data_27811 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27811 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Elongation factor P from E.coli ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-02-28 _Entry.Accession_date 2019-02-28 _Entry.Last_release_date 2019-03-01 _Entry.Original_release_date 2019-03-01 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 'Pravin Kumar Ankush' Jagtap . . . . 27811 2 Jakub Macosek . . . . 27811 3 Janosch Hennig . . . . 27811 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27811 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 299 27811 '15N chemical shifts' 168 27811 '1H chemical shifts' 168 27811 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 . . 2019-06-26 . original BMRB . 27811 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27811 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.3389/fmicb.2019.01148 _Citation.PubMed_ID 31178848 _Citation.Full_citation . _Citation.Title ; Switching the Post-translational Modification of Translation Elongation Factor EF-P. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Front. Microbiol.' _Citation.Journal_name_full 'Frontiers in microbiology' _Citation.Journal_volume 10 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1664-302X _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 1148 _Citation.Page_last 1148 _Citation.Year 2019 _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 Wolfram Volkwein . . . . 27811 1 2 Ralph Krafczyk . . . . 27811 1 3 'Pravin Kumar Ankush' Jagtap . . . . 27811 1 4 Marina Parr . . . . 27811 1 5 Elena Mankina . . . . 27811 1 6 Jakub Macosek . . . . 27811 1 7 Zhenghuan Guo . . . . 27811 1 8 'Maximilian Josef' Furst . . . . 27811 1 9 Miriam Pfab . . . . 27811 1 10 Dmitrij Frishman . . . . 27811 1 11 Janosch Hennig . . . . 27811 1 12 Kirsten Jung . . . . 27811 1 13 Jurgen Lassak . . . . 27811 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27811 _Assembly.ID 1 _Assembly.Name 'EFP monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _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 EFP 1 $EFP A . yes native no no . . . 27811 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_EFP _Entity.Sf_category entity _Entity.Sf_framecode EFP _Entity.Entry_ID 27811 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name EFP _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 ; MATYYSNDFRAGLKIMLDGE PYAVEASEFVKPGKGQAFAR VKLRRLLTGTRVEKTFKSTD SAEGADVVDMNLTYLYNDGE FWHFMNNETFEQLSADAKAI GDNAKWLLDQAECIVTLWNG QPISVTPPNFVELEIVDTDP GLKGDTAGTGGKPATLSTGA VVKVPLFVQIGEVIKVDTRS GEYVSRVK ; _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 188 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 27811 1 2 . ALA . 27811 1 3 . THR . 27811 1 4 . TYR . 27811 1 5 . TYR . 27811 1 6 . SER . 27811 1 7 . ASN . 27811 1 8 . ASP . 27811 1 9 . PHE . 27811 1 10 . ARG . 27811 1 11 . ALA . 27811 1 12 . GLY . 27811 1 13 . LEU . 27811 1 14 . LYS . 27811 1 15 . ILE . 27811 1 16 . MET . 27811 1 17 . LEU . 27811 1 18 . ASP . 27811 1 19 . GLY . 27811 1 20 . GLU . 27811 1 21 . PRO . 27811 1 22 . TYR . 27811 1 23 . ALA . 27811 1 24 . VAL . 27811 1 25 . GLU . 27811 1 26 . ALA . 27811 1 27 . SER . 27811 1 28 . GLU . 27811 1 29 . PHE . 27811 1 30 . VAL . 27811 1 31 . LYS . 27811 1 32 . PRO . 27811 1 33 . GLY . 27811 1 34 . LYS . 27811 1 35 . GLY . 27811 1 36 . GLN . 27811 1 37 . ALA . 27811 1 38 . PHE . 27811 1 39 . ALA . 27811 1 40 . ARG . 27811 1 41 . VAL . 27811 1 42 . LYS . 27811 1 43 . LEU . 27811 1 44 . ARG . 27811 1 45 . ARG . 27811 1 46 . LEU . 27811 1 47 . LEU . 27811 1 48 . THR . 27811 1 49 . GLY . 27811 1 50 . THR . 27811 1 51 . ARG . 27811 1 52 . VAL . 27811 1 53 . GLU . 27811 1 54 . LYS . 27811 1 55 . THR . 27811 1 56 . PHE . 27811 1 57 . LYS . 27811 1 58 . SER . 27811 1 59 . THR . 27811 1 60 . ASP . 27811 1 61 . SER . 27811 1 62 . ALA . 27811 1 63 . GLU . 27811 1 64 . GLY . 27811 1 65 . ALA . 27811 1 66 . ASP . 27811 1 67 . VAL . 27811 1 68 . VAL . 27811 1 69 . ASP . 27811 1 70 . MET . 27811 1 71 . ASN . 27811 1 72 . LEU . 27811 1 73 . THR . 27811 1 74 . TYR . 27811 1 75 . LEU . 27811 1 76 . TYR . 27811 1 77 . ASN . 27811 1 78 . ASP . 27811 1 79 . GLY . 27811 1 80 . GLU . 27811 1 81 . PHE . 27811 1 82 . TRP . 27811 1 83 . HIS . 27811 1 84 . PHE . 27811 1 85 . MET . 27811 1 86 . ASN . 27811 1 87 . ASN . 27811 1 88 . GLU . 27811 1 89 . THR . 27811 1 90 . PHE . 27811 1 91 . GLU . 27811 1 92 . GLN . 27811 1 93 . LEU . 27811 1 94 . SER . 27811 1 95 . ALA . 27811 1 96 . ASP . 27811 1 97 . ALA . 27811 1 98 . LYS . 27811 1 99 . ALA . 27811 1 100 . ILE . 27811 1 101 . GLY . 27811 1 102 . ASP . 27811 1 103 . ASN . 27811 1 104 . ALA . 27811 1 105 . LYS . 27811 1 106 . TRP . 27811 1 107 . LEU . 27811 1 108 . LEU . 27811 1 109 . ASP . 27811 1 110 . GLN . 27811 1 111 . ALA . 27811 1 112 . GLU . 27811 1 113 . CYS . 27811 1 114 . ILE . 27811 1 115 . VAL . 27811 1 116 . THR . 27811 1 117 . LEU . 27811 1 118 . TRP . 27811 1 119 . ASN . 27811 1 120 . GLY . 27811 1 121 . GLN . 27811 1 122 . PRO . 27811 1 123 . ILE . 27811 1 124 . SER . 27811 1 125 . VAL . 27811 1 126 . THR . 27811 1 127 . PRO . 27811 1 128 . PRO . 27811 1 129 . ASN . 27811 1 130 . PHE . 27811 1 131 . VAL . 27811 1 132 . GLU . 27811 1 133 . LEU . 27811 1 134 . GLU . 27811 1 135 . ILE . 27811 1 136 . VAL . 27811 1 137 . ASP . 27811 1 138 . THR . 27811 1 139 . ASP . 27811 1 140 . PRO . 27811 1 141 . GLY . 27811 1 142 . LEU . 27811 1 143 . LYS . 27811 1 144 . GLY . 27811 1 145 . ASP . 27811 1 146 . THR . 27811 1 147 . ALA . 27811 1 148 . GLY . 27811 1 149 . THR . 27811 1 150 . GLY . 27811 1 151 . GLY . 27811 1 152 . LYS . 27811 1 153 . PRO . 27811 1 154 . ALA . 27811 1 155 . THR . 27811 1 156 . LEU . 27811 1 157 . SER . 27811 1 158 . THR . 27811 1 159 . GLY . 27811 1 160 . ALA . 27811 1 161 . VAL . 27811 1 162 . VAL . 27811 1 163 . LYS . 27811 1 164 . VAL . 27811 1 165 . PRO . 27811 1 166 . LEU . 27811 1 167 . PHE . 27811 1 168 . VAL . 27811 1 169 . GLN . 27811 1 170 . ILE . 27811 1 171 . GLY . 27811 1 172 . GLU . 27811 1 173 . VAL . 27811 1 174 . ILE . 27811 1 175 . LYS . 27811 1 176 . VAL . 27811 1 177 . ASP . 27811 1 178 . THR . 27811 1 179 . ARG . 27811 1 180 . SER . 27811 1 181 . GLY . 27811 1 182 . GLU . 27811 1 183 . TYR . 27811 1 184 . VAL . 27811 1 185 . SER . 27811 1 186 . ARG . 27811 1 187 . VAL . 27811 1 188 . LYS . 