data_27106 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27106 _Entry.Title ; Human BRM AT-hook and Bromodomain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-05-15 _Entry.Accession_date 2017-05-15 _Entry.Last_release_date 2017-05-15 _Entry.Original_release_date 2017-05-15 _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 'Backbone resonance assignments for the human BRM AT-hook and Bromodomain' _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 Emma Morrison . A. . . 27106 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27106 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 190 27106 '15N chemical shifts' 131 27106 '1H chemical shifts' 131 27106 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 1 . . 2017-06-01 . original BMRB . 27106 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27106 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28706277 _Citation.Full_citation . _Citation.Title ; DNA binding drives the association of BRG1/hBRM bromodomains with nucleosomes ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat Commun.' _Citation.Journal_name_full . _Citation.Journal_volume 8 _Citation.Journal_issue . _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 16080 _Citation.Page_last 16080 _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 Emma Morrison . A. . . 27106 1 2 Julio Sanchez . C. . . 27106 1 3 Jehnna Ronan . L. . . 27106 1 4 Daniel Farrell . P. . . 27106 1 5 Katayoun Varzavand . . . . 27106 1 6 Jenna Johnson . K. . . 27106 1 7 Brian Gu . X. . . 27106 1 8 Gerald Crabtree . R. . . 27106 1 9 Catherine Musselman . A. . . 27106 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27106 _Assembly.ID 1 _Assembly.Name 'BRM AT-BRD' _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 . _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 AT-BRD 1 $BRM_AT-BRD A . yes native no no . . . 27106 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BRM_AT-BRD _Entity.Sf_category entity _Entity.Sf_framecode BRM_AT-BRD _Entity.Entry_ID 27106 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BRM_AT-BRD _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(D) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPKEDVEKAKKRRGRPPAEK LSPNPPKLTKQMNAIIDTVI NYKDRCNVEKVPSNSQLEIE GNSSGRQLSEVFIQLPSRKE LPEYYELIRKPVDFKKIKER IRNHKYRSLGDLEKDVMLLC HNAQTFNLEGSQIYEDSIVL QSVFKSARQKIAK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Numbering starts at residue 1 (Gly) of the designed construct' _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 153 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'AT-hook and Bromodomain (AT-BRD)' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 27106 1 2 . PRO . 27106 1 3 . LYS . 27106 1 4 . GLU . 27106 1 5 . ASP . 27106 1 6 . VAL . 27106 1 7 . GLU . 27106 1 8 . LYS . 27106 1 9 . ALA . 27106 1 10 . LYS . 27106 1 11 . LYS . 27106 1 12 . ARG . 27106 1 13 . ARG . 27106 1 14 . GLY . 27106 1 15 . ARG . 27106 1 16 . PRO . 27106 1 17 . PRO . 27106 1 18 . ALA . 27106 1 19 . GLU . 27106 1 20 . LYS . 27106 1 21 . LEU . 27106 1 22 . SER . 27106 1 23 . PRO . 27106 1 24 . ASN . 27106 1 25 . PRO . 27106 1 26 . PRO . 27106 1 27 . LYS . 27106 1 28 . LEU . 27106 1 29 . THR . 27106 1 30 . LYS . 27106 1 31 . GLN . 27106 1 32 . MET . 27106 1 33 . ASN . 27106 1 34 . ALA . 27106 1 35 . ILE . 27106 1 36 . ILE . 27106 1 37 . ASP . 27106 1 38 . THR . 27106 1 39 . VAL . 27106 1 40 . ILE . 27106 1 41 . ASN . 27106 1 42 . TYR . 27106 1 43 . LYS . 27106 1 44 . ASP . 27106 1 45 . ARG . 27106 1 46 . CYS . 27106 1 47 . ASN . 27106 1 48 . VAL . 27106 1 49 . GLU . 27106 1 50 . LYS . 27106 1 51 . VAL . 27106 1 52 . PRO . 27106 1 53 . SER . 27106 1 54 . ASN . 27106 1 55 . SER . 27106 1 56 . GLN . 27106 1 57 . LEU . 27106 1 58 . GLU . 27106 1 59 . ILE . 27106 1 60 . GLU . 27106 1 61 . GLY . 27106 1 62 . ASN . 27106 1 63 . SER . 27106 1 64 . SER . 27106 1 65 . GLY . 27106 1 66 . ARG . 27106 1 67 . GLN . 27106 1 68 . LEU . 27106 1 69 . SER . 27106 1 70 . GLU . 27106 1 71 . VAL . 27106 1 72 . PHE . 27106 1 73 . ILE . 27106 1 74 . GLN . 27106 1 75 . LEU . 27106 1 76 . PRO . 27106 1 77 . SER . 27106 1 78 . ARG . 27106 1 79 . LYS . 27106 1 80 . GLU . 27106 1 81 . LEU . 27106 1 82 . PRO . 27106 1 83 . GLU . 27106 1 84 . TYR . 27106 1 85 . TYR . 27106 1 86 . GLU . 27106 1 87 . LEU . 27106 1 88 . ILE . 27106 1 89 . ARG . 27106 1 90 . LYS . 27106 1 91 . PRO . 27106 1 92 . VAL . 27106 1 93 . ASP . 27106 1 94 . PHE . 27106 1 95 . LYS . 27106 1 96 . LYS . 27106 1 97 . ILE . 27106 1 98 . LYS . 27106 1 99 . GLU . 27106 1 100 . ARG . 27106 1 101 . ILE . 27106 1 102 . ARG . 27106 1 103 . ASN . 27106 1 104 . HIS . 27106 1 105 . LYS . 27106 1 106 . TYR . 27106 1 107 . ARG . 27106 1 108 . SER . 27106 1 109 . LEU . 27106 1 110 . GLY . 27106 1 111 . ASP . 27106 1 112 . LEU . 27106 1 113 . GLU . 27106 1 114 . LYS . 27106 1 115 . ASP . 27106 1 116 . VAL . 27106 1 117 . MET . 27106 1 118 . LEU . 27106 1 119 . LEU . 27106 1 120 . CYS . 27106 1 121 . HIS . 27106 1 122 . ASN . 27106 1 123 . ALA . 27106 1 124 . GLN . 27106 1 125 . THR . 27106 1 126 . PHE . 27106 1 127 . ASN . 27106 1 128 . LEU . 27106 1 129 . GLU . 27106 1 130 . GLY . 27106 1 131 . SER . 27106 1 132 . GLN . 27106 1 133 . ILE . 27106 1 134 . TYR . 27106 1 135 . GLU . 27106 1 136 . ASP . 27106 1 137 . SER . 27106 1 138 . ILE . 27106 1 139 . VAL . 27106 1 140 . LEU . 27106 1 141 . GLN . 27106 1 142 . SER . 27106 1 143 . VAL . 27106 1 144 . PHE . 27106 1 145 . LYS . 27106 1 146 . SER . 27106 1 147 . ALA . 27106 1 148 . ARG . 