 ASN N N 15 119.67 0.1 . 1 . . . . 61 ASN N . 26806 1 222 . 1 1 52 52 LYS H H 1 8.5 0.01 . 1 . . . . 62 LYS H . 26806 1 223 . 1 1 52 52 LYS C C 13 175.82 0.1 . 1 . . . . 62 LYS C . 26806 1 224 . 1 1 52 52 LYS CA C 13 54.96 0.1 . 1 . . . . 62 LYS CA . 26806 1 225 . 1 1 52 52 LYS CB C 13 31.66 0.1 . 1 . . . . 62 LYS CB . 26806 1 226 . 1 1 52 52 LYS N N 15 124.02 0.1 . 1 . . . . 62 LYS N . 26806 1 227 . 1 1 53 53 ASN H H 1 8.42 0.01 . 1 . . . . 63 ASN H . 26806 1 228 . 1 1 53 53 ASN C C 13 175.67 0.1 . 1 . . . . 63 ASN C . 26806 1 229 . 1 1 53 53 ASN CA C 13 51.67 0.1 . 1 . . . . 63 ASN CA . 26806 1 230 . 1 1 53 53 ASN CB C 13 36.94 0.1 . 1 . . . . 63 ASN CB . 26806 1 231 . 1 1 53 53 ASN N N 15 119.35 0.1 . 1 . . . . 63 ASN N . 26806 1 232 . 1 1 54 54 PHE H H 1 8.43 0.01 . 1 . . . . 64 PHE H . 26806 1 233 . 1 1 54 54 PHE C C 13 177.1 0.1 . 1 . . . . 64 PHE C . 26806 1 234 . 1 1 54 54 PHE CA C 13 62.39 0.1 . 1 . . . . 64 PHE CA . 26806 1 235 . 1 1 54 54 PHE CB C 13 38.07 0.1 . 1 . . . . 64 PHE CB . 26806 1 236 . 1 1 54 54 PHE N N 15 121.41 0.1 . 1 . . . . 64 PHE N . 26806 1 237 . 1 1 55 55 HIS H H 1 8.36 0.01 . 1 . . . . 65 HIS H . 26806 1 238 . 1 1 55 55 HIS C C 13 177.45 0.1 . 1 . . . . 65 HIS C . 26806 1 239 . 1 1 55 55 HIS CA C 13 59.85 0.1 . 1 . . . . 65 HIS CA . 26806 1 240 . 1 1 55 55 HIS CB C 13 30.71 0.1 . 1 . . . . 65 HIS CB . 26806 1 241 . 1 1 55 55 HIS N N 15 123.02 0.1 . 1 . . . . 65 HIS N . 26806 1 242 . 1 1 56 56 GLU H H 1 7.1 0.01 . 1 . . . . 66 GLU H . 26806 1 243 . 1 1 56 56 GLU C C 13 179.42 0.1 . 1 . . . . 66 GLU C . 26806 1 244 . 1 1 56 56 GLU CA C 13 59.83 0.1 . 1 . . . . 66 GLU CA . 26806 1 245 . 1 1 56 56 GLU CB C 13 30.25 0.1 . 1 . . . . 66 GLU CB . 26806 1 246 . 1 1 56 56 GLU N N 15 117.81 0.1 . 1 . . . . 66 GLU N . 26806 1 247 . 1 1 57 57 VAL H H 1 7.59 0.01 . 1 . . . . 67 VAL H . 26806 1 248 . 1 1 57 57 VAL C C 13 176.84 0.1 . 1 . . . . 67 VAL C . 26806 1 249 . 1 1 57 57 VAL CA C 13 67.56 0.1 . 1 . . . . 67 VAL CA . 26806 1 250 . 1 1 57 57 VAL CB C 13 31.68 0.1 . 1 . . . . 67 VAL CB . 26806 1 251 . 1 1 57 57 VAL N N 15 116.74 0.1 . 1 . . . . 67 VAL N . 26806 1 252 . 1 1 58 58 MET H H 1 7.82 0.01 . 1 . . . . 68 MET H . 26806 1 253 . 1 1 58 58 MET C C 13 179.72 0.1 . 1 . . . . 68 MET C . 26806 1 254 . 1 1 58 58 MET CA C 13 59.95 0.1 . 1 . . . . 68 MET CA . 26806 1 255 . 1 1 58 58 MET CB C 13 32.27 0.1 . 1 . . . . 68 MET CB . 26806 1 256 . 1 1 58 58 MET N N 15 116.35 0.1 . 1 . . . . 68 MET N . 26806 1 257 . 1 1 59 59 LEU H H 1 8.66 0.01 . 1 . . . . 69 LEU H . 26806 1 258 . 1 1 59 59 LEU C C 13 179.93 0.1 . 1 . . . . 69 LEU C . 26806 1 259 . 1 1 59 59 LEU CA C 13 57.4 0.1 . 1 . . . . 69 LEU CA . 26806 1 260 . 1 1 59 59 LEU CB C 13 40.32 0.1 . 1 . . . . 69 LEU CB . 26806 1 261 . 1 1 59 59 LEU N N 15 121.18 0.1 . 1 . . . . 69 LEU N . 26806 1 262 . 1 1 60 60 ALA H H 1 8.92 0.01 . 1 . . . . 70 ALA H . 26806 1 263 . 1 1 60 60 ALA C C 13 179.13 0.1 . 1 . . . . 70 ALA C . 26806 1 264 . 1 1 60 60 ALA CA C 13 54.78 0.1 . 1 . . . . 70 ALA CA . 26806 1 265 . 1 1 60 60 ALA CB C 13 19.1 0.1 . 1 . . . . 70 ALA CB . 26806 1 266 . 1 1 60 60 ALA N N 15 123.15 0.1 . 1 . . . . 70 ALA N . 26806 1 267 . 1 1 61 61 LEU H H 1 8.03 0.01 . 1 . . . . 71 LEU H . 26806 1 268 . 1 1 61 61 LEU C C 13 179.1 0.1 . 1 . . . . 71 LEU C . 26806 1 269 . 1 1 61 61 LEU CA C 13 58.3 0.1 . 1 . . . . 71 LEU CA . 26806 1 270 . 1 1 61 61 LEU CB C 13 41.35 0.1 . 1 . . . . 71 LEU CB . 26806 1 271 . 1 1 61 61 LEU N N 15 118.75 0.1 . 1 . . . . 71 LEU N . 26806 1 272 . 1 1 62 62 THR H H 1 8.28 0.01 . 1 . . . . 72 THR H . 26806 1 273 . 