27811 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27811 1 . ALA 2 2 27811 1 . THR 3 3 27811 1 . TYR 4 4 27811 1 . TYR 5 5 27811 1 . SER 6 6 27811 1 . ASN 7 7 27811 1 . ASP 8 8 27811 1 . PHE 9 9 27811 1 . ARG 10 10 27811 1 . ALA 11 11 27811 1 . GLY 12 12 27811 1 . LEU 13 13 27811 1 . LYS 14 14 27811 1 . ILE 15 15 27811 1 . MET 16 16 27811 1 . LEU 17 17 27811 1 . ASP 18 18 27811 1 . GLY 19 19 27811 1 . GLU 20 20 27811 1 . PRO 21 21 27811 1 . TYR 22 22 27811 1 . ALA 23 23 27811 1 . VAL 24 24 27811 1 . GLU 25 25 27811 1 . ALA 26 26 27811 1 . SER 27 27 27811 1 . GLU 28 28 27811 1 . PHE 29 29 27811 1 . VAL 30 30 27811 1 . LYS 31 31 27811 1 . PRO 32 32 27811 1 . GLY 33 33 27811 1 . LYS 34 34 27811 1 . GLY 35 35 27811 1 . GLN 36 36 27811 1 . ALA 37 37 27811 1 . PHE 38 38 27811 1 . ALA 39 39 27811 1 . ARG 40 40 27811 1 . VAL 41 41 27811 1 . LYS 42 42 27811 1 . LEU 43 43 27811 1 . ARG 44 44 27811 1 . ARG 45 45 27811 1 . LEU 46 46 27811 1 . LEU 47 47 27811 1 . THR 48 48 27811 1 . GLY 49 49 27811 1 . THR 50 50 27811 1 . ARG 51 51 27811 1 . VAL 52 52 27811 1 . GLU 53 53 27811 1 . LYS 54 54 27811 1 . THR 55 55 27811 1 . PHE 56 56 27811 1 . LYS 57 57 27811 1 . SER 58 58 27811 1 . THR 59 59 27811 1 . ASP 60 60 27811 1 . SER 61 61 27811 1 . ALA 62 62 27811 1 . GLU 63 63 27811 1 . GLY 64 64 27811 1 . ALA 65 65 27811 1 . ASP 66 66 27811 1 . VAL 67 67 27811 1 . VAL 68 68 27811 1 . ASP 69 69 27811 1 . MET 70 70 27811 1 . ASN 71 71 27811 1 . LEU 72 72 27811 1 . THR 73 73 27811 1 . TYR 74 74 27811 1 . LEU 75 75 27811 1 . TYR 76 76 27811 1 . ASN 77 77 27811 1 . ASP 78 78 27811 1 . GLY 79 79 27811 1 . GLU 80 80 27811 1 . PHE 81 81 27811 1 . TRP 82 82 27811 1 . HIS 83 83 27811 1 . PHE 84 84 27811 1 . MET 85 85 27811 1 . ASN 86 86 27811 1 . ASN 87 87 27811 1 . GLU 88 88 27811 1 . THR 89 89 27811 1 . PHE 90 90 27811 1 . GLU 91 91 27811 1 . GLN 92 92 27811 1 . LEU 93 93 27811 1 . SER 94 94 27811 1 . ALA 95 95 27811 1 . ASP 96 96 27811 1 . ALA 97 97 27811 1 . LYS 98 98 27811 1 . ALA 99 99 27811 1 . ILE 100 100 27811 1 . GLY 101 101 27811 1 . ASP 102 102 27811 1 . ASN 103 103 27811 1 . ALA 104 104 27811 1 . LYS 105 105 27811 1 . TRP 106 106 27811 1 . LEU 107 107 27811 1 . LEU 108 108 27811 1 . ASP 109 109 27811 1 . GLN 110 110 27811 1 . ALA 111 111 27811 1 . GLU 112 112 27811 1 . CYS 113 113 27811 1 . ILE 114 114 27811 1 . VAL 115 115 27811 1 . THR 116 116 27811 1 . LEU 117 117 27811 1 . TRP 118 118 27811 1 . ASN 119 119 27811 1 . GLY 120 120 27811 1 . GLN 121 121 27811 1 . PRO 122 122 27811 1 . ILE 123 123 27811 1 . SER 124 124 27811 1 . VAL 125 125 27811 1 . THR 126 126 27811 1 . PRO 127 127 27811 1 . PRO 128 128 27811 1 . ASN 129 129 27811 1 . PHE 130 130 27811 1 . VAL 131 131 27811 1 . GLU 132 132 27811 1 . LEU 133 133 27811 1 . GLU 134 134 27811 1 . ILE 135 135 27811 1 . VAL 136 136 27811 1 . ASP 137 137 27811 1 . THR 138 138 27811 1 . ASP 139 139 27811 1 . PRO 140 140 27811 1 . GLY 141 141 27811 1 . LEU 142 142 27811 1 . LYS 143 143 27811 1 . GLY 144 144 27811 1 . ASP 145 145 27811 1 . THR 146 146 27811 1 . ALA 147 147 27811 1 . GLY 148 148 27811 1 . THR 149 149 27811 1 . GLY 150 150 27811 1 . GLY 151 151 27811 1 . LYS 152 152 27811 1 . PRO 153 153 27811 1 . ALA 154 154 27811 1 . THR 155 155 27811 1 . LEU 156 156 27811 1 . SER 157 157 27811 1 . THR 158 158 27811 1 . GLY 159 159 27811 1 . ALA 160 160 27811 1 . VAL 161 161 27811 1 . VAL 162 162 27811 1 . LYS 163 163 27811 1 . VAL 164 164 27811 1 . PRO 165 165 27811 1 . LEU 166 166 27811 1 . PHE 167 167 27811 1 . VAL 168 168 27811 1 . GLN 169 169 27811 1 . ILE 170 170 27811 1 . GLY 171 171 27811 1 . GLU 172 172 27811 1 . VAL 173 173 27811 1 . ILE 174 174 27811 1 . LYS 175 175 27811 1 . VAL 176 176 27811 1 . ASP 177 177 27811 1 . THR 178 178 27811 1 . ARG 179 179 27811 1 . SER 180 180 27811 1 . GLY 181 181 27811 1 . GLU 182 182 27811 1 . TYR 183 183 27811 1 . VAL 184 184 27811 1 . SER 185 185 27811 1 . ARG 186 186 27811 1 . VAL 187 187 27811 1 . LYS 188 188 27811 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 27811 _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 $EFP . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 27811 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 27811 _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 $EFP . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . NA . . . 27811 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27811 _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 EFP '[U-100% 13C; U-100% 15N]' . . 1 $EFP . . 0.8 . . mM . . . . 27811 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 27811 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 27811 1 pH 6.5 . pH 27811 1 pressure 1 . atm 27811 1 temperature 298 . K 27811 1 stop_ save_ ############################ # Computer software used # ############################ save_Cara _Software.Sf_category software _Software.Sf_framecode Cara _Software.Entry_ID 27811 _Software.ID 1 _Software.Type . _Software.Name Cara _Software.Version . _Software.DOI . _Software.Details Cara loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 27811 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27811 1 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 27811 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27811 _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 . 600 . . . 27811 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 27811 _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 . . . . . . . . . . . . . . . . 27811 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27811 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27811 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27811 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27811 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27811 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 27811 _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 glucose 'methyl carbon' . . . . ppm 0 internal indirect 1.0 . . . . . 27811 1 H 1 water protons . . . . ppm 4.7 internal indirect 1.0 . . . . . 27811 1 N 15 '[15N] ammonium chloride' nitrogen . . . . ppm 0 internal indirect 1.0 . . . . . 27811 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 27811 _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' . . . 27811 1 2 '3D HNCACB' . . . 27811 1 3 '3D HNCA' . . . 27811 1 4 '3D CBCA(CO)NH' . . . 27811 1 5 '3D HNCO' . . . 27811 1 6 '3D C(CO)NH' . . . 27811 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA H H 1 8.449 0.020 . 1 . . . . . 2 ALA H . 27811 1 2 . 1 1 2 2 ALA CA C 13 52.222 0.3 . 1 . . . . . 2 ALA CA . 27811 1 3 . 1 1 2 2 ALA CB C 13 19.370 0.3 . 1 . . . . . 2 ALA CB . 27811 1 4 . 1 1 2 2 ALA N N 15 125.225 0.3 . 1 . . . . . 2 ALA N . 27811 1 5 . 1 1 3 3 THR H H 1 7.873 0.020 . 1 . . . . . 3 THR H . 27811 1 6 . 1 1 3 3 THR CA C 13 62.278 0.3 . 1 . . . . . 3 THR CA . 27811 1 7 . 1 1 3 3 THR CB C 13 70.166 0.3 . 1 . . . . . 3 THR CB . 27811 1 8 . 1 1 3 3 THR N N 15 115.110 0.3 . 1 . . . . . 3 THR N . 27811 1 9 . 1 1 4 4 TYR H H 1 8.908 0.020 . 1 . . . . . 4 TYR H . 27811 1 10 . 1 1 4 4 TYR CA C 13 56.552 0.3 . 1 . . . . . 4 TYR CA . 27811 1 11 . 1 1 4 4 TYR CB C 13 40.815 0.3 . 1 . . . . . 4 TYR CB . 27811 1 12 . 1 1 4 4 TYR N N 15 124.982 0.3 . 1 . . . . . 4 TYR N . 27811 1 13 . 1 1 5 5 TYR H H 1 9.223 0.020 . 1 . . . . . 5 TYR H . 27811 1 14 . 1 1 5 5 TYR CA C 13 57.668 0.3 . 1 . . . . . 5 TYR CA . 27811 1 15 . 1 1 5 5 TYR CB C 13 39.452 0.3 . 1 . . . . . 5 TYR CB . 27811 1 16 . 1 1 5 5 TYR N N 15 122.203 0.3 . 1 . . . . . 5 TYR N . 27811 1 17 . 1 1 6 6 SER H H 1 8.178 0.020 . 1 . . . . . 6 SER H . 27811 1 18 . 1 1 6 6 SER CA C 13 60.796 0.3 . 1 . . . . . 6 SER CA . 27811 1 19 . 1 1 6 6 SER CB C 13 62.613 0.3 . 1 . . . . . 6 SER CB . 27811 1 20 . 1 1 6 6 SER N N 15 115.449 0.3 . 1 . . . . . 6 SER N . 27811 1 21 . 1 1 7 7 ASN H H 1 8.260 0.020 . 1 . . . . . 7 ASN H . 27811 1 22 . 1 1 7 7 ASN CA C 13 55.347 0.3 . 1 . . . . . 7 ASN CA . 27811 1 23 . 1 1 7 7 ASN CB C 13 37.131 0.3 . 1 . . . . . 7 ASN CB . 27811 1 24 . 1 1 7 7 ASN N N 15 117.358 0.3 . 1 . . . . . 7 ASN N . 27811 1 25 . 1 1 8 8 ASP H H 1 8.166 0.020 . 1 . . . . . 8 ASP H . 27811 1 26 . 1 1 8 8 ASP CA C 13 54.186 0.3 . 1 . . . . . 8 ASP CA . 27811 1 27 . 1 1 8 8 ASP CB C 13 42.228 0.3 . 1 . . . . . 8 ASP CB . 27811 1 28 . 1 1 8 8 ASP N N 15 116.865 0.3 . 1 . . . . . 8 ASP N . 27811 1 29 . 1 1 9 9 PHE H H 1 7.228 0.020 . 1 . . . . . 9 PHE H . 27811 1 30 . 1 1 9 9 PHE CA C 13 56.053 0.3 . 1 . . . . . 9 PHE CA . 27811 1 31 . 