27106 1 149 . GLN . 27106 1 150 . LYS . 27106 1 151 . ILE . 27106 1 152 . ALA . 27106 1 153 . LYS . 27106 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 27106 1 . PRO 2 2 27106 1 . LYS 3 3 27106 1 . GLU 4 4 27106 1 . ASP 5 5 27106 1 . VAL 6 6 27106 1 . GLU 7 7 27106 1 . LYS 8 8 27106 1 . ALA 9 9 27106 1 . LYS 10 10 27106 1 . LYS 11 11 27106 1 . ARG 12 12 27106 1 . ARG 13 13 27106 1 . GLY 14 14 27106 1 . ARG 15 15 27106 1 . PRO 16 16 27106 1 . PRO 17 17 27106 1 . ALA 18 18 27106 1 . GLU 19 19 27106 1 . LYS 20 20 27106 1 . LEU 21 21 27106 1 . SER 22 22 27106 1 . PRO 23 23 27106 1 . ASN 24 24 27106 1 . PRO 25 25 27106 1 . PRO 26 26 27106 1 . LYS 27 27 27106 1 . LEU 28 28 27106 1 . THR 29 29 27106 1 . LYS 30 30 27106 1 . GLN 31 31 27106 1 . MET 32 32 27106 1 . ASN 33 33 27106 1 . ALA 34 34 27106 1 . ILE 35 35 27106 1 . ILE 36 36 27106 1 . ASP 37 37 27106 1 . THR 38 38 27106 1 . VAL 39 39 27106 1 . ILE 40 40 27106 1 . ASN 41 41 27106 1 . TYR 42 42 27106 1 . LYS 43 43 27106 1 . ASP 44 44 27106 1 . ARG 45 45 27106 1 . CYS 46 46 27106 1 . ASN 47 47 27106 1 . VAL 48 48 27106 1 . GLU 49 49 27106 1 . LYS 50 50 27106 1 . VAL 51 51 27106 1 . PRO 52 52 27106 1 . SER 53 53 27106 1 . ASN 54 54 27106 1 . SER 55 55 27106 1 . GLN 56 56 27106 1 . LEU 57 57 27106 1 . GLU 58 58 27106 1 . ILE 59 59 27106 1 . GLU 60 60 27106 1 . GLY 61 61 27106 1 . ASN 62 62 27106 1 . SER 63 63 27106 1 . SER 64 64 27106 1 . GLY 65 65 27106 1 . ARG 66 66 27106 1 . GLN 67 67 27106 1 . LEU 68 68 27106 1 . SER 69 69 27106 1 . GLU 70 70 27106 1 . VAL 71 71 27106 1 . PHE 72 72 27106 1 . ILE 73 73 27106 1 . GLN 74 74 27106 1 . LEU 75 75 27106 1 . PRO 76 76 27106 1 . SER 77 77 27106 1 . ARG 78 78 27106 1 . LYS 79 79 27106 1 . GLU 80 80 27106 1 . LEU 81 81 27106 1 . PRO 82 82 27106 1 . GLU 83 83 27106 1 . TYR 84 84 27106 1 . TYR 85 85 27106 1 . GLU 86 86 27106 1 . LEU 87 87 27106 1 . ILE 88 88 27106 1 . ARG 89 89 27106 1 . LYS 90 90 27106 1 . PRO 91 91 27106 1 . VAL 92 92 27106 1 . ASP 93 93 27106 1 . PHE 94 94 27106 1 . LYS 95 95 27106 1 . LYS 96 96 27106 1 . ILE 97 97 27106 1 . LYS 98 98 27106 1 . GLU 99 99 27106 1 . ARG 100 100 27106 1 . ILE 101 101 27106 1 . ARG 102 102 27106 1 . ASN 103 103 27106 1 . HIS 104 104 27106 1 . LYS 105 105 27106 1 . TYR 106 106 27106 1 . ARG 107 107 27106 1 . SER 108 108 27106 1 . LEU 109 109 27106 1 . GLY 110 110 27106 1 . ASP 111 111 27106 1 . LEU 112 112 27106 1 . GLU 113 113 27106 1 . LYS 114 114 27106 1 . ASP 115 115 27106 1 . VAL 116 116 27106 1 . MET 117 117 27106 1 . LEU 118 118 27106 1 . LEU 119 119 27106 1 . CYS 120 120 27106 1 . HIS 121 121 27106 1 . ASN 122 122 27106 1 . ALA 123 123 27106 1 . GLN 124 124 27106 1 . THR 125 125 27106 1 . PHE 126 126 27106 1 . ASN 127 127 27106 1 . LEU 128 128 27106 1 . GLU 129 129 27106 1 . GLY 130 130 27106 1 . SER 131 131 27106 1 . GLN 132 132 27106 1 . ILE 133 133 27106 1 . TYR 134 134 27106 1 . GLU 135 135 27106 1 . ASP 136 136 27106 1 . SER 137 137 27106 1 . ILE 138 138 27106 1 . VAL 139 139 27106 1 . LEU 140 140 27106 1 . GLN 141 141 27106 1 . SER 142 142 27106 1 . VAL 143 143 27106 1 . PHE 144 144 27106 1 . LYS 145 145 27106 1 . SER 146 146 27106 1 . ALA 147 147 27106 1 . ARG 148 148 27106 1 . GLN 149 149 27106 1 . LYS 150 150 27106 1 . ILE 151 151 27106 1 . ALA 152 152 27106 1 . LYS 153 153 27106 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 27106 _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 $BRM_AT-BRD . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . SMARCA2 . 27106 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 27106 _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 $BRM_AT-BRD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pDEST15 . . . 27106 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27106 _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 BRM '[U-100% 13C; U-100% 15N]' . . 1 $BRM_AT-BRD . . 0.5 . . mM . . . . 27106 1 2 KPi 'natural abundance' . . . . . . 50 . . mM . . . . 27106 1 3 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 27106 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 27106 _Sample_condition_list.ID 1 _Sample_condition_list.Details '50mM KPi pH 7.0, 50mM KCl, 1mM DTT' 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' 129 . mM 27106 1 pH 7.0 . pH 27106 1 pressure 1 . atm 27106 1 temperature 293 . K 27106 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 27106 _Software.ID 1 _Software.Name CCPNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27106 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27106 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27106 _Software.ID 2 _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' . . 27106 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27106 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 27106 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 27106 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 27106 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 27106 _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 . . . . . . . . . . . . . . . . 27106 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27106 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27106 1 4 HNCA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27106 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 27106 _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 water protons . . . . ppm 4.821 internal indirect 0.251449530 . . . . . 27106 1 H 1 water protons . . . . ppm 4.821 internal direct 1.0 . . . . . 