1 1 62 62 THR C C 13 178.13 0.1 . 1 . . . . 72 THR C . 26806 1 274 . 1 1 62 62 THR CA C 13 67.11 0.1 . 1 . . . . 72 THR CA . 26806 1 275 . 1 1 62 62 THR CB C 13 67.89 0.1 . 1 . . . . 72 THR CB . 26806 1 276 . 1 1 62 62 THR N N 15 118.06 0.1 . 1 . . . . 72 THR N . 26806 1 277 . 1 1 63 63 VAL H H 1 8.13 0.01 . 1 . . . . 73 VAL H . 26806 1 278 . 1 1 63 63 VAL C C 13 178.13 0.1 . 1 . . . . 73 VAL C . 26806 1 279 . 1 1 63 63 VAL CA C 13 67.34 0.1 . 1 . . . . 73 VAL CA . 26806 1 280 . 1 1 63 63 VAL CB C 13 31.6 0.1 . 1 . . . . 73 VAL CB . 26806 1 281 . 1 1 63 63 VAL N N 15 126.91 0.1 . 1 . . . . 73 VAL N . 26806 1 282 . 1 1 64 64 LEU H H 1 8.57 0.01 . 1 . . . . 74 LEU H . 26806 1 283 . 1 1 64 64 LEU C C 13 177.7 0.1 . 1 . . . . 74 LEU C . 26806 1 284 . 1 1 64 64 LEU CA C 13 59.05 0.1 . 1 . . . . 74 LEU CA . 26806 1 285 . 1 1 64 64 LEU CB C 13 42.64 0.1 . 1 . . . . 74 LEU CB . 26806 1 286 . 1 1 64 64 LEU N N 15 121.02 0.1 . 1 . . . . 74 LEU N . 26806 1 287 . 1 1 65 65 GLU H H 1 8.97 0.01 . 1 . . . . 75 GLU H . 26806 1 288 . 1 1 65 65 GLU C C 13 179.09 0.1 . 1 . . . . 75 GLU C . 26806 1 289 . 1 1 65 65 GLU CA C 13 59.95 0.1 . 1 . . . . 75 GLU CA . 26806 1 290 . 1 1 65 65 GLU CB C 13 31.07 0.1 . 1 . . . . 75 GLU CB . 26806 1 291 . 1 1 65 65 GLU N N 15 119.33 0.1 . 1 . . . . 75 GLU N . 26806 1 292 . 1 1 66 66 THR H H 1 8.35 0.01 . 1 . . . . 76 THR H . 26806 1 293 . 1 1 66 66 THR C C 13 176.67 0.1 . 1 . . . . 76 THR C . 26806 1 294 . 1 1 66 66 THR CA C 13 67.23 0.1 . 1 . . . . 76 THR CA . 26806 1 295 . 1 1 66 66 THR CB C 13 68.77 0.1 . 1 . . . . 76 THR CB . 26806 1 296 . 1 1 66 66 THR N N 15 117.49 0.1 . 1 . . . . 76 THR N . 26806 1 297 . 1 1 67 67 CYS H H 1 8.73 0.01 . 1 . . . . 77 CYS H . 26806 1 298 . 1 1 67 67 CYS C C 13 177.1 0.1 . 1 . . . . 77 CYS C . 26806 1 299 . 1 1 67 67 CYS CA C 13 62.84 0.1 . 1 . . . . 77 CYS CA . 26806 1 300 . 1 1 67 67 CYS CB C 13 27.64 0.1 . 1 . . . . 77 CYS CB . 26806 1 301 . 1 1 67 67 CYS N N 15 121.7 0.1 . 1 . . . . 77 CYS N . 26806 1 302 . 1 1 68 68 VAL H H 1 8.45 0.01 . 1 . . . . 78 VAL H . 26806 1 303 . 1 1 68 68 VAL C C 13 178.05 0.1 . 1 . . . . 78 VAL C . 26806 1 304 . 1 1 68 68 VAL CA C 13 68.5 0.1 . 1 . . . . 78 VAL CA . 26806 1 305 . 1 1 68 68 VAL CB C 13 31.07 0.1 . 1 . . . . 78 VAL CB . 26806 1 306 . 1 1 68 68 VAL N N 15 120.2 0.1 . 1 . . . . 78 VAL N . 26806 1 307 . 1 1 69 69 LYS H H 1 7.68 0.01 . 1 . . . . 79 LYS H . 26806 1 308 . 1 1 69 69 LYS C C 13 178.66 0.1 . 1 . . . . 79 LYS C . 26806 1 309 . 1 1 69 69 LYS CA C 13 59.84 0.1 . 1 . . . . 79 LYS CA . 26806 1 310 . 1 1 69 69 LYS CB C 13 33.15 0.1 . 1 . . . . 79 LYS CB . 26806 1 311 . 1 1 69 69 LYS N N 15 117.39 0.1 . 1 . . . . 79 LYS N . 26806 1 312 . 1 1 70 70 ASN H H 1 7.55 0.01 . 1 . . . . 80 ASN H . 26806 1 313 . 1 1 70 70 ASN C C 13 177.29 0.1 . 1 . . . . 80 ASN C . 26806 1 314 . 1 1 70 70 ASN CA C 13 54.85 0.1 . 1 . . . . 80 ASN CA . 26806 1 315 . 1 1 70 70 ASN CB C 13 42.39 0.1 . 1 . . . . 80 ASN CB . 26806 1 316 . 1 1 70 70 ASN N N 15 112.64 0.1 . 1 . . . . 80 ASN N . 26806 1 317 . 1 1 71 71 CYS H H 1 8.2 0.01 . 1 . . . . 81 CYS H . 26806 1 318 . 1 1 71 71 CYS C C 13 174.98 0.1 . 1 . . . . 81 CYS C . 26806 1 319 . 1 1 71 71 CYS CA C 13 59.4 0.1 . 1 . . . . 81 CYS CA . 26806 1 320 . 1 1 71 71 CYS CB C 13 29.48 0.1 . 1 . . . . 81 CYS CB . 26806 1 321 . 1 1 71 71 CYS N N 15 117.2 0.1 . 1 . . . . 81 CYS N . 26806 1 322 . 1 1 72 72 GLY H H 1 8.02 0.01 . 1 . . . . 82 GLY H . 26806 1 323 . 1 1 72 72 GLY CA C 13 44.85 0.1 . 1 . . . . 82 GLY CA . 26806 1 324 . 1 1 72 72 GLY N N 15 105.98 0.1 . 1 . . . . 82 GLY N . 26806 1 325 . 1 1 73 73 HIS C C 13 175.86 0.1 . 