1 1 9 9 PHE CB C 13 35.920 0.3 . 1 . . . . . 9 PHE CB . 27811 1 32 . 1 1 9 9 PHE N N 15 118.274 0.3 . 1 . . . . . 9 PHE N . 27811 1 33 . 1 1 10 10 ARG H H 1 6.614 0.020 . 1 . . . . . 10 ARG H . 27811 1 34 . 1 1 10 10 ARG CA C 13 53.480 0.3 . 1 . . . . . 10 ARG CA . 27811 1 35 . 1 1 10 10 ARG CB C 13 32.388 0.3 . 1 . . . . . 10 ARG CB . 27811 1 36 . 1 1 10 10 ARG N N 15 118.346 0.3 . 1 . . . . . 10 ARG N . 27811 1 37 . 1 1 11 11 ALA H H 1 8.631 0.020 . 1 . . . . . 11 ALA H . 27811 1 38 . 1 1 11 11 ALA CA C 13 53.392 0.3 . 1 . . . . . 11 ALA CA . 27811 1 39 . 1 1 11 11 ALA CB C 13 17.654 0.3 . 1 . . . . . 11 ALA CB . 27811 1 40 . 1 1 11 11 ALA N N 15 122.531 0.3 . 1 . . . . . 11 ALA N . 27811 1 41 . 1 1 12 12 GLY H H 1 8.677 0.020 . 1 . . . . . 12 GLY H . 27811 1 42 . 1 1 12 12 GLY CA C 13 44.699 0.3 . 1 . . . . . 12 GLY CA . 27811 1 43 . 1 1 12 12 GLY N N 15 111.335 0.3 . 1 . . . . . 12 GLY N . 27811 1 44 . 1 1 13 13 LEU H H 1 7.546 0.020 . 1 . . . . . 13 LEU H . 27811 1 45 . 1 1 13 13 LEU CA C 13 55.498 0.3 . 1 . . . . . 13 LEU CA . 27811 1 46 . 1 1 13 13 LEU CB C 13 43.338 0.3 . 1 . . . . . 13 LEU CB . 27811 1 47 . 1 1 13 13 LEU N N 15 121.895 0.3 . 1 . . . . . 13 LEU N . 27811 1 48 . 1 1 14 14 LYS H H 1 8.359 0.020 . 1 . . . . . 14 LYS H . 27811 1 49 . 1 1 14 14 LYS CA C 13 54.103 0.3 . 1 . . . . . 14 LYS CA . 27811 1 50 . 1 1 14 14 LYS CB C 13 32.388 0.3 . 1 . . . . . 14 LYS CB . 27811 1 51 . 1 1 14 14 LYS N N 15 123.468 0.3 . 1 . . . . . 14 LYS N . 27811 1 52 . 1 1 15 15 ILE H H 1 8.869 0.020 . 1 . . . . . 15 ILE H . 27811 1 53 . 1 1 15 15 ILE CA C 13 58.980 0.3 . 1 . . . . . 15 ILE CA . 27811 1 54 . 1 1 15 15 ILE N N 15 116.834 0.3 . 1 . . . . . 15 ILE N . 27811 1 55 . 1 1 17 17 LEU H H 1 6.808 0.020 . 1 . . . . . 17 LEU H . 27811 1 56 . 1 1 17 17 LEU CA C 13 54.424 0.3 . 1 . . . . . 17 LEU CA . 27811 1 57 . 1 1 17 17 LEU CB C 13 41.673 0.3 . 1 . . . . . 17 LEU CB . 27811 1 58 . 1 1 17 17 LEU N N 15 116.892 0.3 . 1 . . . . . 17 LEU N . 27811 1 59 . 1 1 18 18 ASP H H 1 9.302 0.020 . 1 . . . . . 18 ASP H . 27811 1 60 . 1 1 18 18 ASP CA C 13 54.997 0.3 . 1 . . . . . 18 ASP CA . 27811 1 61 . 1 1 18 18 ASP CB C 13 39.856 0.3 . 1 . . . . . 18 ASP CB . 27811 1 62 . 1 1 18 18 ASP N N 15 124.508 0.3 . 1 . . . . . 18 ASP N . 27811 1 63 . 1 1 19 19 GLY H H 1 8.730 0.020 . 1 . . . . . 19 GLY H . 27811 1 64 . 1 1 19 19 GLY CA C 13 45.444 0.3 . 1 . . . . . 19 GLY CA . 27811 1 65 . 1 1 19 19 GLY N N 15 102.063 0.3 . 1 . . . . . 19 GLY N . 27811 1 66 . 1 1 20 20 GLU H H 1 7.976 0.020 . 1 . . . . . 20 GLU H . 27811 1 67 . 1 1 20 20 GLU CA C 13 52.824 0.3 . 1 . . . . . 20 GLU CA . 27811 1 68 . 1 1 20 20 GLU CB C 13 32.540 0.3 . 1 . . . . . 20 GLU CB . 27811 1 69 . 1 1 20 20 GLU N N 15 119.040 0.3 . 1 . . . . . 20 GLU N . 27811 1 70 . 1 1 22 22 TYR H H 1 9.612 0.020 . 1 . . . . . 22 TYR H . 27811 1 71 . 1 1 22 22 TYR CA C 13 56.121 0.3 . 1 . . . . . 22 TYR CA . 27811 1 72 . 1 1 22 22 TYR CB C 13 42.934 0.3 . 1 . . . . . 22 TYR CB . 27811 1 73 . 1 1 22 22 TYR N N 15 121.588 0.3 . 1 . . . . . 22 TYR N . 27811 1 74 . 1 1 23 23 ALA H H 1 8.857 0.020 . 1 . . . . . 23 ALA H . 27811 1 75 . 1 1 23 23 ALA CA C 13 49.393 0.3 . 1 . . . . . 23 ALA CA . 27811 1 76 . 1 1 23 23 ALA CB C 13 21.237 0.3 . 1 . . . . . 23 ALA CB . 27811 1 77 . 1 1 23 23 ALA N N 15 120.205 0.3 . 1 . . . . . 23 ALA N . 27811 1 78 . 1 1 24 24 VAL H H 1 8.988 0.020 . 1 . . . . . 24 VAL H . 27811 1 79 . 1 1 24 24 VAL CA C 13 63.460 0.3 . 1 . . . . . 24 VAL CA . 27811 1 80 . 1 1 24 24 VAL CB C 13 31.026 0.3 . 1 . . . . . 24 VAL CB . 27811 1 81 . 1 1 24 24 VAL N N 15 122.707 0.3 . 1 . . . . . 24 VAL N . 27811 1 82 . 1 1 25 25 GLU H H 1 9.455 0.020 . 1 . . . . . 25 GLU H . 27811 1 83 . 1 1 25 25 GLU CA C 13 57.360 0.3 . 1 . . . . . 25 GLU CA . 27811 1 84 . 1 1 25 25 GLU CB C 13 30.572 0.3 . 1 . . . . . 25 GLU CB . 27811 1 85 . 1 1 25 25 GLU N N 15 129.390 0.3 . 1 . . . . . 25 GLU N . 27811 1 86 . 1 1 26 26 ALA H H 1 7.786 0.020 . 1 . . . . . 26 ALA H . 27811 1 87 . 1 1 26 26 ALA CA C 13 52.017 0.3 . 1 . . . . . 26 ALA CA . 27811 1 88 . 1 1 26 26 ALA CB C 13 21.842 0.3 . 1 . . . . . 26 ALA CB . 27811 1 89 . 1 1 26 26 ALA N N 15 119.025 0.3 . 1 . . . . . 26 ALA N . 27811 1 90 . 1 1 27 27 SER H H 1 8.480 0.020 . 1 . . . . . 27 SER H . 27811 1 91 . 1 1 27 27 SER CA C 13 57.416 0.3 . 1 . . . . . 27 SER CA . 27811 1 92 . 1 1 27 27 SER CB C 13 64.883 0.3 . 1 . . . . . 27 SER CB . 27811 1 93 . 1 1 27 27 SER N N 15 113.720 0.3 . 1 . . . . . 27 SER N . 27811 1 94 . 1 1 28 28 GLU H H 1 8.409 0.020 . 1 . . . . . 28 GLU H . 27811 1 95 . 1 1 28 28 GLU CA C 13 54.584 0.3 . 1 . . . . . 28 GLU CA . 27811 1 96 . 1 1 28 28 GLU CB C 13 32.388 0.3 . 1 . . . . . 28 GLU CB . 27811 1 97 . 1 1 28 28 GLU N N 15 125.744 0.3 . 1 . . . . . 28 GLU N . 27811 1 98 . 1 1 29 29 PHE H H 1 8.805 0.020 . 1 . . . . . 29 PHE H . 27811 1 99 . 1 1 29 29 PHE CA C 13 57.769 0.3 . 1 . . . . . 29 PHE CA . 27811 1 100 . 1 1 29 29 PHE CB C 13 39.503 0.3 . 1 . . . . . 29 PHE CB . 27811 1 101 . 1 1 29 29 PHE N N 15 125.986 0.3 . 1 . . . . . 29 PHE N . 27811 1 102 . 1 1 30 30 VAL H H 1 8.692 0.020 . 1 . . . . . 30 VAL H . 27811 1 103 . 1 1 30 30 VAL CA C 13 61.511 0.3 . 1 . . . . . 30 VAL CA . 27811 1 104 . 1 1 30 30 VAL CB C 13 32.741 0.3 . 1 . . . . . 30 VAL CB . 27811 1 105 . 1 1 30 30 VAL N N 15 127.996 0.3 . 1 . . . . . 30 VAL N . 27811 1 106 . 1 1 31 31 LYS H H 1 8.298 0.020 . 1 . . . . . 31 LYS H . 27811 1 107 . 1 1 31 31 LYS CA C 13 52.673 0.3 . 1 . . . . . 31 LYS CA . 27811 1 108 . 1 1 31 31 LYS CB C 13 32.590 0.3 . 1 . . . . . 31 LYS CB . 27811 1 109 . 1 1 31 31 LYS N N 15 125.751 0.3 . 1 . . . . . 31 LYS N . 27811 1 110 . 1 1 33 33 GLY H H 1 8.410 0.020 . 1 . . . . . 33 GLY H . 27811 1 111 . 1 1 33 33 GLY CA C 13 46.214 0.3 . 1 . . . . . 33 GLY CA . 27811 1 112 . 1 1 33 33 GLY N N 15 109.160 0.3 . 1 . . . . . 33 GLY N . 27811 1 113 . 1 1 34 34 LYS H H 1 8.006 0.020 . 1 . . . . . 34 LYS H . 27811 1 114 . 1 1 34 34 LYS CA C 13 55.902 0.3 . 1 . . . . . 34 LYS CA . 27811 1 115 . 1 1 34 34 LYS CB C 13 33.145 0.3 . 1 . . . . . 34 LYS CB . 27811 1 116 . 1 1 34 34 LYS N N 15 120.096 0.3 . 1 . . . . . 34 LYS N . 27811 1 117 . 1 1 35 35 GLY H H 1 8.300 0.020 . 1 . . . . . 35 GLY H . 27811 1 118 . 1 1 35 35 GLY CA C 13 44.196 0.3 . 1 . . . . . 35 GLY CA . 27811 1 119 . 1 1 35 35 GLY N N 15 109.715 0.3 . 1 . . . . . 35 GLY N . 27811 1 120 . 1 1 36 36 GLN H H 1 8.145 0.020 . 1 . . . . . 36 GLN H . 27811 1 121 . 1 1 36 36 GLN CA C 13 55.549 0.3 . 1 . . . . . 36 GLN CA . 27811 1 122 . 1 1 36 36 GLN CB C 13 30.017 0.3 . 1 . . . . . 36 GLN CB . 27811 1 123 . 1 1 36 36 GLN N N 15 118.673 0.3 . 1 . . . . . 36 GLN N . 27811 1 124 . 1 1 37 37 ALA H H 1 8.390 0.020 . 1 . . . . . 37 ALA H . 27811 1 125 . 1 1 37 37 ALA CA C 13 52.199 0.3 . 1 . . . . . 37 ALA CA . 27811 1 126 . 1 1 37 37 ALA CB C 13 19.975 0.3 . 1 . . . . . 37 ALA CB . 27811 1 127 . 1 1 37 37 ALA N N 15 124.552 0.3 . 1 . . . . . 37 ALA N . 27811 1 128 . 1 1 38 38 PHE H H 1 8.229 0.020 . 1 . . . . . 38 PHE H . 27811 1 129 . 1 1 38 38 PHE CA C 13 55.952 0.3 . 1 . . . . . 38 PHE CA . 27811 1 130 . 1 1 38 38 PHE CB C 13 40.916 0.3 . 1 . . . . . 38 PHE CB . 27811 1 131 . 1 1 38 38 PHE N N 15 116.587 0.3 . 1 . . . . . 38 PHE N . 27811 1 132 . 1 1 39 39 ALA H H 1 9.107 0.020 . 1 . . . . . 39 ALA H . 27811 1 133 . 1 1 39 39 ALA CA C 13 49.948 0.3 . 1 . . . . . 39 ALA CA . 27811 1 134 . 1 1 39 39 ALA N N 15 121.008 0.3 . 1 . . . . . 