27106 1 N 15 water protons . . . . ppm 4.821 internal indirect 0.101329118 . . . . . 27106 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 27106 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27106 1 2 '3D HNCACB' . . . 27106 1 3 '3D CBCA(CO)NH' . . . 27106 1 4 HNCA . . . 27106 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 3 3 LYS H H 1 8.611 0.003 . 1 . . . . 3 LYS H . 27106 1 2 . 1 1 3 3 LYS CA C 13 57.701 0.026 . 1 . . . . 3 LYS CA . 27106 1 3 . 1 1 3 3 LYS CB C 13 32.494 0.000 . 1 . . . . 3 LYS CB . 27106 1 4 . 1 1 3 3 LYS N N 15 120.334 0.020 . 1 . . . . 3 LYS N . 27106 1 5 . 1 1 4 4 GLU H H 1 8.274 0.003 . 1 . . . . 4 GLU H . 27106 1 6 . 1 1 4 4 GLU CA C 13 58.025 0.061 . 1 . . . . 4 GLU CA . 27106 1 7 . 1 1 4 4 GLU CB C 13 29.723 0.000 . 1 . . . . 4 GLU CB . 27106 1 8 . 1 1 4 4 GLU N N 15 121.151 0.018 . 1 . . . . 4 GLU N . 27106 1 9 . 1 1 5 5 ASP H H 1 8.347 0.003 . 1 . . . . 5 ASP H . 27106 1 10 . 1 1 5 5 ASP CA C 13 55.500 0.017 . 1 . . . . 5 ASP CA . 27106 1 11 . 1 1 5 5 ASP CB C 13 40.635 0.000 . 1 . . . . 5 ASP CB . 27106 1 12 . 1 1 5 5 ASP N N 15 121.779 0.023 . 1 . . . . 5 ASP N . 27106 1 13 . 1 1 6 6 VAL H H 1 8.015 0.003 . 1 . . . . 6 VAL H . 27106 1 14 . 1 1 6 6 VAL CA C 13 64.272 0.025 . 1 . . . . 6 VAL CA . 27106 1 15 . 1 1 6 6 VAL CB C 13 32.288 0.000 . 1 . . . . 6 VAL CB . 27106 1 16 . 1 1 6 6 VAL N N 15 120.975 0.017 . 1 . . . . 6 VAL N . 27106 1 17 . 1 1 7 7 GLU H H 1 8.122 0.004 . 1 . . . . 7 GLU H . 27106 1 18 . 1 1 7 7 GLU CA C 13 57.981 0.032 . 1 . . . . 7 GLU CA . 27106 1 19 . 1 1 7 7 GLU CB C 13 29.596 0.000 . 1 . . . . 7 GLU CB . 27106 1 20 . 1 1 7 7 GLU N N 15 121.621 0.019 . 1 . . . . 7 GLU N . 27106 1 21 . 1 1 8 8 LYS H H 1 8.127 0.004 . 1 . . . . 8 LYS H . 27106 1 22 . 1 1 8 8 LYS CA C 13 57.980 0.032 . 1 . . . . 8 LYS CA . 27106 1 23 . 1 1 8 8 LYS CB C 13 32.655 0.000 . 1 . . . . 8 LYS CB . 27106 1 24 . 1 1 8 8 LYS N N 15 120.720 0.020 . 1 . . . . 8 LYS N . 27106 1 25 . 1 1 9 9 ALA H H 1 7.967 0.004 . 1 . . . . 9 ALA H . 27106 1 26 . 1 1 9 9 ALA CA C 13 53.557 0.067 . 1 . . . . 9 ALA CA . 27106 1 27 . 1 1 9 9 ALA CB C 13 18.709 0.000 . 1 . . . . 9 ALA CB . 27106 1 28 . 1 1 9 9 ALA N N 15 122.499 0.018 . 1 . . . . 9 ALA N . 27106 1 29 . 1 1 10 10 LYS H H 1 7.967 0.004 . 1 . . . . 10 LYS H . 27106 1 30 . 1 1 10 10 LYS CA C 13 57.453 0.036 . 1 . . . . 10 LYS CA . 27106 1 31 . 1 1 10 10 LYS CB C 13 32.868 0.000 . 1 . . . . 10 LYS CB . 27106 1 32 . 1 1 10 10 LYS N N 15 119.225 0.015 . 1 . . . . 10 LYS N . 27106 1 33 . 1 1 11 11 LYS H H 1 8.004 0.005 . 1 . . . . 11 LYS H . 27106 1 34 . 1 1 11 11 LYS CA C 13 56.914 0.010 . 1 . . . . 11 LYS CA . 27106 1 35 . 1 1 11 11 LYS CB C 13 32.796 0.000 . 1 . . . . 11 LYS CB . 27106 1 36 . 1 1 11 11 LYS N N 15 120.855 0.020 . 1 . . . . 11 LYS N . 27106 1 37 . 1 1 12 12 ARG H H 1 8.157 0.005 . 1 . . . . 12 ARG H . 27106 1 38 . 1 1 12 12 ARG CA C 13 56.562 0.012 . 1 . . . . 12 ARG CA . 27106 1 39 . 1 1 12 12 ARG CB C 13 30.661 0.000 . 1 . . . . 12 ARG CB . 27106 1 40 . 1 1 12 12 ARG N N 15 121.509 0.023 . 1 . . . . 12 ARG N . 27106 1 41 . 1 1 13 13 ARG H H 1 8.328 0.004 . 1 . . . . 13 ARG H . 27106 1 42 . 1 1 13 13 ARG CA C 13 56.461 0.040 . 1 . . . . 13 ARG CA . 27106 1 43 . 1 1 13 13 ARG CB C 13 30.719 0.000 . 1 . . . . 13 ARG CB . 27106 1 44 . 1 1 13 13 ARG N N 15 122.138 0.020 . 1 . . . . 13 ARG N . 27106 1 45 . 1 1 14 14 GLY H H 1 8.417 0.002 . 1 . . . . 14 GLY H . 27106 1 46 . 1 1 14 14 GLY CA C 13 45.034 0.000 . 1 . . . . 14 GLY CA . 27106 1 47 . 1 1 14 14 GLY N N 15 109.858 0.022 . 1 . . . . 14 GLY N . 27106 1 48 . 1 1 15 15 ARG H H 1 8.218 0.003 . 1 . . . . 15 ARG H . 27106 1 49 . 1 1 15 15 ARG CA C 13 53.954 0.057 . 1 . . . . 15 ARG CA . 27106 1 50 . 1 1 15 15 ARG CB C 13 30.121 0.000 . 1 . . . . 15 ARG CB . 27106 1 51 . 1 1 15 15 ARG N N 15 121.731 0.024 . 1 . . . . 15 ARG N . 27106 1 52 . 1 1 18 18 ALA H H 1 8.378 0.003 . 1 . . . . 18 ALA H . 27106 1 53 . 1 1 18 18 ALA CA C 13 52.493 0.077 . 1 . . . . 18 ALA CA . 27106 1 54 . 1 1 18 18 ALA CB C 13 19.250 0.000 . 1 . . . . 18 ALA CB . 27106 1 55 . 1 1 18 18 ALA N N 15 123.896 0.015 . 1 . . . . 18 ALA N . 27106 1 56 . 1 1 19 19 GLU H H 1 8.365 0.003 . 1 . . . . 19 GLU H . 27106 1 57 . 1 1 19 19 GLU CA C 13 56.514 0.038 . 1 . . . . 19 GLU CA . 27106 1 58 . 1 1 19 19 GLU CB C 13 30.509 0.000 . 1 . . . . 19 GLU CB . 27106 1 59 . 1 1 19 19 GLU N N 15 120.603 0.024 . 1 . . . . 19 GLU N . 27106 1 60 . 1 1 20 20 LYS H H 1 8.347 0.002 . 1 . . . . 20 LYS H . 27106 1 61 . 1 1 20 20 LYS CA C 13 56.224 0.014 . 1 . . . . 20 LYS CA . 27106 1 62 . 1 1 20 20 LYS CB C 13 33.095 0.000 . 1 . . . . 20 LYS CB . 27106 1 63 . 1 1 20 20 LYS N N 15 123.123 0.021 . 1 . . . . 20 LYS N . 27106 1 64 . 1 1 21 21 LEU H H 1 8.338 0.003 . 1 . . . . 21 LEU H . 27106 1 65 . 1 1 21 21 LEU CA C 13 54.506 0.058 . 1 . . . . 21 LEU CA . 27106 1 66 . 1 1 21 21 LEU CB C 13 42.558 0.000 . 1 . . . . 21 LEU CB . 27106 1 67 . 1 1 21 21 LEU N N 15 124.442 0.015 . 1 . . . . 21 LEU N . 27106 1 68 . 1 1 22 22 SER H H 1 8.463 0.002 . 1 . . . . 22 SER H . 27106 1 69 . 1 1 22 22 SER CA C 13 56.337 0.051 . 1 . . . . 22 SER CA . 27106 1 70 . 1 1 22 22 SER CB C 13 62.765 0.000 . 1 . . . . 22 SER CB . 27106 1 71 . 1 1 22 22 SER N N 15 118.941 0.020 . 1 . . . . 22 SER N . 27106 1 72 . 1 1 24 24 ASN H H 1 6.931 0.006 . 1 . . . . 24 ASN H . 27106 1 73 . 1 1 24 24 ASN CA C 13 52.299 0.000 . 1 . . . . 24 ASN CA . 27106 1 74 . 1 1 24 24 ASN CB C 13 38.457 0.000 . 1 . . . . 24 ASN CB . 27106 1 75 . 