1 . . . . 83 HIS C . 26806 1 326 . 1 1 73 73 HIS CA C 13 60.56 0.1 . 1 . . . . 83 HIS CA . 26806 1 327 . 1 1 73 73 HIS CB C 13 31.03 0.1 . 1 . . . . 83 HIS CB . 26806 1 328 . 1 1 74 74 ARG H H 1 8.51 0.01 . 1 . . . . 84 ARG H . 26806 1 329 . 1 1 74 74 ARG C C 13 176.61 0.1 . 1 . . . . 84 ARG C . 26806 1 330 . 1 1 74 74 ARG CA C 13 58.41 0.1 . 1 . . . . 84 ARG CA . 26806 1 331 . 1 1 74 74 ARG CB C 13 30.19 0.1 . 1 . . . . 84 ARG CB . 26806 1 332 . 1 1 74 74 ARG N N 15 112.81 0.1 . 1 . . . . 84 ARG N . 26806 1 333 . 1 1 75 75 PHE H H 1 7.35 0.01 . 1 . . . . 85 PHE H . 26806 1 334 . 1 1 75 75 PHE C C 13 176.27 0.1 . 1 . . . . 85 PHE C . 26806 1 335 . 1 1 75 75 PHE CA C 13 60.42 0.1 . 1 . . . . 85 PHE CA . 26806 1 336 . 1 1 75 75 PHE CB C 13 42.15 0.1 . 1 . . . . 85 PHE CB . 26806 1 337 . 1 1 75 75 PHE N N 15 117.78 0.1 . 1 . . . . 85 PHE N . 26806 1 338 . 1 1 76 76 HIS H H 1 8.08 0.01 . 1 . . . . 86 HIS H . 26806 1 339 . 1 1 76 76 HIS C C 13 176.51 0.1 . 1 . . . . 86 HIS C . 26806 1 340 . 1 1 76 76 HIS CA C 13 57.32 0.1 . 1 . . . . 86 HIS CA . 26806 1 341 . 1 1 76 76 HIS CB C 13 31.56 0.1 . 1 . . . . 86 HIS CB . 26806 1 342 . 1 1 76 76 HIS N N 15 120.36 0.1 . 1 . . . . 86 HIS N . 26806 1 343 . 1 1 77 77 VAL H H 1 8.08 0.01 . 1 . . . . 87 VAL H . 26806 1 344 . 1 1 77 77 VAL C C 13 177.29 0.1 . 1 . . . . 87 VAL C . 26806 1 345 . 1 1 77 77 VAL CA C 13 64.53 0.1 . 1 . . . . 87 VAL CA . 26806 1 346 . 1 1 77 77 VAL CB C 13 31.7 0.1 . 1 . . . . 87 VAL CB . 26806 1 347 . 1 1 77 77 VAL N N 15 111.82 0.1 . 1 . . . . 87 VAL N . 26806 1 348 . 1 1 78 78 LEU H H 1 6.69 0.01 . 1 . . . . 88 LEU H . 26806 1 349 . 1 1 78 78 LEU C C 13 178.6 0.1 . 1 . . . . 88 LEU C . 26806 1 350 . 1 1 78 78 LEU CA C 13 56.35 0.1 . 1 . . . . 88 LEU CA . 26806 1 351 . 1 1 78 78 LEU CB C 13 41.93 0.1 . 1 . . . . 88 LEU CB . 26806 1 352 . 1 1 78 78 LEU N N 15 117.88 0.1 . 1 . . . . 88 LEU N . 26806 1 353 . 1 1 79 79 VAL H H 1 6.78 0.01 . 1 . . . . 89 VAL H . 26806 1 354 . 1 1 79 79 VAL C C 13 173.63 0.1 . 1 . . . . 89 VAL C . 26806 1 355 . 1 1 79 79 VAL CA C 13 62.55 0.1 . 1 . . . . 89 VAL CA . 26806 1 356 . 1 1 79 79 VAL CB C 13 30.94 0.1 . 1 . . . . 89 VAL CB . 26806 1 357 . 1 1 79 79 VAL N N 15 114.53 0.1 . 1 . . . . 89 VAL N . 26806 1 358 . 1 1 80 80 ALA H H 1 7.56 0.01 . 1 . . . . 90 ALA H . 26806 1 359 . 1 1 80 80 ALA C C 13 176.7 0.1 . 1 . . . . 90 ALA C . 26806 1 360 . 1 1 80 80 ALA CA C 13 51.85 0.1 . 1 . . . . 90 ALA CA . 26806 1 361 . 1 1 80 80 ALA CB C 13 19.79 0.1 . 1 . . . . 90 ALA CB . 26806 1 362 . 1 1 80 80 ALA N N 15 116.01 0.1 . 1 . . . . 90 ALA N . 26806 1 363 . 1 1 81 81 SER H H 1 6.94 0.01 . 1 . . . . 91 SER H . 26806 1 364 . 1 1 81 81 SER C C 13 175.08 0.1 . 1 . . . . 91 SER C . 26806 1 365 . 1 1 81 81 SER CA C 13 57.91 0.1 . 1 . . . . 91 SER CA . 26806 1 366 . 1 1 81 81 SER CB C 13 64.71 0.1 . 1 . . . . 91 SER CB . 26806 1 367 . 1 1 81 81 SER N N 15 110.28 0.1 . 1 . . . . 91 SER N . 26806 1 368 . 1 1 82 82 GLN H H 1 9.26 0.01 . 1 . . . . 92 GLN H . 26806 1 369 . 1 1 82 82 GLN C C 13 177.11 0.1 . 1 . . . . 92 GLN C . 26806 1 370 . 1 1 82 82 GLN CA C 13 60 0.1 . 1 . . . . 92 GLN CA . 26806 1 371 . 1 1 82 82 GLN CB C 13 27.97 0.1 . 1 . . . . 92 GLN CB . 26806 1 372 . 1 1 82 82 GLN N N 15 125.25 0.1 . 1 . . . . 92 GLN N . 26806 1 373 . 1 1 83 83 ASP H H 1 8.43 0.01 . 1 . . . . 93 ASP H . 26806 1 374 . 1 1 83 83 ASP C C 13 178.67 0.1 . 1 . . . . 93 ASP C . 26806 1 375 . 1 1 83 83 ASP CA C 13 57.18 0.1 . 1 . . . . 93 ASP CA . 26806 1 376 . 1 1 83 83 ASP CB C 13 41.55 0.1 . 1 . . . . 93 ASP CB . 26806 1 377 . 1 1 83 83 ASP N N 15 115.34 0.1 . 