39 ALA N . 27811 1 135 . 1 1 40 40 ARG H H 1 9.093 0.020 . 1 . . . . . 40 ARG H . 27811 1 136 . 1 1 40 40 ARG CA C 13 55.751 0.3 . 1 . . . . . 40 ARG CA . 27811 1 137 . 1 1 40 40 ARG CB C 13 31.379 0.3 . 1 . . . . . 40 ARG CB . 27811 1 138 . 1 1 40 40 ARG N N 15 124.599 0.3 . 1 . . . . . 40 ARG N . 27811 1 139 . 1 1 41 41 VAL H H 1 9.134 0.020 . 1 . . . . . 41 VAL H . 27811 1 140 . 1 1 41 41 VAL CA C 13 61.099 0.3 . 1 . . . . . 41 VAL CA . 27811 1 141 . 1 1 41 41 VAL CB C 13 35.163 0.3 . 1 . . . . . 41 VAL CB . 27811 1 142 . 1 1 41 41 VAL N N 15 127.757 0.3 . 1 . . . . . 41 VAL N . 27811 1 143 . 1 1 42 42 LYS H H 1 8.670 0.020 . 1 . . . . . 42 LYS H . 27811 1 144 . 1 1 42 42 LYS CA C 13 55.650 0.3 . 1 . . . . . 42 LYS CA . 27811 1 145 . 1 1 42 42 LYS CB C 13 33.095 0.3 . 1 . . . . . 42 LYS CB . 27811 1 146 . 1 1 42 42 LYS N N 15 126.946 0.3 . 1 . . . . . 42 LYS N . 27811 1 147 . 1 1 43 43 LEU H H 1 9.288 0.020 . 1 . . . . . 43 LEU H . 27811 1 148 . 1 1 43 43 LEU CA C 13 53.379 0.3 . 1 . . . . . 43 LEU CA . 27811 1 149 . 1 1 43 43 LEU CB C 13 46.517 0.3 . 1 . . . . . 43 LEU CB . 27811 1 150 . 1 1 43 43 LEU N N 15 124.514 0.3 . 1 . . . . . 43 LEU N . 27811 1 151 . 1 1 44 44 ARG H H 1 9.372 0.020 . 1 . . . . . 44 ARG H . 27811 1 152 . 1 1 44 44 ARG CA C 13 54.085 0.3 . 1 . . . . . 44 ARG CA . 27811 1 153 . 1 1 44 44 ARG CB C 13 32.388 0.3 . 1 . . . . . 44 ARG CB . 27811 1 154 . 1 1 44 44 ARG N N 15 121.886 0.3 . 1 . . . . . 44 ARG N . 27811 1 155 . 1 1 45 45 ARG H H 1 9.135 0.020 . 1 . . . . . 45 ARG H . 27811 1 156 . 1 1 45 45 ARG CA C 13 56.053 0.3 . 1 . . . . . 45 ARG CA . 27811 1 157 . 1 1 45 45 ARG CB C 13 32.338 0.3 . 1 . . . . . 45 ARG CB . 27811 1 158 . 1 1 45 45 ARG N N 15 131.039 0.3 . 1 . . . . . 45 ARG N . 27811 1 159 . 1 1 46 46 LEU H H 1 7.193 0.020 . 1 . . . . . 46 LEU H . 27811 1 160 . 1 1 46 46 LEU CA C 13 57.971 0.3 . 1 . . . . . 46 LEU CA . 27811 1 161 . 1 1 46 46 LEU N N 15 128.514 0.3 . 1 . . . . . 46 LEU N . 27811 1 162 . 1 1 47 47 LEU H H 1 9.648 0.020 . 1 . . . . . 47 LEU H . 27811 1 163 . 1 1 47 47 LEU CA C 13 56.911 0.3 . 1 . . . . . 47 LEU CA . 27811 1 164 . 1 1 47 47 LEU N N 15 115.956 0.3 . 1 . . . . . 47 LEU N . 27811 1 165 . 1 1 48 48 THR H H 1 6.771 0.020 . 1 . . . . . 48 THR H . 27811 1 166 . 1 1 48 48 THR CA C 13 61.160 0.3 . 1 . . . . . 48 THR CA . 27811 1 167 . 1 1 48 48 THR CB C 13 69.577 0.3 . 1 . . . . . 48 THR CB . 27811 1 168 . 1 1 48 48 THR N N 15 102.832 0.3 . 1 . . . . . 48 THR N . 27811 1 169 . 1 1 49 49 GLY H H 1 8.486 0.020 . 1 . . . . . 49 GLY H . 27811 1 170 . 1 1 49 49 GLY CA C 13 45.760 0.3 . 1 . . . . . 49 GLY CA . 27811 1 171 . 1 1 49 49 GLY N N 15 111.621 0.3 . 1 . . . . . 49 GLY N . 27811 1 172 . 1 1 50 50 THR H H 1 7.471 0.020 . 1 . . . . . 50 THR H . 27811 1 173 . 1 1 50 50 THR CA C 13 61.250 0.3 . 1 . . . . . 50 THR CA . 27811 1 174 . 1 1 50 50 THR CB C 13 70.182 0.3 . 1 . . . . . 50 THR CB . 27811 1 175 . 1 1 50 50 THR N N 15 111.901 0.3 . 1 . . . . . 50 THR N . 27811 1 176 . 1 1 51 51 ARG H H 1 8.607 0.020 . 1 . . . . . 51 ARG H . 27811 1 177 . 1 1 51 51 ARG CA C 13 55.410 0.3 . 1 . . . . . 51 ARG CA . 27811 1 178 . 1 1 51 51 ARG CB C 13 31.884 0.3 . 1 . . . . . 51 ARG CB . 27811 1 179 . 1 1 51 51 ARG N N 15 122.452 0.3 . 1 . . . . . 51 ARG N . 27811 1 180 . 1 1 52 52 VAL H H 1 8.885 0.020 . 1 . . . . . 52 VAL H . 27811 1 181 . 1 1 52 52 VAL CA C 13 59.838 0.3 . 1 . . . . . 52 VAL CA . 27811 1 182 . 1 1 52 52 VAL CB C 13 35.718 0.3 . 1 . . . . . 52 VAL CB . 27811 1 183 . 1 1 52 52 VAL N N 15 120.139 0.3 . 1 . . . . . 52 VAL N . 27811 1 184 . 1 1 53 53 GLU H H 1 8.478 0.020 . 1 . . . . . 53 GLU H . 27811 1 185 . 1 1 53 53 GLU CA C 13 54.590 0.3 . 1 . . . . . 53 GLU CA . 27811 1 186 . 1 1 53 53 GLU CB C 13 32.035 0.3 . 1 . . . . . 53 GLU CB . 27811 1 187 . 1 1 53 53 GLU N N 15 124.382 0.3 . 1 . . . . . 53 GLU N . 27811 1 188 . 1 1 54 54 LYS H H 1 8.895 0.020 . 1 . . . . . 54 LYS H . 27811 1 189 . 1 1 54 54 LYS CA C 13 54.540 0.3 . 1 . . . . . 54 LYS CA . 27811 1 190 . 1 1 54 54 LYS CB C 13 37.787 0.3 . 1 . . . . . 54 LYS CB . 27811 1 191 . 1 1 54 54 LYS N N 15 124.489 0.3 . 1 . . . . . 54 LYS N . 27811 1 192 . 1 1 55 55 THR H H 1 8.242 0.020 . 1 . . . . . 55 THR H . 27811 1 193 . 1 1 55 55 THR CA C 13 60.695 0.3 . 1 . . . . . 55 THR CA . 27811 1 194 . 1 1 55 55 THR CB C 13 69.929 0.3 . 1 . . . . . 55 THR CB . 27811 1 195 . 1 1 55 55 THR N N 15 116.571 0.3 . 1 . . . . . 55 THR N . 27811 1 196 . 1 1 56 56 PHE H H 1 9.337 0.020 . 1 . . . . . 56 PHE H . 27811 1 197 . 1 1 56 56 PHE CA C 13 56.709 0.3 . 1 . . . . . 56 PHE CA . 27811 1 198 . 1 1 56 56 PHE CB C 13 42.429 0.3 . 1 . . . . . 56 PHE CB . 27811 1 199 . 1 1 56 56 PHE N N 15 123.291 0.3 . 1 . . . . . 56 PHE N . 27811 1 200 . 1 1 57 57 LYS H H 1 9.535 0.020 . 1 . . . . . 57 LYS H . 27811 1 201 . 1 1 57 57 LYS CA C 13 56.053 0.3 . 1 . . . . . 57 LYS CA . 27811 1 202 . 1 1 57 57 LYS CB C 13 33.902 0.3 . 1 . . . . . 57 LYS CB . 27811 1 203 . 1 1 57 57 LYS N N 15 122.494 0.3 . 1 . . . . . 57 LYS N . 27811 1 204 . 1 1 58 58 SER H H 1 9.047 0.020 . 1 . . . . . 58 SER H . 27811 1 205 . 1 1 58 58 SER CA C 13 61.604 0.3 . 1 . . . . . 58 SER CA . 27811 1 206 . 1 1 58 58 SER N N 15 118.829 0.3 . 1 . . . . . 58 SER N . 27811 1 207 . 1 1 59 59 THR H H 1 6.979 0.020 . 1 . . . . . 59 THR H . 27811 1 208 . 1 1 59 59 THR CA C 13 61.236 0.3 . 1 . . . . . 59 THR CA . 27811 1 209 . 1 1 59 59 THR CB C 13 68.690 0.3 . 1 . . . . . 59 THR CB . 27811 1 210 . 1 1 59 59 THR N N 15 106.099 0.3 . 1 . . . . . 59 THR N . 27811 1 211 . 1 1 60 60 ASP H H 1 7.646 0.020 . 1 . . . . . 60 ASP H . 27811 1 212 . 1 1 60 60 ASP CA C 13 55.044 0.3 . 1 . . . . . 60 ASP CA . 27811 1 213 . 1 1 60 60 ASP CB C 13 42.480 0.3 . 1 . . . . . 60 ASP CB . 27811 1 214 . 1 1 60 60 ASP N N 15 122.935 0.3 . 1 . . . . . 60 ASP N . 27811 1 215 . 1 1 61 61 SER H H 1 8.220 0.020 . 1 . . . . . 61 SER H . 27811 1 216 . 1 1 61 61 SER CA C 13 55.902 0.3 . 1 . . . . . 61 SER CA . 27811 1 217 . 1 1 61 61 SER CB C 13 67.003 0.3 . 1 . . . . . 61 SER CB . 27811 1 218 . 1 1 61 61 SER N N 15 112.415 0.3 . 1 . . . . . 61 SER N . 27811 1 219 . 1 1 62 62 ALA H H 1 9.058 0.020 . 1 . . . . . 62 ALA H . 27811 1 220 . 1 1 62 62 ALA CA C 13 51.260 0.3 . 1 . . . . . 62 ALA CA . 27811 1 221 . 1 1 62 62 ALA CB C 13 23.053 0.3 . 1 . . . . . 62 ALA CB . 27811 1 222 . 1 1 62 62 ALA N N 15 120.604 0.3 . 1 . . . . . 62 ALA N . 27811 1 223 . 1 1 63 63 GLU H H 1 8.857 0.020 . 1 . . . . . 63 GLU H . 27811 1 224 . 1 1 63 63 GLU CA C 13 55.347 0.3 . 1 . . . . . 63 GLU CA . 27811 1 225 . 1 1 63 63 GLU CB C 13 31.076 0.3 . 1 . . . . . 63 GLU CB . 27811 1 226 . 1 1 63 63 GLU N N 15 122.215 0.3 . 1 . . . . . 63 GLU N . 27811 1 227 . 1 1 64 64 GLY H H 1 8.915 0.020 . 1 . . . . . 64 GLY H . 27811 1 228 . 1 1 64 64 GLY CA C 13 45.911 0.3 . 1 . . . . . 64 GLY CA . 27811 1 229 . 1 1 64 64 GLY N N 15 107.852 0.3 . 1 . . . . . 64 GLY N . 27811 1 230 . 1 1 65 65 ALA H H 1 7.838 0.020 . 1 . . . . . 65 ALA H . 27811 1 231 . 1 1 65 65 ALA CA C 13 49.796 0.3 . 1 . . . . . 65 ALA CA . 27811 1 232 . 1 1 65 65 ALA CB C 13 21.792 0.3 . 1 . . . . . 65 ALA CB . 27811 1 233 . 1 1 65 65 ALA N N 15 122.680 0.3 . 1 . . . . . 65 ALA N . 27811 1 234 . 1 1 66 66 ASP H H 1 9.503 0.020 . 1 . . . . . 66 ASP H . 27811 1 235 . 1 1 66 66 ASP CA C 13 52.925 0.3 . 1 . . . . . 66 ASP CA . 27811 1 236 . 1 1 66 66 ASP CB C 13 38.595 0.3 . 1 . . . . . 66 ASP CB . 27811 1 237 . 