1 1 24 24 ASN N N 15 120.412 0.048 . 1 . . . . 24 ASN N . 27106 1 76 . 1 1 27 27 LYS H H 1 8.675 0.001 . 1 . . . . 27 LYS H . 27106 1 77 . 1 1 27 27 LYS CA C 13 59.680 0.000 . 1 . . . . 27 LYS CA . 27106 1 78 . 1 1 27 27 LYS N N 15 116.819 0.025 . 1 . . . . 27 LYS N . 27106 1 79 . 1 1 28 28 LEU H H 1 7.347 0.006 . 1 . . . . 28 LEU H . 27106 1 80 . 1 1 28 28 LEU CA C 13 57.413 0.019 . 1 . . . . 28 LEU CA . 27106 1 81 . 1 1 28 28 LEU N N 15 120.286 0.055 . 1 . . . . 28 LEU N . 27106 1 82 . 1 1 29 29 THR H H 1 7.649 0.005 . 1 . . . . 29 THR H . 27106 1 83 . 1 1 29 29 THR CA C 13 68.184 0.000 . 1 . . . . 29 THR CA . 27106 1 84 . 1 1 29 29 THR N N 15 117.473 0.025 . 1 . . . . 29 THR N . 27106 1 85 . 1 1 30 30 LYS H H 1 8.247 0.003 . 1 . . . . 30 LYS H . 27106 1 86 . 1 1 30 30 LYS CA C 13 60.027 0.012 . 1 . . . . 30 LYS CA . 27106 1 87 . 1 1 30 30 LYS N N 15 119.862 0.030 . 1 . . . . 30 LYS N . 27106 1 88 . 1 1 31 31 GLN H H 1 8.075 0.006 . 1 . . . . 31 GLN H . 27106 1 89 . 1 1 31 31 GLN CA C 13 59.538 0.033 . 1 . . . . 31 GLN CA . 27106 1 90 . 1 1 31 31 GLN CB C 13 29.211 0.000 . 1 . . . . 31 GLN CB . 27106 1 91 . 1 1 31 31 GLN N N 15 119.940 0.038 . 1 . . . . 31 GLN N . 27106 1 92 . 1 1 32 32 MET H H 1 8.628 0.004 . 1 . . . . 32 MET H . 27106 1 93 . 1 1 32 32 MET CA C 13 61.119 0.024 . 1 . . . . 32 MET CA . 27106 1 94 . 1 1 32 32 MET N N 15 116.603 0.035 . 1 . . . . 32 MET N . 27106 1 95 . 1 1 33 33 ASN H H 1 8.371 0.005 . 1 . . . . 33 ASN H . 27106 1 96 . 1 1 33 33 ASN CA C 13 56.532 0.099 . 1 . . . . 33 ASN CA . 27106 1 97 . 1 1 33 33 ASN CB C 13 38.678 0.000 . 1 . . . . 33 ASN CB . 27106 1 98 . 1 1 33 33 ASN N N 15 115.565 0.043 . 1 . . . . 33 ASN N . 27106 1 99 . 1 1 34 34 ALA H H 1 8.337 0.010 . 1 . . . . 34 ALA H . 27106 1 100 . 1 1 34 34 ALA CA C 13 56.573 0.042 . 1 . . . . 34 ALA CA . 27106 1 101 . 1 1 34 34 ALA N N 15 122.121 0.022 . 1 . . . . 34 ALA N . 27106 1 102 . 1 1 35 35 ILE H H 1 8.390 0.006 . 1 . . . . 35 ILE H . 27106 1 103 . 1 1 35 35 ILE CA C 13 65.630 0.000 . 1 . . . . 35 ILE CA . 27106 1 104 . 1 1 35 35 ILE N N 15 119.690 0.030 . 1 . . . . 35 ILE N . 27106 1 105 . 1 1 36 36 ILE H H 1 8.162 0.004 . 1 . . . . 36 ILE H . 27106 1 106 . 1 1 36 36 ILE CA C 13 60.927 0.012 . 1 . . . . 36 ILE CA . 27106 1 107 . 1 1 36 36 ILE N N 15 118.617 0.037 . 1 . . . . 36 ILE N . 27106 1 108 . 1 1 37 37 ASP H H 1 9.001 0.004 . 1 . . . . 37 ASP H . 27106 1 109 . 1 1 37 37 ASP CA C 13 57.864 0.000 . 1 . . . . 37 ASP CA . 27106 1 110 . 1 1 37 37 ASP CB C 13 39.325 0.000 . 1 . . . . 37 ASP CB . 27106 1 111 . 1 1 37 37 ASP N N 15 123.151 0.066 . 1 . . . . 37 ASP N . 27106 1 112 . 1 1 38 38 THR H H 1 7.570 0.007 . 1 . . . . 38 THR H . 27106 1 113 . 1 1 38 38 THR CA C 13 67.001 0.000 . 1 . . . . 38 THR CA . 27106 1 114 . 1 1 38 38 THR N N 15 116.930 0.026 . 1 . . . . 38 THR N . 27106 1 115 . 1 1 39 39 VAL H H 1 7.464 0.006 . 1 . . . . 39 VAL H . 27106 1 116 . 1 1 39 39 VAL CA C 13 66.052 0.009 . 1 . . . . 39 VAL CA . 27106 1 117 . 1 1 39 39 VAL N N 15 120.560 0.044 . 1 . . . . 39 VAL N . 27106 1 118 . 1 1 40 40 ILE H H 1 8.751 0.007 . 1 . . . . 40 ILE H . 27106 1 119 . 1 1 40 40 ILE CA C 13 64.997 0.000 . 1 . . . . 40 ILE CA . 27106 1 120 . 1 1 40 40 ILE N N 15 119.024 0.034 . 1 . . . . 40 ILE N . 27106 1 121 . 1 1 41 41 ASN H H 1 8.037 0.003 . 1 . . . . 41 ASN H . 27106 1 122 . 1 1 41 41 ASN CA C 13 53.895 0.000 . 1 . . . . 41 ASN CA . 27106 1 123 . 1 1 41 41 ASN N N 15 113.790 0.018 . 1 . . . . 41 ASN N . 27106 1 124 . 1 1 42 42 TYR H H 1 7.070 0.002 . 1 . . . . 42 TYR H . 27106 1 125 . 1 1 42 42 TYR CA C 13 61.298 0.000 . 1 . . . . 42 TYR CA . 27106 1 126 . 1 1 42 42 TYR N N 15 121.466 0.031 . 1 . . . . 42 TYR N . 27106 1 127 . 1 1 43 43 LYS H H 1 7.378 0.006 . 1 . . . . 43 LYS H . 27106 1 128 . 1 1 43 43 LYS CA C 13 53.747 0.000 . 1 . . . . 43 LYS CA . 27106 1 129 . 1 1 43 43 LYS N N 15 126.952 0.069 . 1 . . . . 43 LYS N . 27106 1 130 . 1 1 46 46 CYS H H 1 8.439 0.003 . 1 . . . . 46 CYS H . 27106 1 131 . 1 1 46 46 CYS CA C 13 59.285 0.048 . 1 . . . . 46 CYS CA . 27106 1 132 . 1 1 46 46 CYS CB C 13 27.865 0.000 . 1 . . . . 46 CYS CB . 27106 1 133 . 1 1 46 46 CYS N N 15 119.961 0.019 . 1 . . . . 46 CYS N . 27106 1 134 . 1 1 47 47 ASN H H 1 8.612 0.003 . 1 . . . . 47 ASN H . 27106 1 135 . 1 1 47 47 ASN CA C 13 53.506 0.078 . 1 . . . . 47 ASN CA . 27106 1 136 . 1 1 47 47 ASN CB C 13 38.820 0.000 . 1 . . . . 47 ASN CB . 27106 1 137 . 1 1 47 47 ASN N N 15 121.090 0.014 . 1 . . . . 47 ASN N . 27106 1 138 . 1 1 48 48 VAL H H 1 8.032 0.002 . 1 . . . . 48 VAL H . 27106 1 139 . 1 1 48 48 VAL CA C 13 62.504 0.001 . 1 . . . . 48 VAL CA . 27106 1 140 . 1 1 48 48 VAL CB C 13 32.680 0.000 . 1 . . . . 48 VAL CB . 27106 1 141 . 1 1 48 48 VAL N N 15 119.761 0.027 . 1 . . . . 48 VAL N . 27106 1 142 . 1 1 49 49 GLU H H 1 8.437 0.002 . 1 . . . . 49 GLU H . 27106 1 143 . 1 1 49 49 GLU CA C 13 56.674 0.036 . 1 . . . . 49 GLU CA . 27106 1 144 . 1 1 49 49 GLU CB C 13 30.250 0.000 . 1 . . . . 49 GLU CB . 27106 1 145 . 1 1 49 49 GLU N N 15 123.637 0.018 . 1 . . . . 49 GLU N . 27106 1 146 . 1 1 50 50 LYS H H 1 8.278 0.003 . 1 . . . . 50 LYS H . 27106 1 147 . 1 1 50 50 LYS CA C 13 56.450 0.040 . 1 . . . . 50 LYS CA . 27106 1 148 . 1 1 50 50 LYS CB C 13 32.826 0.000 . 1 . . . . 50 LYS CB . 27106 1 149 . 1 1 50 50 LYS N N 15 122.115 0.019 . 1 . . . . 50 LYS N . 27106 1 150 . 1 1 51 51 VAL H H 1 8.118 0.003 . 1 . . . . 51 VAL H . 27106 1 151 . 1 1 51 51 VAL CA C 13 59.748 0.014 . 1 . . . . 51 VAL CA . 27106 1 152 . 1 1 51 51 VAL CB C 13 32.651 0.000 . 