1 . . . . 93 ASP N . 26806 1 378 . 1 1 84 84 PHE H H 1 7.85 0.01 . 1 . . . . 94 PHE H . 26806 1 379 . 1 1 84 84 PHE C C 13 176.81 0.1 . 1 . . . . 94 PHE C . 26806 1 380 . 1 1 84 84 PHE CA C 13 62.42 0.1 . 1 . . . . 94 PHE CA . 26806 1 381 . 1 1 84 84 PHE CB C 13 39.23 0.1 . 1 . . . . 94 PHE CB . 26806 1 382 . 1 1 84 84 PHE N N 15 122.11 0.1 . 1 . . . . 94 PHE N . 26806 1 383 . 1 1 85 85 VAL H H 1 8.51 0.01 . 1 . . . . 95 VAL H . 26806 1 384 . 1 1 85 85 VAL C C 13 178.97 0.1 . 1 . . . . 95 VAL C . 26806 1 385 . 1 1 85 85 VAL CA C 13 67.62 0.1 . 1 . . . . 95 VAL CA . 26806 1 386 . 1 1 85 85 VAL CB C 13 31.83 0.1 . 1 . . . . 95 VAL CB . 26806 1 387 . 1 1 85 85 VAL N N 15 118.5 0.1 . 1 . . . . 95 VAL N . 26806 1 388 . 1 1 86 86 GLU H H 1 9.02 0.01 . 1 . . . . 96 GLU H . 26806 1 389 . 1 1 86 86 GLU C C 13 178.12 0.1 . 1 . . . . 96 GLU C . 26806 1 390 . 1 1 86 86 GLU CA C 13 60.48 0.1 . 1 . . . . 96 GLU CA . 26806 1 391 . 1 1 86 86 GLU CB C 13 30.16 0.1 . 1 . . . . 96 GLU CB . 26806 1 392 . 1 1 86 86 GLU N N 15 118.38 0.1 . 1 . . . . 96 GLU N . 26806 1 393 . 1 1 87 87 SER H H 1 7.89 0.01 . 1 . . . . 97 SER H . 26806 1 394 . 1 1 87 87 SER C C 13 174.52 0.1 . 1 . . . . 97 SER C . 26806 1 395 . 1 1 87 87 SER CA C 13 61.75 0.1 . 1 . . . . 97 SER CA . 26806 1 396 . 1 1 87 87 SER CB C 13 63.9 0.1 . 1 . . . . 97 SER CB . 26806 1 397 . 1 1 87 87 SER N N 15 112.2 0.1 . 1 . . . . 97 SER N . 26806 1 398 . 1 1 88 88 VAL H H 1 7.85 0.01 . 1 . . . . 98 VAL H . 26806 1 399 . 1 1 88 88 VAL C C 13 175.85 0.1 . 1 . . . . 98 VAL C . 26806 1 400 . 1 1 88 88 VAL CA C 13 64.04 0.1 . 1 . . . . 98 VAL CA . 26806 1 401 . 1 1 88 88 VAL CB C 13 31.77 0.1 . 1 . . . . 98 VAL CB . 26806 1 402 . 1 1 88 88 VAL N N 15 117.89 0.1 . 1 . . . . 98 VAL N . 26806 1 403 . 1 1 89 89 LEU H H 1 6.98 0.01 . 1 . . . . 99 LEU H . 26806 1 404 . 1 1 89 89 LEU C C 13 176.77 0.1 . 1 . . . . 99 LEU C . 26806 1 405 . 1 1 89 89 LEU CA C 13 57.68 0.1 . 1 . . . . 99 LEU CA . 26806 1 406 . 1 1 89 89 LEU CB C 13 40.92 0.1 . 1 . . . . 99 LEU CB . 26806 1 407 . 1 1 89 89 LEU N N 15 117.68 0.1 . 1 . . . . 99 LEU N . 26806 1 408 . 1 1 90 90 VAL H H 1 8.71 0.01 . 1 . . . . 100 VAL H . 26806 1 409 . 1 1 90 90 VAL C C 13 178.57 0.1 . 1 . . . . 100 VAL C . 26806 1 410 . 1 1 90 90 VAL CA C 13 67.33 0.1 . 1 . . . . 100 VAL CA . 26806 1 411 . 1 1 90 90 VAL CB C 13 30.66 0.1 . 1 . . . . 100 VAL CB . 26806 1 412 . 1 1 90 90 VAL N N 15 118.77 0.1 . 1 . . . . 100 VAL N . 26806 1 413 . 1 1 91 91 ARG H H 1 7.28 0.01 . 1 . . . . 101 ARG H . 26806 1 414 . 1 1 91 91 ARG C C 13 177.9 0.1 . 1 . . . . 101 ARG C . 26806 1 415 . 1 1 91 91 ARG CA C 13 59.27 0.1 . 1 . . . . 101 ARG CA . 26806 1 416 . 1 1 91 91 ARG CB C 13 30.15 0.1 . 1 . . . . 101 ARG CB . 26806 1 417 . 1 1 91 91 ARG N N 15 115.23 0.1 . 1 . . . . 101 ARG N . 26806 1 418 . 1 1 92 92 THR H H 1 6.72 0.01 . 1 . . . . 102 THR H . 26806 1 419 . 1 1 92 92 THR C C 13 174.86 0.1 . 1 . . . . 102 THR C . 26806 1 420 . 1 1 92 92 THR CA C 13 65.56 0.1 . 1 . . . . 102 THR CA . 26806 1 421 . 1 1 92 92 THR CB C 13 69.11 0.1 . 1 . . . . 102 THR CB . 26806 1 422 . 1 1 92 92 THR N N 15 111.64 0.1 . 1 . . . . 102 THR N . 26806 1 423 . 1 1 93 93 ILE H H 1 7.35 0.01 . 1 . . . . 103 ILE H . 26806 1 424 . 1 1 93 93 ILE C C 13 174.63 0.1 . 1 . . . . 103 ILE C . 26806 1 425 . 1 1 93 93 ILE CA C 13 60.26 0.1 . 1 . . . . 103 ILE CA . 26806 1 426 . 1 1 93 93 ILE CB C 13 37.63 0.1 . 1 . . . . 103 ILE CB . 26806 1 427 . 1 1 93 93 ILE N N 15 108.82 0.1 . 1 . . . . 103 ILE N . 26806 1 428 . 1 1 94 94 LEU H H 1 7.12 0.01 . 1 . . . . 104 LEU H . 26806 1 429 . 