1 1 66 66 ASP N N 15 124.502 0.3 . 1 . . . . . 66 ASP N . 27811 1 238 . 1 1 67 67 VAL H H 1 7.426 0.020 . 1 . . . . . 67 VAL H . 27811 1 239 . 1 1 67 67 VAL CA C 13 59.484 0.3 . 1 . . . . . 67 VAL CA . 27811 1 240 . 1 1 67 67 VAL CB C 13 34.356 0.3 . 1 . . . . . 67 VAL CB . 27811 1 241 . 1 1 67 67 VAL N N 15 122.875 0.3 . 1 . . . . . 67 VAL N . 27811 1 242 . 1 1 68 68 VAL H H 1 8.571 0.020 . 1 . . . . . 68 VAL H . 27811 1 243 . 1 1 68 68 VAL CA C 13 60.227 0.3 . 1 . . . . . 68 VAL CA . 27811 1 244 . 1 1 68 68 VAL CB C 13 35.718 0.3 . 1 . . . . . 68 VAL CB . 27811 1 245 . 1 1 68 68 VAL N N 15 124.351 0.3 . 1 . . . . . 68 VAL N . 27811 1 246 . 1 1 69 69 ASP H H 1 8.404 0.020 . 1 . . . . . 69 ASP H . 27811 1 247 . 1 1 69 69 ASP CA C 13 52.910 0.3 . 1 . . . . . 69 ASP CA . 27811 1 248 . 1 1 69 69 ASP CB C 13 41.874 0.3 . 1 . . . . . 69 ASP CB . 27811 1 249 . 1 1 69 69 ASP N N 15 125.194 0.3 . 1 . . . . . 69 ASP N . 27811 1 250 . 1 1 70 70 MET H H 1 9.061 0.020 . 1 . . . . . 70 MET H . 27811 1 251 . 1 1 70 70 MET CA C 13 53.833 0.3 . 1 . . . . . 70 MET CA . 27811 1 252 . 1 1 70 70 MET CB C 13 35.517 0.3 . 1 . . . . . 70 MET CB . 27811 1 253 . 1 1 70 70 MET N N 15 121.746 0.3 . 1 . . . . . 70 MET N . 27811 1 254 . 1 1 71 71 ASN H H 1 8.678 0.020 . 1 . . . . . 71 ASN H . 27811 1 255 . 1 1 71 71 ASN CA C 13 52.956 0.3 . 1 . . . . . 71 ASN CA . 27811 1 256 . 1 1 71 71 ASN CB C 13 38.090 0.3 . 1 . . . . . 71 ASN CB . 27811 1 257 . 1 1 71 71 ASN N N 15 123.407 0.3 . 1 . . . . . 71 ASN N . 27811 1 258 . 1 1 72 72 LEU H H 1 8.568 0.020 . 1 . . . . . 72 LEU H . 27811 1 259 . 1 1 72 72 LEU CA C 13 53.162 0.3 . 1 . . . . . 72 LEU CA . 27811 1 260 . 1 1 72 72 LEU CB C 13 46.971 0.3 . 1 . . . . . 72 LEU CB . 27811 1 261 . 1 1 72 72 LEU N N 15 123.832 0.3 . 1 . . . . . 72 LEU N . 27811 1 262 . 1 1 73 73 THR H H 1 8.910 0.020 . 1 . . . . . 73 THR H . 27811 1 263 . 1 1 73 73 THR CA C 13 62.714 0.3 . 1 . . . . . 73 THR CA . 27811 1 264 . 1 1 73 73 THR CB C 13 70.383 0.3 . 1 . . . . . 73 THR CB . 27811 1 265 . 1 1 73 73 THR N N 15 118.056 0.3 . 1 . . . . . 73 THR N . 27811 1 266 . 1 1 74 74 TYR H H 1 9.475 0.020 . 1 . . . . . 74 TYR H . 27811 1 267 . 1 1 74 74 TYR CA C 13 58.162 0.3 . 1 . . . . . 74 TYR CA . 27811 1 268 . 1 1 74 74 TYR CB C 13 39.503 0.3 . 1 . . . . . 74 TYR CB . 27811 1 269 . 1 1 74 74 TYR N N 15 129.217 0.3 . 1 . . . . . 74 TYR N . 27811 1 270 . 1 1 76 76 TYR H H 1 6.375 0.020 . 1 . . . . . 76 TYR H . 27811 1 271 . 1 1 76 76 TYR CA C 13 56.659 0.3 . 1 . . . . . 76 TYR CA . 27811 1 272 . 1 1 76 76 TYR N N 15 111.314 0.3 . 1 . . . . . 76 TYR N . 27811 1 273 . 1 1 77 77 ASN H H 1 8.861 0.020 . 1 . . . . . 77 ASN H . 27811 1 274 . 1 1 77 77 ASN CA C 13 51.966 0.3 . 1 . . . . . 77 ASN CA . 27811 1 275 . 1 1 77 77 ASN CB C 13 41.471 0.3 . 1 . . . . . 77 ASN CB . 27811 1 276 . 1 1 77 77 ASN N N 15 117.600 0.3 . 1 . . . . . 77 ASN N . 27811 1 277 . 1 1 78 78 ASP H H 1 8.135 0.020 . 1 . . . . . 78 ASP H . 27811 1 278 . 1 1 78 78 ASP CA C 13 52.118 0.3 . 1 . . . . . 78 ASP CA . 27811 1 279 . 1 1 78 78 ASP CB C 13 42.278 0.3 . 1 . . . . . 78 ASP CB . 27811 1 280 . 1 1 78 78 ASP N N 15 120.256 0.3 . 1 . . . . . 78 ASP N . 27811 1 281 . 1 1 79 79 GLY H H 1 8.235 0.020 . 1 . . . . . 79 GLY H . 27811 1 282 . 1 1 79 79 GLY CA C 13 44.975 0.3 . 1 . . . . . 79 GLY CA . 27811 1 283 . 1 1 79 79 GLY N N 15 110.744 0.3 . 1 . . . . . 79 GLY N . 27811 1 284 . 1 1 80 80 GLU H H 1 8.206 0.020 . 1 . . . . . 80 GLU H . 27811 1 285 . 1 1 80 80 GLU CA C 13 57.668 0.3 . 1 . . . . . 80 GLU CA . 27811 1 286 . 1 1 80 80 GLU CB C 13 32.085 0.3 . 1 . . . . . 80 GLU CB . 27811 1 287 . 1 1 80 80 GLU N N 15 121.366 0.3 . 1 . . . . . 80 GLU N . 27811 1 288 . 1 1 82 82 TRP H H 1 8.207 0.020 . 1 . . . . . 82 TRP H . 27811 1 289 . 1 1 82 82 TRP CA C 13 58.094 0.3 . 1 . . . . . 82 TRP CA . 27811 1 290 . 1 1 82 82 TRP N N 15 127.072 0.3 . 1 . . . . . 82 TRP N . 27811 1 291 . 1 1 83 83 HIS H H 1 8.720 0.020 . 1 . . . . . 83 HIS H . 27811 1 292 . 1 1 83 83 HIS CA C 13 55.594 0.3 . 1 . . . . . 83 HIS CA . 27811 1 293 . 1 1 83 83 HIS N N 15 121.454 0.3 . 1 . . . . . 83 HIS N . 27811 1 294 . 1 1 84 84 PHE H H 1 9.319 0.020 . 1 . . . . . 84 PHE H . 27811 1 295 . 1 1 84 84 PHE CA C 13 55.952 0.3 . 1 . . . . . 84 PHE CA . 27811 1 296 . 1 1 84 84 PHE N N 15 120.107 0.3 . 1 . . . . . 84 PHE N . 27811 1 297 . 1 1 85 85 MET H H 1 9.662 0.020 . 1 . . . . . 85 MET H . 27811 1 298 . 1 1 85 85 MET CA C 13 53.934 0.3 . 1 . . . . . 85 MET CA . 27811 1 299 . 1 1 85 85 MET CB C 13 37.283 0.3 . 1 . . . . . 85 MET CB . 27811 1 300 . 1 1 85 85 MET N N 15 119.503 0.3 . 1 . . . . . 85 MET N . 27811 1 301 . 1 1 86 86 ASN H H 1 8.558 0.020 . 1 . . . . . 86 ASN H . 27811 1 302 . 1 1 86 86 ASN CA C 13 52.429 0.3 . 1 . . . . . 86 ASN CA . 27811 1 303 . 1 1 86 86 ASN CB C 13 39.352 0.3 . 1 . . . . . 86 ASN CB . 27811 1 304 . 1 1 86 86 ASN N N 15 124.041 0.3 . 1 . . . . . 86 ASN N . 27811 1 305 . 1 1 87 87 ASN H H 1 9.228 0.020 . 1 . . . . . 87 ASN H . 27811 1 306 . 1 1 87 87 ASN CA C 13 55.246 0.3 . 1 . . . . . 87 ASN CA . 27811 1 307 . 1 1 87 87 ASN CB C 13 38.544 0.3 . 1 . . . . . 87 ASN CB . 27811 1 308 . 1 1 87 87 ASN N N 15 125.645 0.3 . 1 . . . . . 87 ASN N . 27811 1 309 . 1 1 88 88 GLU H H 1 8.449 0.020 . 1 . . . . . 88 GLU H . 27811 1 310 . 1 1 88 88 GLU CA C 13 57.718 0.3 . 1 . . . . . 88 GLU CA . 27811 1 311 . 1 1 88 88 GLU CB C 13 30.269 0.3 . 1 . . . . . 88 GLU CB . 27811 1 312 . 1 1 88 88 GLU N N 15 116.544 0.3 . 1 . . . . . 88 GLU N . 27811 1 313 . 1 1 89 89 THR H H 1 7.262 0.020 . 1 . . . . . 89 THR H . 27811 1 314 . 1 1 89 89 THR CA C 13 60.998 0.3 . 1 . . . . . 89 THR CA . 27811 1 315 . 1 1 89 89 THR CB C 13 70.232 0.3 . 1 . . . . . 89 THR CB . 27811 1 316 . 1 1 89 89 THR N N 15 106.090 0.3 . 1 . . . . . 89 THR N . 27811 1 317 . 1 1 90 90 PHE H H 1 8.011 0.020 . 1 . . . . . 90 PHE H . 27811 1 318 . 1 1 90 90 PHE CA C 13 59.636 0.3 . 1 . . . . . 90 PHE CA . 27811 1 319 . 1 1 90 90 PHE CB C 13 35.466 0.3 . 1 . . . . . 90 PHE CB . 27811 1 320 . 1 1 90 90 PHE N N 15 116.802 0.3 . 1 . . . . . 90 PHE N . 27811 1 321 . 1 1 91 91 GLU H H 1 7.667 0.020 . 1 . . . . . 91 GLU H . 27811 1 322 . 1 1 91 91 GLU CA C 13 56.659 0.3 . 1 . . . . . 91 GLU CA . 27811 1 323 . 1 1 91 91 GLU CB C 13 31.177 0.3 . 1 . . . . . 91 GLU CB . 27811 1 324 . 1 1 91 91 GLU N N 15 119.402 0.3 . 1 . . . . . 91 GLU N . 27811 1 325 . 1 1 92 92 GLN H H 1 8.637 0.020 . 1 . . . . . 92 GLN H . 27811 1 326 . 1 1 92 92 GLN CA C 13 54.699 0.3 . 1 . . . . . 92 GLN CA . 27811 1 327 . 1 1 92 92 GLN CB C 13 31.026 0.3 . 1 . . . . . 92 GLN CB . 27811 1 328 . 1 1 92 92 GLN N N 15 121.941 0.3 . 1 . . . . . 92 GLN N . 27811 1 329 . 1 1 93 93 LEU H H 1 8.818 0.020 . 1 . . . . . 93 LEU H . 27811 1 330 . 1 1 93 93 LEU CA C 13 54.590 0.3 . 1 . . . . . 93 LEU CA . 27811 1 331 . 1 1 93 93 LEU CB C 13 46.012 0.3 . 1 . . . . . 93 LEU CB . 27811 1 332 . 1 1 93 93 LEU N N 15 123.194 0.3 . 1 . . . . . 93 LEU N . 27811 1 333 . 1 1 94 94 SER H H 1 8.608 0.020 . 1 . . . . . 94 SER H . 27811 1 334 . 1 1 94 94 SER CA C 13 56.962 0.3 . 1 . . . . . 94 SER CA . 27811 1 335 . 1 1 94 94 SER CB C 13 65.186 0.3 . 1 . . . . . 94 SER CB . 27811 1 336 . 1 1 94 94 SER N N 15 117.747 0.3 . 1 . . . . . 94 SER N . 27811 1 337 . 1 1 95 95 ALA H H 1 9.597 0.020 . 1 . . . . . 95 ALA H . 27811 1 338 . 1 1 95 95 ALA CA C 13 49.595 0.3 . 1 . . . . . 95 ALA CA . 27811 1 339 . 1 1 95 95 ALA CB C 13 22.599 0.3 . 1 . . . . . 95 ALA CB . 