1 . . . . 51 VAL CB . 27106 1 153 . 1 1 51 51 VAL N N 15 122.096 0.021 . 1 . . . . 51 VAL N . 27106 1 154 . 1 1 53 53 SER H H 1 8.433 0.003 . 1 . . . . 53 SER H . 27106 1 155 . 1 1 53 53 SER CA C 13 58.612 0.026 . 1 . . . . 53 SER CA . 27106 1 156 . 1 1 53 53 SER CB C 13 63.943 0.000 . 1 . . . . 53 SER CB . 27106 1 157 . 1 1 53 53 SER N N 15 115.923 0.026 . 1 . . . . 53 SER N . 27106 1 158 . 1 1 54 54 ASN H H 1 8.475 0.008 . 1 . . . . 54 ASN H . 27106 1 159 . 1 1 54 54 ASN CA C 13 53.645 0.013 . 1 . . . . 54 ASN CA . 27106 1 160 . 1 1 54 54 ASN CB C 13 38.569 0.000 . 1 . . . . 54 ASN CB . 27106 1 161 . 1 1 54 54 ASN N N 15 120.138 0.033 . 1 . . . . 54 ASN N . 27106 1 162 . 1 1 55 55 SER H H 1 8.247 0.003 . 1 . . . . 55 SER H . 27106 1 163 . 1 1 55 55 SER CA C 13 58.861 0.034 . 1 . . . . 55 SER CA . 27106 1 164 . 1 1 55 55 SER CB C 13 63.728 0.000 . 1 . . . . 55 SER CB . 27106 1 165 . 1 1 55 55 SER N N 15 115.489 0.028 . 1 . . . . 55 SER N . 27106 1 166 . 1 1 56 56 GLN H H 1 8.362 0.004 . 1 . . . . 56 GLN H . 27106 1 167 . 1 1 56 56 GLN CA C 13 56.247 0.030 . 1 . . . . 56 GLN CA . 27106 1 168 . 1 1 56 56 GLN CB C 13 29.119 0.000 . 1 . . . . 56 GLN CB . 27106 1 169 . 1 1 56 56 GLN N N 15 121.768 0.017 . 1 . . . . 56 GLN N . 27106 1 170 . 1 1 57 57 LEU H H 1 8.078 0.003 . 1 . . . . 57 LEU H . 27106 1 171 . 1 1 57 57 LEU CA C 13 55.584 0.005 . 1 . . . . 57 LEU CA . 27106 1 172 . 1 1 57 57 LEU CB C 13 42.471 0.000 . 1 . . . . 57 LEU CB . 27106 1 173 . 1 1 57 57 LEU N N 15 121.769 0.021 . 1 . . . . 57 LEU N . 27106 1 174 . 1 1 58 58 GLU H H 1 8.303 0.002 . 1 . . . . 58 GLU H . 27106 1 175 . 1 1 58 58 GLU CA C 13 56.672 0.042 . 1 . . . . 58 GLU CA . 27106 1 176 . 1 1 58 58 GLU CB C 13 30.067 0.000 . 1 . . . . 58 GLU CB . 27106 1 177 . 1 1 58 58 GLU N N 15 121.477 0.027 . 1 . . . . 58 GLU N . 27106 1 178 . 1 1 59 59 ILE H H 1 8.087 0.002 . 1 . . . . 59 ILE H . 27106 1 179 . 1 1 59 59 ILE CA C 13 61.414 0.001 . 1 . . . . 59 ILE CA . 27106 1 180 . 1 1 59 59 ILE CB C 13 38.851 0.000 . 1 . . . . 59 ILE CB . 27106 1 181 . 1 1 59 59 ILE N N 15 121.234 0.023 . 1 . . . . 59 ILE N . 27106 1 182 . 1 1 60 60 GLU H H 1 8.465 0.003 . 1 . . . . 60 GLU H . 27106 1 183 . 1 1 60 60 GLU CA C 13 57.021 0.049 . 1 . . . . 60 GLU CA . 27106 1 184 . 1 1 60 60 GLU CB C 13 30.174 0.000 . 1 . . . . 60 GLU CB . 27106 1 185 . 1 1 60 60 GLU N N 15 124.247 0.018 . 1 . . . . 60 GLU N . 27106 1 186 . 1 1 61 61 GLY H H 1 8.403 0.003 . 1 . . . . 61 GLY H . 27106 1 187 . 1 1 61 61 GLY CA C 13 45.654 0.202 . 1 . . . . 61 GLY CA . 27106 1 188 . 1 1 61 61 GLY N N 15 109.859 0.018 . 1 . . . . 61 GLY N . 27106 1 189 . 1 1 62 62 ASN H H 1 8.310 0.004 . 1 . . . . 62 ASN H . 27106 1 190 . 1 1 62 62 ASN CA C 13 53.296 0.073 . 1 . . . . 62 ASN CA . 27106 1 191 . 1 1 62 62 ASN CB C 13 39.101 0.000 . 1 . . . . 62 ASN CB . 27106 1 192 . 1 1 62 62 ASN N N 15 118.786 0.025 . 1 . . . . 62 ASN N . 27106 1 193 . 1 1 63 63 SER H H 1 8.371 0.005 . 1 . . . . 63 SER H . 27106 1 194 . 1 1 63 63 SER CA C 13 58.564 0.074 . 1 . . . . 63 SER CA . 27106 1 195 . 1 1 63 63 SER CB C 13 63.813 0.000 . 1 . . . . 63 SER CB . 27106 1 196 . 1 1 63 63 SER N N 15 116.314 0.038 . 1 . . . . 63 SER N . 27106 1 197 . 1 1 64 64 SER H H 1 8.324 0.005 . 1 . . . . 64 SER H . 27106 1 198 . 1 1 64 64 SER CA C 13 58.492 0.019 . 1 . . . . 64 SER CA . 27106 1 199 . 1 1 64 64 SER CB C 13 64.029 0.000 . 1 . . . . 64 SER CB . 27106 1 200 . 1 1 64 64 SER N N 15 117.447 0.033 . 1 . . . . 64 SER N . 27106 1 201 . 1 1 65 65 GLY H H 1 8.196 0.004 . 1 . . . . 65 GLY H . 27106 1 202 . 1 1 65 65 GLY CA C 13 44.823 0.024 . 1 . . . . 65 GLY CA . 27106 1 203 . 1 1 65 65 GLY N N 15 109.456 0.029 . 1 . . . . 65 GLY N . 27106 1 204 . 1 1 71 71 VAL H H 1 8.141 0.004 . 1 . . . . 71 VAL H . 27106 1 205 . 1 1 71 71 VAL CA C 13 63.431 0.000 . 1 . . . . 71 VAL CA . 27106 1 206 . 1 1 71 71 VAL N N 15 112.377 0.038 . 1 . . . . 71 VAL N . 27106 1 207 . 1 1 73 73 ILE H H 1 7.527 0.004 . 1 . . . . 73 ILE H . 27106 1 208 . 1 1 73 73 ILE CA C 13 64.963 0.000 . 1 . . . . 73 ILE CA . 27106 1 209 . 1 1 73 73 ILE N N 15 122.056 0.029 . 1 . . . . 73 ILE N . 27106 1 210 . 1 1 74 74 GLN H H 1 8.210 0.002 . 1 . . . . 74 GLN H . 27106 1 211 . 1 1 74 74 GLN CA C 13 53.526 0.000 . 1 . . . . 74 GLN CA . 27106 1 212 . 1 1 74 74 GLN N N 15 115.950 0.025 . 1 . . . . 74 GLN N . 27106 1 213 . 1 1 75 75 LEU H H 1 10.087 0.004 . 1 . . . . 75 LEU H . 27106 1 214 . 1 1 75 75 LEU CA C 13 53.955 0.000 . 1 . . . . 75 LEU CA . 27106 1 215 . 1 1 75 75 LEU N N 15 130.983 0.033 . 1 . . . . 75 LEU N . 27106 1 216 . 1 1 77 77 SER H H 1 8.948 0.003 . 1 . . . . 77 SER H . 27106 1 217 . 1 1 77 77 SER CA C 13 57.758 0.051 . 1 . . . . 77 SER CA . 27106 1 218 . 1 1 77 77 SER CB C 13 64.549 0.000 . 1 . . . . 77 SER CB . 27106 1 219 . 1 1 77 77 SER N N 15 118.435 0.032 . 1 . . . . 77 SER N . 27106 1 220 . 1 1 78 78 ARG H H 1 8.639 0.004 . 1 . . . . 78 ARG H . 27106 1 221 . 1 1 78 78 ARG CA C 13 59.159 0.000 . 1 . . . . 78 ARG CA . 27106 1 222 . 1 1 78 78 ARG N N 15 122.888 0.065 . 1 . . . . 78 ARG N . 27106 1 223 . 1 1 79 79 LYS H H 1 7.643 0.004 . 1 . . . . 79 LYS H . 27106 1 224 . 1 1 79 79 LYS CA C 13 57.956 0.015 . 1 . . . . 79 LYS CA . 27106 1 225 . 1 1 79 79 LYS CB C 13 32.854 0.000 . 1 . . . . 79 LYS CB . 27106 1 226 . 1 1 79 79 LYS N N 15 115.434 0.028 . 1 . . . . 79 LYS N . 27106 1 227 . 1 1 80 80 GLU H H 1 7.372 0.003 . 1 . . . . 80 GLU H . 27106 1 228 . 1 1 80 80 GLU CA C 13 57.727 0.015 . 1 . . . . 80 GLU CA . 27106 1 229 . 