1 1 94 94 LEU CA C 13 54.09 0.1 . 1 . . . . 104 LEU CA . 26806 1 430 . 1 1 94 94 LEU CB C 13 41 0.1 . 1 . . . . 104 LEU CB . 26806 1 431 . 1 1 94 94 LEU N N 15 123.46 0.1 . 1 . . . . 104 LEU N . 26806 1 432 . 1 1 95 95 PRO C C 13 176.53 0.1 . 1 . . . . 105 PRO C . 26806 1 433 . 1 1 95 95 PRO CA C 13 55.45 0.1 . 1 . . . . 105 PRO CA . 26806 1 434 . 1 1 95 95 PRO CB C 13 42.05 0.1 . 1 . . . . 105 PRO CB . 26806 1 435 . 1 1 96 96 LYS H H 1 7.8 0.01 . 1 . . . . 106 LYS H . 26806 1 436 . 1 1 96 96 LYS C C 13 176.73 0.1 . 1 . . . . 106 LYS C . 26806 1 437 . 1 1 96 96 LYS CA C 13 57.87 0.1 . 1 . . . . 106 LYS CA . 26806 1 438 . 1 1 96 96 LYS CB C 13 31.52 0.1 . 1 . . . . 106 LYS CB . 26806 1 439 . 1 1 96 96 LYS N N 15 126.48 0.1 . 1 . . . . 106 LYS N . 26806 1 440 . 1 1 97 97 ASN H H 1 8.3 0.01 . 1 . . . . 107 ASN H . 26806 1 441 . 1 1 97 97 ASN C C 13 174.58 0.1 . 1 . . . . 107 ASN C . 26806 1 442 . 1 1 97 97 ASN CA C 13 53 0.1 . 1 . . . . 107 ASN CA . 26806 1 443 . 1 1 97 97 ASN CB C 13 39.52 0.1 . 1 . . . . 107 ASN CB . 26806 1 444 . 1 1 97 97 ASN N N 15 117.5 0.1 . 1 . . . . 107 ASN N . 26806 1 445 . 1 1 98 98 ASN H H 1 8.07 0.01 . 1 . . . . 108 ASN H . 26806 1 446 . 1 1 98 98 ASN CA C 13 53.95 0.1 . 1 . . . . 108 ASN CA . 26806 1 447 . 1 1 98 98 ASN CB C 13 38.62 0.1 . 1 . . . . 108 ASN CB . 26806 1 448 . 1 1 98 98 ASN N N 15 114.08 0.1 . 1 . . . . 108 ASN N . 26806 1 449 . 1 1 100 100 PRO C C 13 179.05 0.1 . 1 . . . . 110 PRO C . 26806 1 450 . 1 1 101 101 THR H H 1 8.35 0.01 . 1 . . . . 111 THR H . 26806 1 451 . 1 1 101 101 THR C C 13 176 0.1 . 1 . . . . 111 THR C . 26806 1 452 . 1 1 101 101 THR CA C 13 66.97 0.1 . 1 . . . . 111 THR CA . 26806 1 453 . 1 1 101 101 THR CB C 13 68.75 0.1 . 1 . . . . 111 THR CB . 26806 1 454 . 1 1 101 101 THR N N 15 117.48 0.1 . 1 . . . . 111 THR N . 26806 1 455 . 1 1 102 102 ILE H H 1 8.31 0.01 . 1 . . . . 112 ILE H . 26806 1 456 . 1 1 102 102 ILE C C 13 177.84 0.1 . 1 . . . . 112 ILE C . 26806 1 457 . 1 1 102 102 ILE CA C 13 64.98 0.1 . 1 . . . . 112 ILE CA . 26806 1 458 . 1 1 102 102 ILE CB C 13 37.99 0.1 . 1 . . . . 112 ILE CB . 26806 1 459 . 1 1 102 102 ILE N N 15 115.62 0.1 . 1 . . . . 112 ILE N . 26806 1 460 . 1 1 103 103 VAL H H 1 6.85 0.01 . 1 . . . . 113 VAL H . 26806 1 461 . 1 1 103 103 VAL C C 13 176.34 0.1 . 1 . . . . 113 VAL C . 26806 1 462 . 1 1 103 103 VAL CA C 13 65.38 0.1 . 1 . . . . 113 VAL CA . 26806 1 463 . 1 1 103 103 VAL CB C 13 32.21 0.1 . 1 . . . . 113 VAL CB . 26806 1 464 . 1 1 103 103 VAL N N 15 121.71 0.1 . 1 . . . . 113 VAL N . 26806 1 465 . 1 1 104 104 HIS H H 1 7.73 0.01 . 1 . . . . 114 HIS H . 26806 1 466 . 1 1 104 104 HIS C C 13 176.2 0.1 . 1 . . . . 114 HIS C . 26806 1 467 . 1 1 104 104 HIS CA C 13 60.64 0.1 . 1 . . . . 114 HIS CA . 26806 1 468 . 1 1 104 104 HIS CB C 13 30.19 0.1 . 1 . . . . 114 HIS CB . 26806 1 469 . 1 1 104 104 HIS N N 15 119.86 0.1 . 1 . . . . 114 HIS N . 26806 1 470 . 1 1 105 105 ASP H H 1 8.93 0.01 . 1 . . . . 115 ASP H . 26806 1 471 . 1 1 105 105 ASP C C 13 178.4 0.1 . 1 . . . . 115 ASP C . 26806 1 472 . 1 1 105 105 ASP CA C 13 56.97 0.1 . 1 . . . . 115 ASP CA . 26806 1 473 . 1 1 105 105 ASP CB C 13 39.84 0.1 . 1 . . . . 115 ASP CB . 26806 1 474 . 1 1 105 105 ASP N N 15 115.91 0.1 . 1 . . . . 115 ASP N . 26806 1 475 . 1 1 106 106 LYS H H 1 7.65 0.01 . 1 . . . . 116 LYS H . 26806 1 476 . 1 1 106 106 LYS C C 13 178.3 0.1 . 1 . . . . 116 LYS C . 26806 1 477 . 1 1 106 106 LYS CA C 13 58.41 0.1 . 1 . . . . 116 LYS CA . 26806 1 478 . 1 1 106 106 LYS CB C 13 31.67 0.1 . 1 . . . . 116 LYS CB . 26806 1 479 . 1 1 106 106 LYS N N 15 120.74 0.1 . 