27811 1 340 . 1 1 95 95 ALA N N 15 125.457 0.3 . 1 . . . . . 95 ALA N . 27811 1 341 . 1 1 96 96 ASP H H 1 8.585 0.020 . 1 . . . . . 96 ASP H . 27811 1 342 . 1 1 96 96 ASP CA C 13 52.199 0.3 . 1 . . . . . 96 ASP CA . 27811 1 343 . 1 1 96 96 ASP CB C 13 41.824 0.3 . 1 . . . . . 96 ASP CB . 27811 1 344 . 1 1 96 96 ASP N N 15 121.625 0.3 . 1 . . . . . 96 ASP N . 27811 1 345 . 1 1 97 97 ALA H H 1 8.142 0.020 . 1 . . . . . 97 ALA H . 27811 1 346 . 1 1 97 97 ALA CA C 13 54.842 0.3 . 1 . . . . . 97 ALA CA . 27811 1 347 . 1 1 97 97 ALA CB C 13 18.411 0.3 . 1 . . . . . 97 ALA CB . 27811 1 348 . 1 1 97 97 ALA N N 15 118.035 0.3 . 1 . . . . . 97 ALA N . 27811 1 349 . 1 1 98 98 LYS H H 1 7.969 0.020 . 1 . . . . . 98 LYS H . 27811 1 350 . 1 1 98 98 LYS CA C 13 58.728 0.3 . 1 . . . . . 98 LYS CA . 27811 1 351 . 1 1 98 98 LYS CB C 13 31.076 0.3 . 1 . . . . . 98 LYS CB . 27811 1 352 . 1 1 98 98 LYS N N 15 118.747 0.3 . 1 . . . . . 98 LYS N . 27811 1 353 . 1 1 99 99 ALA H H 1 7.557 0.020 . 1 . . . . . 99 ALA H . 27811 1 354 . 1 1 99 99 ALA CA C 13 53.530 0.3 . 1 . . . . . 99 ALA CA . 27811 1 355 . 1 1 99 99 ALA CB C 13 18.310 0.3 . 1 . . . . . 99 ALA CB . 27811 1 356 . 1 1 99 99 ALA N N 15 121.246 0.3 . 1 . . . . . 99 ALA N . 27811 1 357 . 1 1 100 100 ILE H H 1 7.154 0.020 . 1 . . . . . 100 ILE H . 27811 1 358 . 1 1 100 100 ILE CA C 13 60.039 0.3 . 1 . . . . . 100 ILE CA . 27811 1 359 . 1 1 100 100 ILE CB C 13 36.425 0.3 . 1 . . . . . 100 ILE CB . 27811 1 360 . 1 1 100 100 ILE N N 15 116.141 0.3 . 1 . . . . . 100 ILE N . 27811 1 361 . 1 1 101 101 GLY H H 1 7.669 0.020 . 1 . . . . . 101 GLY H . 27811 1 362 . 1 1 101 101 GLY CA C 13 46.365 0.3 . 1 . . . . . 101 GLY CA . 27811 1 363 . 1 1 101 101 GLY N N 15 107.367 0.3 . 1 . . . . . 101 GLY N . 27811 1 364 . 1 1 102 102 ASP H H 1 8.952 0.020 . 1 . . . . . 102 ASP H . 27811 1 365 . 1 1 102 102 ASP CA C 13 54.676 0.3 . 1 . . . . . 102 ASP CA . 27811 1 366 . 1 1 102 102 ASP CB C 13 40.613 0.3 . 1 . . . . . 102 ASP CB . 27811 1 367 . 1 1 102 102 ASP N N 15 126.211 0.3 . 1 . . . . . 102 ASP N . 27811 1 368 . 1 1 103 103 ASN H H 1 7.770 0.020 . 1 . . . . . 103 ASN H . 27811 1 369 . 1 1 103 103 ASN CA C 13 54.388 0.3 . 1 . . . . . 103 ASN CA . 27811 1 370 . 1 1 103 103 ASN CB C 13 38.595 0.3 . 1 . . . . . 103 ASN CB . 27811 1 371 . 1 1 103 103 ASN N N 15 113.053 0.3 . 1 . . . . . 103 ASN N . 27811 1 372 . 1 1 104 104 ALA H H 1 7.408 0.020 . 1 . . . . . 104 ALA H . 27811 1 373 . 1 1 104 104 ALA CA C 13 55.549 0.3 . 1 . . . . . 104 ALA CA . 27811 1 374 . 1 1 104 104 ALA CB C 13 17.654 0.3 . 1 . . . . . 104 ALA CB . 27811 1 375 . 1 1 104 104 ALA N N 15 123.714 0.3 . 1 . . . . . 104 ALA N . 27811 1 376 . 1 1 106 106 TRP H H 1 9.190 0.020 . 1 . . . . . 106 TRP H . 27811 1 377 . 1 1 106 106 TRP CA C 13 56.962 0.3 . 1 . . . . . 106 TRP CA . 27811 1 378 . 1 1 106 106 TRP CB C 13 32.388 0.3 . 1 . . . . . 106 TRP CB . 27811 1 379 . 1 1 106 106 TRP N N 15 118.878 0.3 . 1 . . . . . 106 TRP N . 27811 1 380 . 1 1 107 107 LEU H H 1 9.354 0.020 . 1 . . . . . 107 LEU H . 27811 1 381 . 1 1 107 107 LEU CA C 13 56.911 0.3 . 1 . . . . . 107 LEU CA . 27811 1 382 . 1 1 107 107 LEU N N 15 116.254 0.3 . 1 . . . . . 107 LEU N . 27811 1 383 . 1 1 108 108 LEU H H 1 7.063 0.020 . 1 . . . . . 108 LEU H . 27811 1 384 . 1 1 108 108 LEU CA C 13 53.682 0.3 . 1 . . . . . 108 LEU CA . 27811 1 385 . 1 1 108 108 LEU N N 15 116.501 0.3 . 1 . . . . . 108 LEU N . 27811 1 386 . 1 1 109 109 ASP H H 1 8.309 0.020 . 1 . . . . . 109 ASP H . 27811 1 387 . 1 1 109 109 ASP CA C 13 56.154 0.3 . 1 . . . . . 109 ASP CA . 27811 1 388 . 1 1 109 109 ASP CB C 13 40.563 0.3 . 1 . . . . . 109 ASP CB . 27811 1 389 . 1 1 109 109 ASP N N 15 120.131 0.3 . 1 . . . . . 109 ASP N . 27811 1 390 . 1 1 110 110 GLN H H 1 8.386 0.020 . 1 . . . . . 110 GLN H . 27811 1 391 . 1 1 110 110 GLN CA C 13 57.668 0.3 . 1 . . . . . 110 GLN CA . 27811 1 392 . 1 1 110 110 GLN CB C 13 26.081 0.3 . 1 . . . . . 110 GLN CB . 27811 1 393 . 1 1 110 110 GLN N N 15 115.324 0.3 . 1 . . . . . 110 GLN N . 27811 1 394 . 1 1 111 111 ALA H H 1 8.249 0.020 . 1 . . . . . 111 ALA H . 27811 1 395 . 1 1 111 111 ALA CA C 13 53.076 0.3 . 1 . . . . . 111 ALA CA . 27811 1 396 . 1 1 111 111 ALA CB C 13 20.682 0.3 . 1 . . . . . 111 ALA CB . 27811 1 397 . 1 1 111 111 ALA N N 15 123.439 0.3 . 1 . . . . . 111 ALA N . 27811 1 398 . 1 1 112 112 GLU H H 1 8.718 0.020 . 1 . . . . . 112 GLU H . 27811 1 399 . 1 1 112 112 GLU CA C 13 56.603 0.3 . 1 . . . . . 112 GLU CA . 27811 1 400 . 1 1 112 112 GLU CB C 13 29.462 0.3 . 1 . . . . . 112 GLU CB . 27811 1 401 . 1 1 112 112 GLU N N 15 123.431 0.3 . 1 . . . . . 112 GLU N . 27811 1 402 . 1 1 113 113 CYS H H 1 8.960 0.020 . 1 . . . . . 113 CYS H . 27811 1 403 . 1 1 113 113 CYS CA C 13 57.474 0.3 . 1 . . . . . 113 CYS CA . 27811 1 404 . 1 1 113 113 CYS CB C 13 31.379 0.3 . 1 . . . . . 113 CYS CB . 27811 1 405 . 1 1 113 113 CYS N N 15 121.838 0.3 . 1 . . . . . 113 CYS N . 27811 1 406 . 1 1 114 114 ILE H H 1 7.992 0.020 . 1 . . . . . 114 ILE H . 27811 1 407 . 1 1 114 114 ILE CA C 13 60.241 0.3 . 1 . . . . . 114 ILE CA . 27811 1 408 . 1 1 114 114 ILE CB C 13 38.292 0.3 . 1 . . . . . 114 ILE CB . 27811 1 409 . 1 1 114 114 ILE N N 15 121.086 0.3 . 1 . . . . . 114 ILE N . 27811 1 410 . 1 1 115 115 VAL H H 1 9.263 0.020 . 1 . . . . . 115 VAL H . 27811 1 411 . 1 1 115 115 VAL CA C 13 60.847 0.3 . 1 . . . . . 115 VAL CA . 27811 1 412 . 1 1 115 115 VAL CB C 13 33.347 0.3 . 1 . . . . . 115 VAL CB . 27811 1 413 . 1 1 115 115 VAL N N 15 130.537 0.3 . 1 . . . . . 115 VAL N . 27811 1 414 . 1 1 116 116 THR H H 1 8.415 0.020 . 1 . . . . . 116 THR H . 27811 1 415 . 1 1 116 116 THR CA C 13 62.130 0.3 . 1 . . . . . 116 THR CA . 27811 1 416 . 1 1 116 116 THR N N 15 125.767 0.3 . 1 . . . . . 116 THR N . 27811 1 417 . 1 1 117 117 LEU H H 1 9.631 0.020 . 1 . . . . . 117 LEU H . 27811 1 418 . 1 1 117 117 LEU CA C 13 53.581 0.3 . 1 . . . . . 117 LEU CA . 27811 1 419 . 1 1 117 117 LEU N N 15 128.322 0.3 . 1 . . . . . 117 LEU N . 27811 1 420 . 1 1 118 118 TRP H H 1 8.938 0.020 . 1 . . . . . 118 TRP H . 27811 1 421 . 1 1 118 118 TRP CA C 13 54.378 0.3 . 1 . . . . . 118 TRP CA . 27811 1 422 . 1 1 118 118 TRP CB C 13 31.278 0.3 . 1 . . . . . 118 TRP CB . 27811 1 423 . 1 1 118 118 TRP N N 15 121.625 0.3 . 1 . . . . . 118 TRP N . 27811 1 424 . 1 1 119 119 ASN H H 1 9.225 0.020 . 1 . . . . . 119 ASN H . 27811 1 425 . 1 1 119 119 ASN CA C 13 53.934 0.3 . 1 . . . . . 119 ASN CA . 27811 1 426 . 1 1 119 119 ASN CB C 13 35.870 0.3 . 1 . . . . . 119 ASN CB . 27811 1 427 . 1 1 119 119 ASN N N 15 128.204 0.3 . 1 . . . . . 119 ASN N . 27811 1 428 . 1 1 120 120 GLY H H 1 8.829 0.020 . 1 . . . . . 120 GLY H . 27811 1 429 . 1 1 120 120 GLY CA C 13 45.326 0.3 . 1 . . . . . 120 GLY CA . 27811 1 430 . 1 1 120 120 GLY N N 15 102.445 0.3 . 1 . . . . . 120 GLY N . 27811 1 431 . 1 1 121 121 GLN H H 1 7.634 0.020 . 1 . . . . . 121 GLN H . 27811 1 432 . 1 1 121 121 GLN CA C 13 51.649 0.3 . 1 . . . . . 121 GLN CA . 27811 1 433 . 1 1 121 121 GLN CB C 13 30.319 0.3 . 1 . . . . . 121 GLN CB . 27811 1 434 . 1 1 121 121 GLN N N 15 119.404 0.3 . 1 . . . . . 121 GLN N . 27811 1 435 . 1 1 123 123 ILE H H 1 9.313 0.020 . 1 . . . . . 123 ILE H . 27811 1 436 . 1 1 123 123 ILE CA C 13 60.983 0.3 . 1 . . . . . 123 ILE CA . 27811 1 437 . 1 1 123 123 ILE N N 15 116.287 0.3 . 1 . . . . . 123 ILE N . 27811 1 438 . 1 1 124 124 SER H H 1 7.453 0.020 . 1 . . . . . 124 SER H . 27811 1 439 . 