1 1 80 80 GLU N N 15 117.828 0.029 . 1 . . . . 80 GLU N . 27106 1 230 . 1 1 81 81 LEU H H 1 7.906 0.004 . 1 . . . . 81 LEU H . 27106 1 231 . 1 1 81 81 LEU CA C 13 52.128 0.075 . 1 . . . . 81 LEU CA . 27106 1 232 . 1 1 81 81 LEU CB C 13 43.831 0.000 . 1 . . . . 81 LEU CB . 27106 1 233 . 1 1 81 81 LEU N N 15 120.641 0.030 . 1 . . . . 81 LEU N . 27106 1 234 . 1 1 83 83 GLU H H 1 10.098 0.004 . 1 . . . . 83 GLU H . 27106 1 235 . 1 1 83 83 GLU CA C 13 59.461 0.028 . 1 . . . . 83 GLU CA . 27106 1 236 . 1 1 83 83 GLU N N 15 118.468 0.026 . 1 . . . . 83 GLU N . 27106 1 237 . 1 1 84 84 TYR H H 1 7.683 0.006 . 1 . . . . 84 TYR H . 27106 1 238 . 1 1 84 84 TYR CA C 13 61.874 0.045 . 1 . . . . 84 TYR CA . 27106 1 239 . 1 1 84 84 TYR N N 15 120.626 0.036 . 1 . . . . 84 TYR N . 27106 1 240 . 1 1 85 85 TYR H H 1 6.892 0.007 . 1 . . . . 85 TYR H . 27106 1 241 . 1 1 85 85 TYR CA C 13 60.009 0.000 . 1 . . . . 85 TYR CA . 27106 1 242 . 1 1 85 85 TYR N N 15 114.325 0.023 . 1 . . . . 85 TYR N . 27106 1 243 . 1 1 86 86 GLU H H 1 7.347 0.008 . 1 . . . . 86 GLU H . 27106 1 244 . 1 1 86 86 GLU CA C 13 57.671 0.020 . 1 . . . . 86 GLU CA . 27106 1 245 . 1 1 86 86 GLU N N 15 117.853 0.028 . 1 . . . . 86 GLU N . 27106 1 246 . 1 1 87 87 LEU H H 1 6.911 0.006 . 1 . . . . 87 LEU H . 27106 1 247 . 1 1 87 87 LEU CA C 13 56.242 0.058 . 1 . . . . 87 LEU CA . 27106 1 248 . 1 1 87 87 LEU CB C 13 44.370 0.000 . 1 . . . . 87 LEU CB . 27106 1 249 . 1 1 87 87 LEU N N 15 118.211 0.053 . 1 . . . . 87 LEU N . 27106 1 250 . 1 1 88 88 ILE H H 1 7.994 0.008 . 1 . . . . 88 ILE H . 27106 1 251 . 1 1 88 88 ILE CA C 13 57.403 0.000 . 1 . . . . 88 ILE CA . 27106 1 252 . 1 1 88 88 ILE N N 15 120.325 0.042 . 1 . . . . 88 ILE N . 27106 1 253 . 1 1 89 89 ARG H H 1 8.096 0.004 . 1 . . . . 89 ARG H . 27106 1 254 . 1 1 89 89 ARG CA C 13 57.388 0.051 . 1 . . . . 89 ARG CA . 27106 1 255 . 1 1 89 89 ARG N N 15 125.045 0.033 . 1 . . . . 89 ARG N . 27106 1 256 . 1 1 90 90 LYS H H 1 8.255 0.006 . 1 . . . . 90 LYS H . 27106 1 257 . 1 1 90 90 LYS CA C 13 53.171 0.065 . 1 . . . . 90 LYS CA . 27106 1 258 . 1 1 90 90 LYS CB C 13 33.180 0.000 . 1 . . . . 90 LYS CB . 27106 1 259 . 1 1 90 90 LYS N N 15 118.846 0.057 . 1 . . . . 90 LYS N . 27106 1 260 . 1 1 92 92 VAL H H 1 8.834 0.007 . 1 . . . . 92 VAL H . 27106 1 261 . 1 1 92 92 VAL CA C 13 62.693 0.000 . 1 . . . . 92 VAL CA . 27106 1 262 . 1 1 92 92 VAL N N 15 121.601 0.018 . 1 . . . . 92 VAL N . 27106 1 263 . 1 1 93 93 ASP H H 1 6.888 0.006 . 1 . . . . 93 ASP H . 27106 1 264 . 1 1 93 93 ASP CA C 13 52.419 0.025 . 1 . . . . 93 ASP CA . 27106 1 265 . 1 1 93 93 ASP CB C 13 42.643 0.000 . 1 . . . . 93 ASP CB . 27106 1 266 . 1 1 93 93 ASP N N 15 123.025 0.032 . 1 . . . . 93 ASP N . 27106 1 267 . 1 1 95 95 LYS H H 1 8.745 0.003 . 1 . . . . 95 LYS H . 27106 1 268 . 1 1 95 95 LYS CA C 13 60.939 0.036 . 1 . . . . 95 LYS CA . 27106 1 269 . 1 1 95 95 LYS N N 15 122.369 0.030 . 1 . . . . 95 LYS N . 27106 1 270 . 1 1 96 96 LYS H H 1 8.921 0.007 . 1 . . . . 96 LYS H . 27106 1 271 . 1 1 96 96 LYS CA C 13 58.148 0.000 . 1 . . . . 96 LYS CA . 27106 1 272 . 1 1 96 96 LYS N N 15 122.148 0.049 . 1 . . . . 96 LYS N . 27106 1 273 . 1 1 97 97 ILE H H 1 7.945 0.006 . 1 . . . . 97 ILE H . 27106 1 274 . 1 1 97 97 ILE CA C 13 64.893 0.000 . 1 . . . . 97 ILE CA . 27106 1 275 . 1 1 97 97 ILE N N 15 120.197 0.022 . 1 . . . . 97 ILE N . 27106 1 276 . 1 1 98 98 LYS H H 1 8.633 0.005 . 1 . . . . 98 LYS H . 27106 1 277 . 1 1 98 98 LYS CA C 13 60.464 0.061 . 1 . . . . 98 LYS CA . 27106 1 278 . 1 1 98 98 LYS N N 15 118.353 0.023 . 1 . . . . 98 LYS N . 27106 1 279 . 1 1 99 99 GLU H H 1 8.005 0.006 . 1 . . . . 99 GLU H . 27106 1 280 . 1 1 99 99 GLU CA C 13 59.643 0.058 . 1 . . . . 99 GLU CA . 27106 1 281 . 1 1 99 99 GLU CB C 13 32.523 0.000 . 1 . . . . 99 GLU CB . 27106 1 282 . 1 1 99 99 GLU N N 15 122.490 0.058 . 1 . . . . 99 GLU N . 27106 1 283 . 1 1 100 100 ARG H H 1 8.483 0.004 . 1 . . . . 100 ARG H . 27106 1 284 . 1 1 100 100 ARG CA C 13 59.980 0.032 . 1 . . . . 100 ARG CA . 27106 1 285 . 1 1 100 100 ARG N N 15 121.114 0.020 . 1 . . . . 100 ARG N . 27106 1 286 . 1 1 101 101 ILE H H 1 8.145 0.006 . 1 . . . . 101 ILE H . 27106 1 287 . 1 1 101 101 ILE CA C 13 66.186 0.039 . 1 . . . . 101 ILE CA . 27106 1 288 . 1 1 101 101 ILE N N 15 119.398 0.018 . 1 . . . . 101 ILE N . 27106 1 289 . 1 1 102 102 ARG H H 1 7.899 0.006 . 1 . . . . 102 ARG H . 27106 1 290 . 1 1 102 102 ARG CA C 13 59.078 0.034 . 1 . . . . 102 ARG CA . 27106 1 291 . 1 1 102 102 ARG CB C 13 30.396 0.000 . 1 . . . . 102 ARG CB . 27106 1 292 . 1 1 102 102 ARG N N 15 121.458 0.023 . 1 . . . . 102 ARG N . 27106 1 293 . 1 1 103 103 ASN H H 1 7.991 0.004 . 1 . . . . 103 ASN H . 27106 1 294 . 1 1 103 103 ASN CA C 13 52.451 0.068 . 1 . . . . 103 ASN CA . 27106 1 295 . 1 1 103 103 ASN CB C 13 38.171 0.000 . 1 . . . . 103 ASN CB . 27106 1 296 . 1 1 103 103 ASN N N 15 113.104 0.039 . 1 . . . . 103 ASN N . 27106 1 297 . 1 1 104 104 HIS H H 1 7.372 0.004 . 1 . . . . 104 HIS H . 27106 1 298 . 1 1 104 104 HIS CA C 13 56.777 0.088 . 1 . . . . 104 HIS CA . 27106 1 299 . 1 1 104 104 HIS N N 15 113.034 0.042 . 1 . . . . 104 HIS N . 27106 1 300 . 1 1 105 105 LYS H H 1 8.382 0.003 . 1 . . . . 105 LYS H . 27106 1 301 . 1 1 105 105 LYS CA C 13 57.791 0.027 . 1 . . . . 105 LYS CA . 27106 1 302 . 1 1 105 105 LYS N N 15 117.102 0.040 . 1 . . . . 105 LYS N . 27106 1 303 . 1 1 106 106 TYR H H 1 6.378 0.008 . 1 . . . . 106 TYR H . 27106 1 304 . 1 1 106 106 TYR CA C 13 54.911 0.054 . 1 . . . . 106 TYR CA . 27106 1 305 . 1 1 106 106 TYR CB C 13 39.251 0.000 . 