1 . . . . 116 LYS N . 26806 1 480 . 1 1 107 107 VAL H H 1 8.38 0.01 . 1 . . . . 117 VAL H . 26806 1 481 . 1 1 107 107 VAL C C 13 177.4 0.1 . 1 . . . . 117 VAL C . 26806 1 482 . 1 1 107 107 VAL CA C 13 68.08 0.1 . 1 . . . . 117 VAL CA . 26806 1 483 . 1 1 107 107 VAL CB C 13 31.24 0.1 . 1 . . . . 117 VAL CB . 26806 1 484 . 1 1 107 107 VAL N N 15 118.07 0.1 . 1 . . . . 117 VAL N . 26806 1 485 . 1 1 108 108 LEU H H 1 7.84 0.01 . 1 . . . . 118 LEU H . 26806 1 486 . 1 1 108 108 LEU C C 13 179.29 0.1 . 1 . . . . 118 LEU C . 26806 1 487 . 1 1 108 108 LEU CA C 13 58.14 0.1 . 1 . . . . 118 LEU CA . 26806 1 488 . 1 1 108 108 LEU CB C 13 40.59 0.1 . 1 . . . . 118 LEU CB . 26806 1 489 . 1 1 108 108 LEU N N 15 118.07 0.1 . 1 . . . . 118 LEU N . 26806 1 490 . 1 1 109 109 ASN H H 1 8.21 0.01 . 1 . . . . 119 ASN H . 26806 1 491 . 1 1 109 109 ASN C C 13 178.21 0.1 . 1 . . . . 119 ASN C . 26806 1 492 . 1 1 109 109 ASN CA C 13 56.48 0.1 . 1 . . . . 119 ASN CA . 26806 1 493 . 1 1 109 109 ASN CB C 13 38.97 0.1 . 1 . . . . 119 ASN CB . 26806 1 494 . 1 1 109 109 ASN N N 15 117.83 0.1 . 1 . . . . 119 ASN N . 26806 1 495 . 1 1 110 110 LEU H H 1 8.21 0.01 . 1 . . . . 120 LEU H . 26806 1 496 . 1 1 110 110 LEU C C 13 176.93 0.1 . 1 . . . . 120 LEU C . 26806 1 497 . 1 1 110 110 LEU CA C 13 57.99 0.1 . 1 . . . . 120 LEU CA . 26806 1 498 . 1 1 110 110 LEU CB C 13 40.63 0.1 . 1 . . . . 120 LEU CB . 26806 1 499 . 1 1 110 110 LEU N N 15 123.12 0.1 . 1 . . . . 120 LEU N . 26806 1 500 . 1 1 111 111 ILE H H 1 7.82 0.01 . 1 . . . . 121 ILE H . 26806 1 501 . 1 1 111 111 ILE C C 13 177.03 0.1 . 1 . . . . 121 ILE C . 26806 1 502 . 1 1 111 111 ILE CA C 13 66.37 0.1 . 1 . . . . 121 ILE CA . 26806 1 503 . 1 1 111 111 ILE CB C 13 37.89 0.1 . 1 . . . . 121 ILE CB . 26806 1 504 . 1 1 111 111 ILE N N 15 116.34 0.1 . 1 . . . . 121 ILE N . 26806 1 505 . 1 1 112 112 GLN H H 1 7.97 0.01 . 1 . . . . 122 GLN H . 26806 1 506 . 1 1 112 112 GLN C C 13 177.42 0.1 . 1 . . . . 122 GLN C . 26806 1 507 . 1 1 112 112 GLN CA C 13 59.26 0.1 . 1 . . . . 122 GLN CA . 26806 1 508 . 1 1 112 112 GLN CB C 13 28.26 0.1 . 1 . . . . 122 GLN CB . 26806 1 509 . 1 1 112 112 GLN N N 15 117.92 0.1 . 1 . . . . 122 GLN N . 26806 1 510 . 1 1 113 113 SER H H 1 8 0.01 . 1 . . . . 123 SER H . 26806 1 511 . 1 1 113 113 SER C C 13 177.84 0.1 . 1 . . . . 123 SER C . 26806 1 512 . 1 1 113 113 SER CA C 13 61.71 0.1 . 1 . . . . 123 SER CA . 26806 1 513 . 1 1 113 113 SER CB C 13 62.9 0.1 . 1 . . . . 123 SER CB . 26806 1 514 . 1 1 113 113 SER N N 15 114.65 0.1 . 1 . . . . 123 SER N . 26806 1 515 . 1 1 114 114 TRP H H 1 8.63 0.01 . 1 . . . . 124 TRP H . 26806 1 516 . 1 1 114 114 TRP C C 13 176.82 0.1 . 1 . . . . 124 TRP C . 26806 1 517 . 1 1 114 114 TRP CA C 13 57.21 0.1 . 1 . . . . 124 TRP CA . 26806 1 518 . 1 1 114 114 TRP CB C 13 28.68 0.1 . 1 . . . . 124 TRP CB . 26806 1 519 . 1 1 114 114 TRP N N 15 124.53 0.1 . 1 . . . . 124 TRP N . 26806 1 520 . 1 1 115 115 ALA H H 1 8.52 0.01 . 1 . . . . 125 ALA H . 26806 1 521 . 1 1 115 115 ALA C C 13 179.05 0.1 . 1 . . . . 125 ALA C . 26806 1 522 . 1 1 115 115 ALA CA C 13 55.68 0.1 . 1 . . . . 125 ALA CA . 26806 1 523 . 1 1 115 115 ALA CB C 13 18.35 0.1 . 1 . . . . 125 ALA CB . 26806 1 524 . 1 1 115 115 ALA N N 15 120.86 0.1 . 1 . . . . 125 ALA N . 26806 1 525 . 1 1 116 116 ASP H H 1 7.78 0.01 . 1 . . . . 126 ASP H . 26806 1 526 . 1 1 116 116 ASP C C 13 178.64 0.1 . 1 . . . . 126 ASP C . 26806 1 527 . 1 1 116 116 ASP CA C 13 56.9 0.1 . 1 . . . . 126 ASP CA . 26806 1 528 . 1 1 116 116 ASP CB C 13 40.85 0.1 . 1 . . . . 126 ASP CB . 26806 1 529 . 1 1 116 116 ASP N N 15 114.29 0.1 . 