1 1 124 124 SER CA C 13 58.223 0.3 . 1 . . . . . 124 SER CA . 27811 1 440 . 1 1 124 124 SER CB C 13 64.228 0.3 . 1 . . . . . 124 SER CB . 27811 1 441 . 1 1 124 124 SER N N 15 114.103 0.3 . 1 . . . . . 124 SER N . 27811 1 442 . 1 1 125 125 VAL H H 1 8.028 0.020 . 1 . . . . . 125 VAL H . 27811 1 443 . 1 1 125 125 VAL CA C 13 60.544 0.3 . 1 . . . . . 125 VAL CA . 27811 1 444 . 1 1 125 125 VAL CB C 13 35.517 0.3 . 1 . . . . . 125 VAL CB . 27811 1 445 . 1 1 125 125 VAL N N 15 121.181 0.3 . 1 . . . . . 125 VAL N . 27811 1 446 . 1 1 126 126 THR H H 1 9.229 0.020 . 1 . . . . . 126 THR H . 27811 1 447 . 1 1 126 126 THR CA C 13 58.896 0.3 . 1 . . . . . 126 THR CA . 27811 1 448 . 1 1 126 126 THR CB C 13 70.434 0.3 . 1 . . . . . 126 THR CB . 27811 1 449 . 1 1 126 126 THR N N 15 123.559 0.3 . 1 . . . . . 126 THR N . 27811 1 450 . 1 1 129 129 ASN H H 1 8.557 0.020 . 1 . . . . . 129 ASN H . 27811 1 451 . 1 1 129 129 ASN CA C 13 55.599 0.3 . 1 . . . . . 129 ASN CA . 27811 1 452 . 1 1 129 129 ASN CB C 13 38.292 0.3 . 1 . . . . . 129 ASN CB . 27811 1 453 . 1 1 129 129 ASN N N 15 120.243 0.3 . 1 . . . . . 129 ASN N . 27811 1 454 . 1 1 130 130 PHE H H 1 7.724 0.020 . 1 . . . . . 130 PHE H . 27811 1 455 . 1 1 130 130 PHE CA C 13 55.195 0.3 . 1 . . . . . 130 PHE CA . 27811 1 456 . 1 1 130 130 PHE CB C 13 41.925 0.3 . 1 . . . . . 130 PHE CB . 27811 1 457 . 1 1 130 130 PHE N N 15 112.201 0.3 . 1 . . . . . 130 PHE N . 27811 1 458 . 1 1 131 131 VAL H H 1 8.485 0.020 . 1 . . . . . 131 VAL H . 27811 1 459 . 1 1 131 131 VAL CA C 13 58.980 0.3 . 1 . . . . . 131 VAL CA . 27811 1 460 . 1 1 131 131 VAL CB C 13 35.718 0.3 . 1 . . . . . 131 VAL CB . 27811 1 461 . 1 1 131 131 VAL N N 15 114.373 0.3 . 1 . . . . . 131 VAL N . 27811 1 462 . 1 1 132 132 GLU H H 1 8.231 0.020 . 1 . . . . . 132 GLU H . 27811 1 463 . 1 1 132 132 GLU CA C 13 54.338 0.3 . 1 . . . . . 132 GLU CA . 27811 1 464 . 1 1 132 132 GLU CB C 13 29.714 0.3 . 1 . . . . . 132 GLU CB . 27811 1 465 . 1 1 132 132 GLU N N 15 122.230 0.3 . 1 . . . . . 132 GLU N . 27811 1 466 . 1 1 133 133 LEU H H 1 8.883 0.020 . 1 . . . . . 133 LEU H . 27811 1 467 . 1 1 133 133 LEU CA C 13 53.094 0.3 . 1 . . . . . 133 LEU CA . 27811 1 468 . 1 1 133 133 LEU CB C 13 49.393 0.3 . 1 . . . . . 133 LEU CB . 27811 1 469 . 1 1 133 133 LEU N N 15 122.586 0.3 . 1 . . . . . 133 LEU N . 27811 1 470 . 1 1 136 136 VAL H H 1 9.052 0.020 . 1 . . . . . 136 VAL H . 27811 1 471 . 1 1 136 136 VAL CA C 13 61.649 0.3 . 1 . . . . . 136 VAL CA . 27811 1 472 . 1 1 136 136 VAL N N 15 124.362 0.3 . 1 . . . . . 136 VAL N . 27811 1 473 . 1 1 137 137 ASP H H 1 7.532 0.020 . 1 . . . . . 137 ASP H . 27811 1 474 . 1 1 137 137 ASP CA C 13 55.448 0.3 . 1 . . . . . 137 ASP CA . 27811 1 475 . 1 1 137 137 ASP CB C 13 43.540 0.3 . 1 . . . . . 137 ASP CB . 27811 1 476 . 1 1 137 137 ASP N N 15 118.711 0.3 . 1 . . . . . 137 ASP N . 27811 1 477 . 1 1 138 138 THR H H 1 7.471 0.020 . 1 . . . . . 138 THR H . 27811 1 478 . 1 1 138 138 THR CA C 13 62.007 0.3 . 1 . . . . . 138 THR CA . 27811 1 479 . 1 1 138 138 THR CB C 13 68.062 0.3 . 1 . . . . . 138 THR CB . 27811 1 480 . 1 1 138 138 THR N N 15 118.092 0.3 . 1 . . . . . 138 THR N . 27811 1 481 . 1 1 139 139 ASP H H 1 8.410 0.020 . 1 . . . . . 139 ASP H . 27811 1 482 . 1 1 139 139 ASP CA C 13 52.818 0.3 . 1 . . . . . 139 ASP CA . 27811 1 483 . 1 1 139 139 ASP CB C 13 41.723 0.3 . 1 . . . . . 139 ASP CB . 27811 1 484 . 1 1 139 139 ASP N N 15 126.879 0.3 . 1 . . . . . 139 ASP N . 27811 1 485 . 1 1 141 141 GLY H H 1 8.547 0.020 . 1 . . . . . 141 GLY H . 27811 1 486 . 1 1 141 141 GLY CA C 13 45.503 0.3 . 1 . . . . . 141 GLY CA . 27811 1 487 . 1 1 141 141 GLY N N 15 107.317 0.3 . 1 . . . . . 141 GLY N . 27811 1 488 . 1 1 142 142 LEU H H 1 7.916 0.020 . 1 . . . . . 142 LEU H . 27811 1 489 . 1 1 142 142 LEU CA C 13 54.792 0.3 . 1 . . . . . 142 LEU CA . 27811 1 490 . 1 1 142 142 LEU CB C 13 42.429 0.3 . 1 . . . . . 142 LEU CB . 27811 1 491 . 1 1 142 142 LEU N N 15 121.635 0.3 . 1 . . . . . 142 LEU N . 27811 1 492 . 1 1 143 143 LYS H H 1 8.236 0.020 . 1 . . . . . 143 LYS H . 27811 1 493 . 1 1 143 143 LYS CA C 13 56.154 0.3 . 1 . . . . . 143 LYS CA . 27811 1 494 . 1 1 143 143 LYS CB C 13 32.893 0.3 . 1 . . . . . 143 LYS CB . 27811 1 495 . 1 1 143 143 LYS N N 15 120.841 0.3 . 1 . . . . . 143 LYS N . 27811 1 496 . 1 1 144 144 GLY H H 1 8.263 0.020 . 1 . . . . . 144 GLY H . 27811 1 497 . 1 1 144 144 GLY CA C 13 45.053 0.3 . 1 . . . . . 144 GLY CA . 27811 1 498 . 1 1 144 144 GLY N N 15 109.078 0.3 . 1 . . . . . 144 GLY N . 27811 1 499 . 1 1 145 145 ASP H H 1 8.269 0.020 . 1 . . . . . 145 ASP H . 27811 1 500 . 1 1 145 145 ASP CA C 13 54.085 0.3 . 1 . . . . . 145 ASP CA . 27811 1 501 . 1 1 145 145 ASP CB C 13 40.865 0.3 . 1 . . . . . 145 ASP CB . 27811 1 502 . 1 1 145 145 ASP N N 15 120.186 0.3 . 1 . . . . . 145 ASP N . 27811 1 503 . 1 1 146 146 THR H H 1 8.088 0.020 . 1 . . . . . 146 THR H . 27811 1 504 . 1 1 146 146 THR CA C 13 62.361 0.3 . 1 . . . . . 146 THR CA . 27811 1 505 . 1 1 146 146 THR CB C 13 69.172 0.3 . 1 . . . . . 146 THR CB . 27811 1 506 . 1 1 146 146 THR N N 15 114.095 0.3 . 1 . . . . . 146 THR N . 27811 1 507 . 1 1 147 147 ALA H H 1 8.265 0.020 . 1 . . . . . 147 ALA H . 27811 1 508 . 1 1 147 147 ALA CA C 13 52.622 0.3 . 1 . . . . . 147 ALA CA . 27811 1 509 . 1 1 147 147 ALA CB C 13 19.017 0.3 . 1 . . . . . 147 ALA CB . 27811 1 510 . 1 1 147 147 ALA N N 15 125.140 0.3 . 1 . . . . . 147 ALA N . 27811 1 511 . 1 1 148 148 GLY H H 1 8.213 0.020 . 1 . . . . . 148 GLY H . 27811 1 512 . 1 1 148 148 GLY CA C 13 45.558 0.3 . 1 . . . . . 148 GLY CA . 27811 1 513 . 1 1 148 148 GLY N N 15 107.728 0.3 . 1 . . . . . 148 GLY N . 27811 1 514 . 1 1 149 149 THR H H 1 8.135 0.020 . 1 . . . . . 149 THR H . 27811 1 515 . 1 1 149 149 THR CA C 13 61.856 0.3 . 1 . . . . . 149 THR CA . 27811 1 516 . 1 1 149 149 THR CB C 13 69.627 0.3 . 1 . . . . . 149 THR CB . 27811 1 517 . 1 1 149 149 THR N N 15 112.153 0.3 . 1 . . . . . 149 THR N . 27811 1 518 . 1 1 150 150 GLY H H 1 8.616 0.020 . 1 . . . . . 150 GLY H . 27811 1 519 . 1 1 150 150 GLY CA C 13 45.205 0.3 . 1 . . . . . 150 GLY CA . 27811 1 520 . 1 1 150 150 GLY N N 15 111.069 0.3 . 1 . . . . . 150 GLY N . 27811 1 521 . 1 1 151 151 GLY H H 1 7.862 0.020 . 1 . . . . . 151 GLY H . 27811 1 522 . 1 1 151 151 GLY CA C 13 44.801 0.3 . 1 . . . . . 151 GLY CA . 27811 1 523 . 1 1 151 151 GLY N N 15 107.483 0.3 . 1 . . . . . 151 GLY N . 27811 1 524 . 1 1 152 152 LYS H H 1 9.197 0.020 . 1 . . . . . 152 LYS H . 27811 1 525 . 1 1 152 152 LYS CA C 13 52.269 0.3 . 1 . . . . . 152 LYS CA . 27811 1 526 . 1 1 152 152 LYS CB C 13 33.549 0.3 . 1 . . . . . 152 LYS CB . 27811 1 527 . 1 1 152 152 LYS N N 15 118.452 0.3 . 1 . . . . . 152 LYS N . 27811 1 528 . 1 1 154 154 ALA H H 1 8.977 0.020 . 1 . . . . . 154 ALA H . 27811 1 529 . 1 1 154 154 ALA CA C 13 50.823 0.3 . 1 . . . . . 154 ALA CA . 27811 1 530 . 1 1 154 154 ALA CB C 13 22.347 0.3 . 1 . . . . . 154 ALA CB . 27811 1 531 . 1 1 154 154 ALA N N 15 126.040 0.3 . 1 . . . . . 154 ALA N . 27811 1 532 . 1 1 155 155 THR H H 1 9.079 0.020 . 1 . . . . . 155 THR H . 27811 1 533 . 1 1 155 155 THR CA C 13 62.108 0.3 . 1 . . . . . 155 THR CA . 27811 1 534 . 1 1 155 155 THR CB C 13 69.223 0.3 . 1 . . . . . 155 THR CB . 27811 1 535 . 1 1 155 155 THR N N 15 118.335 0.3 . 1 . . . . . 155 THR N . 27811 1 536 . 1 1 156 156 LEU H H 1 9.374 0.020 . 1 . . . . . 156 LEU H . 27811 1 537 . 1 1 156 156 LEU CA C 13 53.002 0.3 . 