1 . . . . 106 TYR CB . 27106 1 306 . 1 1 106 106 TYR N N 15 115.158 0.022 . 1 . . . . 106 TYR N . 27106 1 307 . 1 1 107 107 ARG H H 1 9.894 0.006 . 1 . . . . 107 ARG H . 27106 1 308 . 1 1 107 107 ARG CA C 13 53.008 0.042 . 1 . . . . 107 ARG CA . 27106 1 309 . 1 1 107 107 ARG N N 15 120.929 0.053 . 1 . . . . 107 ARG N . 27106 1 310 . 1 1 108 108 SER H H 1 7.817 0.005 . 1 . . . . 108 SER H . 27106 1 311 . 1 1 108 108 SER CA C 13 56.436 0.002 . 1 . . . . 108 SER CA . 27106 1 312 . 1 1 108 108 SER N N 15 110.638 0.024 . 1 . . . . 108 SER N . 27106 1 313 . 1 1 111 111 ASP H H 1 7.693 0.009 . 1 . . . . 111 ASP H . 27106 1 314 . 1 1 111 111 ASP CB C 13 41.000 0.000 . 1 . . . . 111 ASP CB . 27106 1 315 . 1 1 111 111 ASP N N 15 123.052 0.049 . 1 . . . . 111 ASP N . 27106 1 316 . 1 1 112 112 LEU H H 1 6.702 0.004 . 1 . . . . 112 LEU H . 27106 1 317 . 1 1 112 112 LEU CA C 13 57.284 0.052 . 1 . . . . 112 LEU CA . 27106 1 318 . 1 1 112 112 LEU N N 15 120.803 0.030 . 1 . . . . 112 LEU N . 27106 1 319 . 1 1 113 113 GLU H H 1 8.451 0.006 . 1 . . . . 113 GLU H . 27106 1 320 . 1 1 113 113 GLU CA C 13 59.651 0.094 . 1 . . . . 113 GLU CA . 27106 1 321 . 1 1 113 113 GLU N N 15 118.367 0.047 . 1 . . . . 113 GLU N . 27106 1 322 . 1 1 114 114 LYS H H 1 7.715 0.005 . 1 . . . . 114 LYS H . 27106 1 323 . 1 1 114 114 LYS CA C 13 60.201 0.034 . 1 . . . . 114 LYS CA . 27106 1 324 . 1 1 114 114 LYS N N 15 116.868 0.041 . 1 . . . . 114 LYS N . 27106 1 325 . 1 1 115 115 ASP H H 1 6.861 0.005 . 1 . . . . 115 ASP H . 27106 1 326 . 1 1 115 115 ASP CA C 13 56.282 0.029 . 1 . . . . 115 ASP CA . 27106 1 327 . 1 1 115 115 ASP CB C 13 40.380 0.000 . 1 . . . . 115 ASP CB . 27106 1 328 . 1 1 115 115 ASP N N 15 119.639 0.028 . 1 . . . . 115 ASP N . 27106 1 329 . 1 1 116 116 VAL H H 1 7.630 0.005 . 1 . . . . 116 VAL H . 27106 1 330 . 1 1 116 116 VAL CA C 13 66.559 0.000 . 1 . . . . 116 VAL CA . 27106 1 331 . 1 1 116 116 VAL N N 15 120.652 0.034 . 1 . . . . 116 VAL N . 27106 1 332 . 1 1 117 117 MET H H 1 8.715 0.007 . 1 . . . . 117 MET H . 27106 1 333 . 1 1 117 117 MET CA C 13 57.084 0.054 . 1 . . . . 117 MET CA . 27106 1 334 . 1 1 117 117 MET N N 15 117.363 0.031 . 1 . . . . 117 MET N . 27106 1 335 . 1 1 118 118 LEU H H 1 7.710 0.009 . 1 . . . . 118 LEU H . 27106 1 336 . 1 1 118 118 LEU CA C 13 58.252 0.068 . 1 . . . . 118 LEU CA . 27106 1 337 . 1 1 118 118 LEU CB C 13 41.209 0.000 . 1 . . . . 118 LEU CB . 27106 1 338 . 1 1 118 118 LEU N N 15 123.270 0.057 . 1 . . . . 118 LEU N . 27106 1 339 . 1 1 119 119 LEU H H 1 7.831 0.004 . 1 . . . . 119 LEU H . 27106 1 340 . 1 1 119 119 LEU CA C 13 60.427 0.042 . 1 . . . . 119 LEU CA . 27106 1 341 . 1 1 119 119 LEU N N 15 121.554 0.025 . 1 . . . . 119 LEU N . 27106 1 342 . 1 1 120 120 CYS H H 1 7.839 0.010 . 1 . . . . 120 CYS H . 27106 1 343 . 1 1 120 120 CYS CA C 13 64.497 0.032 . 1 . . . . 120 CYS CA . 27106 1 344 . 1 1 120 120 CYS N N 15 119.219 0.018 . 1 . . . . 120 CYS N . 27106 1 345 . 1 1 121 121 HIS H H 1 9.039 0.004 . 1 . . . . 121 HIS H . 27106 1 346 . 1 1 121 121 HIS CA C 13 59.463 0.000 . 1 . . . . 121 HIS CA . 27106 1 347 . 1 1 121 121 HIS N N 15 121.558 0.057 . 1 . . . . 121 HIS N . 27106 1 348 . 1 1 122 122 ASN H H 1 9.414 0.004 . 1 . . . . 122 ASN H . 27106 1 349 . 1 1 122 122 ASN CA C 13 55.457 0.079 . 1 . . . . 122 ASN CA . 27106 1 350 . 1 1 122 122 ASN CB C 13 37.398 0.000 . 1 . . . . 122 ASN CB . 27106 1 351 . 1 1 122 122 ASN N N 15 121.229 0.036 . 1 . . . . 122 ASN N . 27106 1 352 . 1 1 123 123 ALA H H 1 7.476 0.004 . 1 . . . . 123 ALA H . 27106 1 353 . 1 1 123 123 ALA CA C 13 55.444 0.090 . 1 . . . . 123 ALA CA . 27106 1 354 . 1 1 123 123 ALA N N 15 123.012 0.022 . 1 . . . . 123 ALA N . 27106 1 355 . 1 1 124 124 GLN H H 1 7.725 0.006 . 1 . . . . 124 GLN H . 27106 1 356 . 1 1 124 124 GLN CA C 13 57.019 0.000 . 1 . . . . 124 GLN CA . 27106 1 357 . 1 1 124 124 GLN N N 15 117.120 0.041 . 1 . . . . 124 GLN N . 27106 1 358 . 1 1 125 125 THR H H 1 7.822 0.007 . 1 . . . . 125 THR H . 27106 1 359 . 1 1 125 125 THR CA C 13 64.803 0.044 . 1 . . . . 125 THR CA . 27106 1 360 . 1 1 125 125 THR N N 15 115.465 0.024 . 1 . . . . 125 THR N . 27106 1 361 . 1 1 126 126 PHE H H 1 8.074 0.004 . 1 . . . . 126 PHE H . 27106 1 362 . 1 1 126 126 PHE CA C 13 60.684 0.000 . 1 . . . . 126 PHE CA . 27106 1 363 . 1 1 126 126 PHE N N 15 118.647 0.038 . 1 . . . . 126 PHE N . 27106 1 364 . 1 1 127 127 ASN H H 1 7.482 0.006 . 1 . . . . 127 ASN H . 27106 1 365 . 1 1 127 127 ASN CA C 13 52.390 0.071 . 1 . . . . 127 ASN CA . 27106 1 366 . 1 1 127 127 ASN CB C 13 41.157 0.000 . 1 . . . . 127 ASN CB . 27106 1 367 . 1 1 127 127 ASN N N 15 113.357 0.027 . 1 . . . . 127 ASN N . 27106 1 368 . 1 1 128 128 LEU H H 1 8.435 0.004 . 1 . . . . 128 LEU H . 27106 1 369 . 1 1 128 128 LEU CA C 13 54.750 0.048 . 1 . . . . 128 LEU CA . 27106 1 370 . 1 1 128 128 LEU N N 15 118.220 0.033 . 1 . . . . 128 LEU N . 27106 1 371 . 1 1 129 129 GLU H H 1 8.645 0.005 . 1 . . . . 129 GLU H . 27106 1 372 . 1 1 129 129 GLU CA C 13 57.714 0.011 . 1 . . . . 129 GLU CA . 27106 1 373 . 1 1 129 129 GLU CB C 13 28.906 0.000 . 1 . . . . 129 GLU CB . 27106 1 374 . 1 1 129 129 GLU N N 15 125.304 0.035 . 1 . . . . 129 GLU N . 27106 1 375 . 1 1 130 130 GLY H H 1 7.429 0.003 . 1 . . . . 130 GLY H . 27106 1 376 . 1 1 130 130 GLY CA C 13 57.691 0.000 . 1 . . . . 130 GLY CA . 27106 1 377 . 1 1 130 130 GLY N N 15 113.541 0.032 . 1 . . . . 130 GLY N . 27106 1 378 . 1 1 131 131 SER H H 1 8.062 0.003 . 1 . . . . 131 SER H . 27106 1 379 . 