1 . . . . 126 ASP N . 26806 1 530 . 1 1 117 117 ALA H H 1 7.76 0.01 . 1 . . . . 127 ALA H . 26806 1 531 . 1 1 117 117 ALA C C 13 180.44 0.1 . 1 . . . . 127 ALA C . 26806 1 532 . 1 1 117 117 ALA CA C 13 54.5 0.1 . 1 . . . . 127 ALA CA . 26806 1 533 . 1 1 117 117 ALA CB C 13 18.55 0.1 . 1 . . . . 127 ALA CB . 26806 1 534 . 1 1 117 117 ALA N N 15 121.13 0.1 . 1 . . . . 127 ALA N . 26806 1 535 . 1 1 118 118 PHE H H 1 8.65 0.01 . 1 . . . . 128 PHE H . 26806 1 536 . 1 1 118 118 PHE C C 13 177.59 0.1 . 1 . . . . 128 PHE C . 26806 1 537 . 1 1 118 118 PHE CA C 13 54.84 0.1 . 1 . . . . 128 PHE CA . 26806 1 538 . 1 1 118 118 PHE CB C 13 37.86 0.1 . 1 . . . . 128 PHE CB . 26806 1 539 . 1 1 118 118 PHE N N 15 116.27 0.1 . 1 . . . . 128 PHE N . 26806 1 540 . 1 1 119 119 ARG H H 1 7.38 0.01 . 1 . . . . 129 ARG H . 26806 1 541 . 1 1 119 119 ARG CA C 13 59.81 0.1 . 1 . . . . 129 ARG CA . 26806 1 542 . 1 1 119 119 ARG CB C 13 30 0.1 . 1 . . . . 129 ARG CB . 26806 1 543 . 1 1 119 119 ARG N N 15 119.3 0.1 . 1 . . . . 129 ARG N . 26806 1 544 . 1 1 122 122 PRO C C 13 176.85 0.1 . 1 . . . . 132 PRO C . 26806 1 545 . 1 1 122 122 PRO CA C 13 64.89 0.1 . 1 . . . . 132 PRO CA . 26806 1 546 . 1 1 122 122 PRO CB C 13 32.09 0.1 . 1 . . . . 132 PRO CB . 26806 1 547 . 1 1 123 123 ASP H H 1 8.54 0.01 . 1 . . . . 133 ASP H . 26806 1 548 . 1 1 123 123 ASP C C 13 176.31 0.1 . 1 . . . . 133 ASP C . 26806 1 549 . 1 1 123 123 ASP CA C 13 54.28 0.1 . 1 . . . . 133 ASP CA . 26806 1 550 . 1 1 123 123 ASP CB C 13 40.09 0.1 . 1 . . . . 133 ASP CB . 26806 1 551 . 1 1 123 123 ASP N N 15 114.45 0.1 . 1 . . . . 133 ASP N . 26806 1 552 . 1 1 124 124 LEU H H 1 7.53 0.01 . 1 . . . . 134 LEU H . 26806 1 553 . 1 1 124 124 LEU C C 13 175.84 0.1 . 1 . . . . 134 LEU C . 26806 1 554 . 1 1 124 124 LEU CA C 13 54.02 0.1 . 1 . . . . 134 LEU CA . 26806 1 555 . 1 1 124 124 LEU CB C 13 41.14 0.1 . 1 . . . . 134 LEU CB . 26806 1 556 . 1 1 124 124 LEU N N 15 119.92 0.1 . 1 . . . . 134 LEU N . 26806 1 557 . 1 1 125 125 THR H H 1 7.19 0.01 . 1 . . . . 135 THR H . 26806 1 558 . 1 1 125 125 THR C C 13 177.25 0.1 . 1 . . . . 135 THR C . 26806 1 559 . 1 1 125 125 THR CA C 13 64.3 0.1 . 1 . . . . 135 THR CA . 26806 1 560 . 1 1 125 125 THR CB C 13 70.02 0.1 . 1 . . . . 135 THR CB . 26806 1 561 . 1 1 125 125 THR N N 15 106.6 0.1 . 1 . . . . 135 THR N . 26806 1 562 . 1 1 126 126 GLY H H 1 9.16 0.01 . 1 . . . . 136 GLY H . 26806 1 563 . 1 1 126 126 GLY C C 13 176.85 0.1 . 1 . . . . 136 GLY C . 26806 1 564 . 1 1 126 126 GLY CA C 13 48.59 0.1 . 1 . . . . 136 GLY CA . 26806 1 565 . 1 1 126 126 GLY N N 15 114.02 0.1 . 1 . . . . 136 GLY N . 26806 1 566 . 1 1 127 127 VAL H H 1 7.97 0.01 . 1 . . . . 137 VAL H . 26806 1 567 . 1 1 127 127 VAL C C 13 174.98 0.1 . 1 . . . . 137 VAL C . 26806 1 568 . 1 1 127 127 VAL CA C 13 64.73 0.1 . 1 . . . . 137 VAL CA . 26806 1 569 . 1 1 127 127 VAL CB C 13 32.01 0.1 . 1 . . . . 137 VAL CB . 26806 1 570 . 1 1 127 127 VAL N N 15 117.92 0.1 . 1 . . . . 137 VAL N . 26806 1 571 . 1 1 128 128 VAL H H 1 7.27 0.01 . 1 . . . . 138 VAL H . 26806 1 572 . 1 1 128 128 VAL C C 13 177.95 0.1 . 1 . . . . 138 VAL C . 26806 1 573 . 1 1 128 128 VAL CA C 13 66.72 0.1 . 1 . . . . 138 VAL CA . 26806 1 574 . 1 1 128 128 VAL CB C 13 31.57 0.1 . 1 . . . . 138 VAL CB . 26806 1 575 . 1 1 128 128 VAL N N 15 123.13 0.1 . 1 . . . . 138 VAL N . 26806 1 576 . 1 1 129 129 THR H H 1 8.42 0.01 . 1 . . . . 139 THR H . 26806 1 577 . 1 1 129 129 THR C C 13 177.1 0.1 . 1 . . . . 139 THR C . 26806 1 578 . 1 1 129 129 THR CA C 13 66.27 0.1 . 1 . . . . 139 THR CA . 26806 1 579 . 1 1 129 129 THR CB C 13 69.15 0.1 . 