1 . . . . . 156 LEU CA . 27811 1 538 . 1 1 156 156 LEU N N 15 126.587 0.3 . 1 . . . . . 156 LEU N . 27811 1 539 . 1 1 158 158 THR H H 1 6.663 0.020 . 1 . . . . . 158 THR H . 27811 1 540 . 1 1 158 158 THR CA C 13 61.419 0.3 . 1 . . . . . 158 THR CA . 27811 1 541 . 1 1 158 158 THR CB C 13 70.383 0.3 . 1 . . . . . 158 THR CB . 27811 1 542 . 1 1 158 158 THR N N 15 106.890 0.3 . 1 . . . . . 158 THR N . 27811 1 543 . 1 1 159 159 GLY H H 1 8.241 0.020 . 1 . . . . . 159 GLY H . 27811 1 544 . 1 1 159 159 GLY CA C 13 44.095 0.3 . 1 . . . . . 159 GLY CA . 27811 1 545 . 1 1 159 159 GLY N N 15 109.637 0.3 . 1 . . . . . 159 GLY N . 27811 1 546 . 1 1 160 160 ALA H H 1 6.794 0.020 . 1 . . . . . 160 ALA H . 27811 1 547 . 1 1 160 160 ALA CA C 13 52.218 0.3 . 1 . . . . . 160 ALA CA . 27811 1 548 . 1 1 160 160 ALA CB C 13 19.572 0.3 . 1 . . . . . 160 ALA CB . 27811 1 549 . 1 1 160 160 ALA N N 15 120.841 0.3 . 1 . . . . . 160 ALA N . 27811 1 550 . 1 1 161 161 VAL H H 1 8.205 0.020 . 1 . . . . . 161 VAL H . 27811 1 551 . 1 1 161 161 VAL CA C 13 61.200 0.3 . 1 . . . . . 161 VAL CA . 27811 1 552 . 1 1 161 161 VAL CB C 13 32.842 0.3 . 1 . . . . . 161 VAL CB . 27811 1 553 . 1 1 161 161 VAL N N 15 121.780 0.3 . 1 . . . . . 161 VAL N . 27811 1 554 . 1 1 162 162 VAL H H 1 8.868 0.020 . 1 . . . . . 162 VAL H . 27811 1 555 . 1 1 162 162 VAL CA C 13 58.929 0.3 . 1 . . . . . 162 VAL CA . 27811 1 556 . 1 1 162 162 VAL CB C 13 36.475 0.3 . 1 . . . . . 162 VAL CB . 27811 1 557 . 1 1 162 162 VAL N N 15 123.644 0.3 . 1 . . . . . 162 VAL N . 27811 1 558 . 1 1 163 163 LYS H H 1 8.290 0.020 . 1 . . . . . 163 LYS H . 27811 1 559 . 1 1 163 163 LYS CA C 13 55.498 0.3 . 1 . . . . . 163 LYS CA . 27811 1 560 . 1 1 163 163 LYS CB C 13 32.085 0.3 . 1 . . . . . 163 LYS CB . 27811 1 561 . 1 1 163 163 LYS N N 15 123.275 0.3 . 1 . . . . . 163 LYS N . 27811 1 562 . 1 1 164 164 VAL H H 1 8.679 0.020 . 1 . . . . . 164 VAL H . 27811 1 563 . 1 1 164 164 VAL CA C 13 61.626 0.3 . 1 . . . . . 164 VAL CA . 27811 1 564 . 1 1 164 164 VAL CB C 13 32.089 0.3 . 1 . . . . . 164 VAL CB . 27811 1 565 . 1 1 164 164 VAL N N 15 123.614 0.3 . 1 . . . . . 164 VAL N . 27811 1 566 . 1 1 166 166 LEU H H 1 8.098 0.020 . 1 . . . . . 166 LEU H . 27811 1 567 . 1 1 166 166 LEU CA C 13 57.870 0.3 . 1 . . . . . 166 LEU CA . 27811 1 568 . 1 1 166 166 LEU CB C 13 41.319 0.3 . 1 . . . . . 166 LEU CB . 27811 1 569 . 1 1 166 166 LEU N N 15 115.953 0.3 . 1 . . . . . 166 LEU N . 27811 1 570 . 1 1 167 167 PHE H H 1 6.364 0.020 . 1 . . . . . 167 PHE H . 27811 1 571 . 1 1 167 167 PHE CA C 13 55.952 0.3 . 1 . . . . . 167 PHE CA . 27811 1 572 . 1 1 167 167 PHE CB C 13 37.838 0.3 . 1 . . . . . 167 PHE CB . 27811 1 573 . 1 1 167 167 PHE N N 15 108.441 0.3 . 1 . . . . . 167 PHE N . 27811 1 574 . 1 1 168 168 VAL H H 1 6.848 0.020 . 1 . . . . . 168 VAL H . 27811 1 575 . 1 1 168 168 VAL CA C 13 63.319 0.3 . 1 . . . . . 168 VAL CA . 27811 1 576 . 1 1 168 168 VAL CB C 13 31.026 0.3 . 1 . . . . . 168 VAL CB . 27811 1 577 . 1 1 168 168 VAL N N 15 124.329 0.3 . 1 . . . . . 168 VAL N . 27811 1 578 . 1 1 171 171 GLY H H 1 8.609 0.020 . 1 . . . . . 171 GLY H . 27811 1 579 . 1 1 171 171 GLY CA C 13 44.448 0.3 . 1 . . . . . 171 GLY CA . 27811 1 580 . 1 1 171 171 GLY N N 15 115.480 0.3 . 1 . . . . . 171 GLY N . 27811 1 581 . 1 1 172 172 GLU H H 1 7.569 0.020 . 1 . . . . . 172 GLU H . 27811 1 582 . 1 1 172 172 GLU CA C 13 57.113 0.3 . 1 . . . . . 172 GLU CA . 27811 1 583 . 1 1 172 172 GLU CB C 13 30.067 0.3 . 1 . . . . . 172 GLU CB . 27811 1 584 . 1 1 172 172 GLU N N 15 119.452 0.3 . 1 . . . . . 172 GLU N . 27811 1 585 . 1 1 173 173 VAL H H 1 8.751 0.020 . 1 . . . . . 173 VAL H . 27811 1 586 . 1 1 173 173 VAL CA C 13 61.465 0.3 . 1 . . . . . 173 VAL CA . 27811 1 587 . 1 1 173 173 VAL CB C 13 32.590 0.3 . 1 . . . . . 173 VAL CB . 27811 1 588 . 1 1 173 173 VAL N N 15 121.953 0.3 . 1 . . . . . 173 VAL N . 27811 1 589 . 1 1 174 174 ILE H H 1 8.813 0.020 . 1 . . . . . 174 ILE H . 27811 1 590 . 1 1 174 174 ILE CA C 13 58.526 0.3 . 1 . . . . . 174 ILE CA . 27811 1 591 . 1 1 174 174 ILE CB C 13 41.420 0.3 . 1 . . . . . 174 ILE CB . 27811 1 592 . 1 1 174 174 ILE N N 15 119.010 0.3 . 1 . . . . . 174 ILE N . 27811 1 593 . 1 1 175 175 LYS H H 1 8.976 0.020 . 1 . . . . . 175 LYS H . 27811 1 594 . 1 1 175 175 LYS CA C 13 54.768 0.3 . 1 . . . . . 175 LYS CA . 27811 1 595 . 1 1 175 175 LYS N N 15 123.419 0.3 . 1 . . . . . 175 LYS N . 27811 1 596 . 1 1 176 176 VAL H H 1 9.181 0.020 . 1 . . . . . 176 VAL H . 27811 1 597 . 1 1 176 176 VAL CA C 13 60.090 0.3 . 1 . . . . . 176 VAL CA . 27811 1 598 . 1 1 176 176 VAL N N 15 126.893 0.3 . 1 . . . . . 176 VAL N . 27811 1 599 . 1 1 178 178 THR H H 1 8.620 0.020 . 1 . . . . . 178 THR H . 27811 1 600 . 1 1 178 178 THR CA C 13 63.269 0.3 . 1 . . . . . 178 THR CA . 27811 1 601 . 1 1 178 178 THR CB C 13 67.861 0.3 . 1 . . . . . 178 THR CB . 27811 1 602 . 1 1 178 178 THR N N 15 118.474 0.3 . 1 . . . . . 178 THR N . 27811 1 603 . 1 1 179 179 ARG H H 1 8.663 0.020 . 1 . . . . . 179 ARG H . 27811 1 604 . 1 1 179 179 ARG CA C 13 57.773 0.3 . 1 . . . . . 179 ARG CA . 27811 1 605 . 1 1 179 179 ARG N N 15 122.422 0.3 . 1 . . . . . 179 ARG N . 27811 1 606 . 1 1 180 180 SER H H 1 7.052 0.020 . 1 . . . . . 180 SER H . 27811 1 607 . 1 1 180 180 SER CA C 13 56.786 0.3 . 1 . . . . . 180 SER CA . 27811 1 608 . 1 1 180 180 SER CB C 13 64.833 0.3 . 1 . . . . . 180 SER CB . 27811 1 609 . 1 1 180 180 SER N N 15 109.184 0.3 . 1 . . . . . 180 SER N . 27811 1 610 . 1 1 181 181 GLY H H 1 8.432 0.020 . 1 . . . . . 181 GLY H . 27811 1 611 . 1 1 181 181 GLY CA C 13 46.567 0.3 . 1 . . . . . 181 GLY CA . 27811 1 612 . 1 1 181 181 GLY N N 15 113.954 0.3 . 1 . . . . . 181 GLY N . 27811 1 613 . 1 1 182 182 GLU H H 1 7.268 0.020 . 1 . . . . . 182 GLU H . 27811 1 614 . 1 1 182 182 GLU CA C 13 54.994 0.3 . 1 . . . . . 182 GLU CA . 27811 1 615 . 1 1 182 182 GLU CB C 13 32.691 0.3 . 1 . . . . . 182 GLU CB . 27811 1 616 . 1 1 182 182 GLU N N 15 115.867 0.3 . 1 . . . . . 182 GLU N . 27811 1 617 . 1 1 183 183 TYR H H 1 8.908 0.020 . 1 . . . . . 183 TYR H . 27811 1 618 . 1 1 183 183 TYR CA C 13 59.722 0.3 . 1 . . . . . 183 TYR CA . 27811 1 619 . 1 1 183 183 TYR CB C 13 40.159 0.3 . 1 . . . . . 183 TYR CB . 27811 1 620 . 1 1 183 183 TYR N N 15 122.254 0.3 . 1 . . . . . 183 TYR N . 27811 1 621 . 1 1 184 184 VAL H H 1 8.563 0.020 . 1 . . . . . 184 VAL H . 27811 1 622 . 1 1 184 184 VAL CA C 13 63.415 0.3 . 1 . . . . . 184 VAL CA . 27811 1 623 . 1 1 184 184 VAL N N 15 126.916 0.3 . 1 . . . . . 184 VAL N . 27811 1 624 . 1 1 186 186 ARG H H 1 8.518 0.020 . 1 . . . . . 186 ARG H . 27811 1 625 . 1 1 186 186 ARG CA C 13 56.608 0.3 . 1 . . . . . 186 ARG CA . 27811 1 626 . 1 1 186 186 ARG CB C 13 31.783 0.3 . 1 . . . . . 186 ARG CB . 27811 1 627 . 1 1 186 186 ARG N N 15 120.762 0.3 . 1 . . . . . 186 ARG N . 27811 1 628 . 1 1 187 187 VAL H H 1 8.739 0.020 . 1 . . . . . 187 VAL H . 27811 1 629 . 1 1 187 187 VAL CA C 13 63.300 0.3 . 1 . . . . . 187 VAL CA . 27811 1 630 . 1 1 187 187 VAL CB C 13 32.035 0.3 . 1 . . . . . 187 VAL CB . 27811 1 631 . 1 1 187 187 VAL N N 15 124.927 0.3 . 1 . . . . . 187 VAL N . 27811 1 632 . 1 1 188 188 LYS H H 1 7.920 0.020 . 1 . . . . . 188 LYS H . 27811 1 633 . 1 1 188 188 LYS CA C 13 57.520 0.3 . 1 . . . . . 188 LYS CA . 27811 1 634 . 1 1 188 188 LYS CB C 13 33.650 0.3 . 1 . . . . . 188 LYS CB . 27811 1 635 . 1 1 188 188 LYS N N 15 128.026 0.3 . 1 . . . . . 188 LYS N . 27811 1 stop_ save_