1 1 131 131 SER CA C 13 58.427 0.014 . 1 . . . . 131 SER CA . 27106 1 380 . 1 1 131 131 SER N N 15 116.421 0.032 . 1 . . . . 131 SER N . 27106 1 381 . 1 1 132 132 GLN H H 1 8.972 0.006 . 1 . . . . 132 GLN H . 27106 1 382 . 1 1 132 132 GLN CA C 13 59.435 0.018 . 1 . . . . 132 GLN CA . 27106 1 383 . 1 1 132 132 GLN N N 15 123.895 0.050 . 1 . . . . 132 GLN N . 27106 1 384 . 1 1 133 133 ILE H H 1 8.464 0.004 . 1 . . . . 133 ILE H . 27106 1 385 . 1 1 133 133 ILE CA C 13 65.622 0.000 . 1 . . . . 133 ILE CA . 27106 1 386 . 1 1 133 133 ILE N N 15 116.601 0.034 . 1 . . . . 133 ILE N . 27106 1 387 . 1 1 134 134 TYR H H 1 7.166 0.004 . 1 . . . . 134 TYR H . 27106 1 388 . 1 1 134 134 TYR CA C 13 62.073 0.000 . 1 . . . . 134 TYR CA . 27106 1 389 . 1 1 134 134 TYR N N 15 120.168 0.026 . 1 . . . . 134 TYR N . 27106 1 390 . 1 1 135 135 GLU H H 1 8.810 0.002 . 1 . . . . 135 GLU H . 27106 1 391 . 1 1 135 135 GLU CA C 13 59.579 0.015 . 1 . . . . 135 GLU CA . 27106 1 392 . 1 1 135 135 GLU N N 15 120.002 0.030 . 1 . . . . 135 GLU N . 27106 1 393 . 1 1 136 136 ASP H H 1 9.432 0.008 . 1 . . . . 136 ASP H . 27106 1 394 . 1 1 136 136 ASP CA C 13 57.634 0.007 . 1 . . . . 136 ASP CA . 27106 1 395 . 1 1 136 136 ASP N N 15 122.106 0.050 . 1 . . . . 136 ASP N . 27106 1 396 . 1 1 137 137 SER H H 1 8.273 0.002 . 1 . . . . 137 SER H . 27106 1 397 . 1 1 137 137 SER N N 15 116.319 0.027 . 1 . . . . 137 SER N . 27106 1 398 . 1 1 138 138 ILE H H 1 7.198 0.005 . 1 . . . . 138 ILE H . 27106 1 399 . 1 1 138 138 ILE CA C 13 63.819 0.000 . 1 . . . . 138 ILE CA . 27106 1 400 . 1 1 138 138 ILE N N 15 125.115 0.027 . 1 . . . . 138 ILE N . 27106 1 401 . 1 1 139 139 VAL H H 1 7.582 0.004 . 1 . . . . 139 VAL H . 27106 1 402 . 1 1 139 139 VAL CA C 13 66.524 0.000 . 1 . . . . 139 VAL CA . 27106 1 403 . 1 1 139 139 VAL N N 15 122.027 0.021 . 1 . . . . 139 VAL N . 27106 1 404 . 1 1 140 140 LEU H H 1 8.471 0.005 . 1 . . . . 140 LEU H . 27106 1 405 . 1 1 140 140 LEU CA C 13 58.366 0.015 . 1 . . . . 140 LEU CA . 27106 1 406 . 1 1 140 140 LEU N N 15 118.190 0.018 . 1 . . . . 140 LEU N . 27106 1 407 . 1 1 141 141 GLN H H 1 7.652 0.007 . 1 . . . . 141 GLN H . 27106 1 408 . 1 1 141 141 GLN CA C 13 60.258 0.014 . 1 . . . . 141 GLN CA . 27106 1 409 . 1 1 141 141 GLN N N 15 117.927 0.045 . 1 . . . . 141 GLN N . 27106 1 410 . 1 1 142 142 SER H H 1 7.362 0.007 . 1 . . . . 142 SER H . 27106 1 411 . 1 1 142 142 SER CA C 13 61.506 0.089 . 1 . . . . 142 SER CA . 27106 1 412 . 1 1 142 142 SER N N 15 115.085 0.034 . 1 . . . . 142 SER N . 27106 1 413 . 1 1 143 143 VAL H H 1 8.603 0.005 . 1 . . . . 143 VAL H . 27106 1 414 . 1 1 143 143 VAL CA C 13 66.062 0.000 . 1 . . . . 143 VAL CA . 27106 1 415 . 1 1 143 143 VAL N N 15 125.210 0.057 . 1 . . . . 143 VAL N . 27106 1 416 . 1 1 144 144 PHE H H 1 8.543 0.004 . 1 . . . . 144 PHE H . 27106 1 417 . 1 1 144 144 PHE CA C 13 62.739 0.000 . 1 . . . . 144 PHE CA . 27106 1 418 . 1 1 144 144 PHE N N 15 119.441 0.034 . 1 . . . . 144 PHE N . 27106 1 419 . 1 1 145 145 LYS H H 1 7.862 0.005 . 1 . . . . 145 LYS H . 27106 1 420 . 1 1 145 145 LYS CA C 13 60.309 0.019 . 1 . . . . 145 LYS CA . 27106 1 421 . 1 1 145 145 LYS N N 15 118.577 0.032 . 1 . . . . 145 LYS N . 27106 1 422 . 1 1 146 146 SER H H 1 8.217 0.004 . 1 . . . . 146 SER H . 27106 1 423 . 1 1 146 146 SER CA C 13 61.324 0.102 . 1 . . . . 146 SER CA . 27106 1 424 . 1 1 146 146 SER CB C 13 62.699 0.000 . 1 . . . . 146 SER CB . 27106 1 425 . 1 1 146 146 SER N N 15 114.805 0.046 . 1 . . . . 146 SER N . 27106 1 426 . 1 1 147 147 ALA H H 1 8.402 0.004 . 1 . . . . 147 ALA H . 27106 1 427 . 1 1 147 147 ALA CA C 13 54.912 0.055 . 1 . . . . 147 ALA CA . 27106 1 428 . 1 1 147 147 ALA CB C 13 18.478 0.000 . 1 . . . . 147 ALA CB . 27106 1 429 . 1 1 147 147 ALA N N 15 124.799 0.043 . 1 . . . . 147 ALA N . 27106 1 430 . 1 1 148 148 ARG H H 1 8.440 0.005 . 1 . . . . 148 ARG H . 27106 1 431 . 1 1 148 148 ARG CA C 13 59.484 0.066 . 1 . . . . 148 ARG CA . 27106 1 432 . 1 1 148 148 ARG N N 15 117.712 0.039 . 1 . . . . 148 ARG N . 27106 1 433 . 1 1 149 149 GLN H H 1 7.602 0.003 . 1 . . . . 149 GLN H . 27106 1 434 . 1 1 149 149 GLN CA C 13 58.205 0.020 . 1 . . . . 149 GLN CA . 27106 1 435 . 1 1 149 149 GLN CB C 13 28.611 0.000 . 1 . . . . 149 GLN CB . 27106 1 436 . 1 1 149 149 GLN N N 15 116.589 0.030 . 1 . . . . 149 GLN N . 27106 1 437 . 1 1 150 150 LYS H H 1 7.547 0.004 . 1 . . . . 150 LYS H . 27106 1 438 . 1 1 150 150 LYS CA C 13 58.196 0.023 . 1 . . . . 150 LYS CA . 27106 1 439 . 1 1 150 150 LYS CB C 13 33.321 0.000 . 1 . . . . 150 LYS CB . 27106 1 440 . 1 1 150 150 LYS N N 15 117.090 0.023 . 1 . . . . 150 LYS N . 27106 1 441 . 1 1 151 151 ILE H H 1 7.823 0.005 . 1 . . . . 151 ILE H . 27106 1 442 . 1 1 151 151 ILE CA C 13 61.987 0.052 . 1 . . . . 151 ILE CA . 27106 1 443 . 1 1 151 151 ILE CB C 13 38.285 0.000 . 1 . . . . 151 ILE CB . 27106 1 444 . 1 1 151 151 ILE N N 15 118.038 0.051 . 1 . . . . 151 ILE N . 27106 1 445 . 1 1 152 152 ALA H H 1 8.028 0.003 . 1 . . . . 152 ALA H . 27106 1 446 . 1 1 152 152 ALA CA C 13 52.255 0.090 . 1 . . . . 152 ALA CA . 27106 1 447 . 1 1 152 152 ALA CB C 13 19.536 0.000 . 1 . . . . 152 ALA CB . 27106 1 448 . 1 1 152 152 ALA N N 15 124.751 0.029 . 1 . . . . 152 ALA N . 27106 1 449 . 1 1 153 153 LYS H H 1 7.495 0.003 . 1 . . . . 153 LYS H . 27106 1 450 . 1 1 153 153 LYS CA C 13 58.016 0.027 . 1 . . . . 153 LYS CA . 27106 1 451 . 1 1 153 153 LYS CB C 13 33.499 0.000 . 1 . . . . 153 LYS CB . 27106 1 452 . 1 1 153 153 LYS N N 15 125.646 0.021 . 1 . . . . 153 LYS N . 27106 1 stop_ save_