1 . . . . 139 THR CB . 26806 1 580 . 1 1 129 129 THR N N 15 115.79 0.1 . 1 . . . . 139 THR N . 26806 1 581 . 1 1 130 130 ILE H H 1 7.87 0.01 . 1 . . . . 140 ILE H . 26806 1 582 . 1 1 130 130 ILE C C 13 177.64 0.1 . 1 . . . . 140 ILE C . 26806 1 583 . 1 1 130 130 ILE CA C 13 64.11 0.1 . 1 . . . . 140 ILE CA . 26806 1 584 . 1 1 130 130 ILE CB C 13 37.42 0.1 . 1 . . . . 140 ILE CB . 26806 1 585 . 1 1 130 130 ILE N N 15 121.18 0.1 . 1 . . . . 140 ILE N . 26806 1 586 . 1 1 131 131 TYR H H 1 8.51 0.01 . 1 . . . . 141 TYR H . 26806 1 587 . 1 1 131 131 TYR C C 13 176.75 0.1 . 1 . . . . 141 TYR C . 26806 1 588 . 1 1 131 131 TYR CA C 13 61.81 0.1 . 1 . . . . 141 TYR CA . 26806 1 589 . 1 1 131 131 TYR CB C 13 38.11 0.1 . 1 . . . . 141 TYR CB . 26806 1 590 . 1 1 131 131 TYR N N 15 120.71 0.1 . 1 . . . . 141 TYR N . 26806 1 591 . 1 1 132 132 GLU H H 1 8.24 0.01 . 1 . . . . 142 GLU H . 26806 1 592 . 1 1 132 132 GLU C C 13 179.28 0.1 . 1 . . . . 142 GLU C . 26806 1 593 . 1 1 132 132 GLU CA C 13 59.22 0.1 . 1 . . . . 142 GLU CA . 26806 1 594 . 1 1 132 132 GLU CB C 13 28.87 0.1 . 1 . . . . 142 GLU CB . 26806 1 595 . 1 1 132 132 GLU N N 15 116.57 0.1 . 1 . . . . 142 GLU N . 26806 1 596 . 1 1 133 133 ASP H H 1 7.89 0.01 . 1 . . . . 143 ASP H . 26806 1 597 . 1 1 133 133 ASP C C 13 178.55 0.1 . 1 . . . . 143 ASP C . 26806 1 598 . 1 1 133 133 ASP CA C 13 57.43 0.1 . 1 . . . . 143 ASP CA . 26806 1 599 . 1 1 133 133 ASP CB C 13 41.39 0.1 . 1 . . . . 143 ASP CB . 26806 1 600 . 1 1 133 133 ASP N N 15 120.28 0.1 . 1 . . . . 143 ASP N . 26806 1 601 . 1 1 134 134 LEU H H 1 8.45 0.01 . 1 . . . . 144 LEU H . 26806 1 602 . 1 1 134 134 LEU C C 13 180.15 0.1 . 1 . . . . 144 LEU C . 26806 1 603 . 1 1 134 134 LEU CA C 13 58.02 0.1 . 1 . . . . 144 LEU CA . 26806 1 604 . 1 1 134 134 LEU CB C 13 41.52 0.1 . 1 . . . . 144 LEU CB . 26806 1 605 . 1 1 134 134 LEU N N 15 120.22 0.1 . 1 . . . . 144 LEU N . 26806 1 606 . 1 1 135 135 ARG H H 1 8.18 0.01 . 1 . . . . 145 ARG H . 26806 1 607 . 1 1 135 135 ARG C C 13 179.06 0.1 . 1 . . . . 145 ARG C . 26806 1 608 . 1 1 135 135 ARG CA C 13 58.29 0.1 . 1 . . . . 145 ARG CA . 26806 1 609 . 1 1 135 135 ARG CB C 13 29.58 0.1 . 1 . . . . 145 ARG CB . 26806 1 610 . 1 1 135 135 ARG N N 15 118.64 0.1 . 1 . . . . 145 ARG N . 26806 1 611 . 1 1 136 136 ARG H H 1 7.77 0.01 . 1 . . . . 146 ARG H . 26806 1 612 . 1 1 136 136 ARG C C 13 177.88 0.1 . 1 . . . . 146 ARG C . 26806 1 613 . 1 1 136 136 ARG CA C 13 58.47 0.1 . 1 . . . . 146 ARG CA . 26806 1 614 . 1 1 136 136 ARG CB C 13 30.32 0.1 . 1 . . . . 146 ARG CB . 26806 1 615 . 1 1 136 136 ARG N N 15 119.6 0.1 . 1 . . . . 146 ARG N . 26806 1 616 . 1 1 137 137 LYS H H 1 7.94 0.01 . 1 . . . . 147 LYS H . 26806 1 617 . 1 1 137 137 LYS C C 13 177.14 0.1 . 1 . . . . 147 LYS C . 26806 1 618 . 1 1 137 137 LYS CA C 13 57.23 0.1 . 1 . . . . 147 LYS CA . 26806 1 619 . 1 1 137 137 LYS CB C 13 33.32 0.1 . 1 . . . . 147 LYS CB . 26806 1 620 . 1 1 137 137 LYS N N 15 118.05 0.1 . 1 . . . . 147 LYS N . 26806 1 621 . 1 1 138 138 GLY H H 1 7.91 0.01 . 1 . . . . 148 GLY H . 26806 1 622 . 1 1 138 138 GLY C C 13 173.23 0.1 . 1 . . . . 148 GLY C . 26806 1 623 . 1 1 138 138 GLY CA C 13 45.47 0.1 . 1 . . . . 148 GLY CA . 26806 1 624 . 1 1 138 138 GLY N N 15 108.57 0.1 . 1 . . . . 148 GLY N . 26806 1 625 . 1 1 139 139 LEU H H 1 7.62 0.01 . 1 . . . . 149 LEU H . 26806 1 626 . 1 1 139 139 LEU CA C 13 56.81 0.1 . 1 . . . . 149 LEU CA . 26806 1 627 . 1 1 139 139 LEU CB C 13 43.33 0.1 . 1 . . . . 149 LEU CB . 26806 1 628 . 1 1 139 139 LEU N N 15 126.58 0.1 . 1 . . . . 149 LEU N . 26806 1 stop_ save_