data_51197 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51197 _Entry.Title ; 1H, 15N Backbone Assignments of Rec3 from GeoCas9 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-11-29 _Entry.Accession_date 2021-11-29 _Entry.Last_release_date 2021-11-29 _Entry.Original_release_date 2021-11-29 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _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 Helen Belato . B. . . 51197 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51197 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 323 51197 '15N chemical shifts' 122 51197 '1H chemical shifts' 122 51197 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 . . 2024-07-22 . original BMRB . 51197 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51197 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38746279 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Atomistic Tuning of the GeoCas9 Recognition Lobe Modulates Allosteric Motions and Guide RNA Interactions ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev bioRxiv _Citation.Journal_name_full . _Citation.Journal_volume . _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 . _Citation.Page_last . _Citation.Year 2024 _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 Helen Belato H. B. . . 51197 1 2 Alexa Knight A. L. . . 51197 1 3 Alexandra D'Ordine A. M. . . 51197 1 4 Zhiqiang Fan Z. . . . 51197 1 5 Jinping Luo J. . . . 51197 1 6 Gerwald Jogl G. . . . 51197 1 7 George Lisi G. P. . . 51197 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51197 _Assembly.ID 1 _Assembly.Name 'Rec3 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 Rec3 1 $entity_1 . . yes native no no . . . 51197 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51197 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KEKRAPKATYTFQSFIAWEH INKLRLISPSGARGLTDEER RLLYEQAFQKNKITYHDIRT LLHLPDDTYFKGIVYDRGES RKQNENIRFLELDAYHQIRK AVDKVYGKGKSSSFLPIDFD TFGYALTLFKDDADIHSYLR NEYEQNGKRMPNLANKVYDN ELIEELLNLSFTKFGHLSLK ALRSILPYMEQGEVYSSACE RAGYTFTGPKKK ; _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 212 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . LYS . 51197 1 2 . GLU . 51197 1 3 . LYS . 51197 1 4 . ARG . 51197 1 5 . ALA . 51197 1 6 . PRO . 51197 1 7 . LYS . 51197 1 8 . ALA . 51197 1 9 . THR . 51197 1 10 . TYR . 51197 1 11 . THR . 51197 1 12 . PHE . 51197 1 13 . GLN . 51197 1 14 . SER . 51197 1 15 . PHE . 51197 1 16 . ILE . 51197 1 17 . ALA . 51197 1 18 . TRP . 51197 1 19 . GLU . 51197 1 20 . HIS . 51197 1 21 . ILE . 51197 1 22 . ASN . 51197 1 23 . LYS . 51197 1 24 . LEU . 51197 1 25 . ARG . 51197 1 26 . LEU . 51197 1 27 . ILE . 51197 1 28 . SER . 51197 1 29 . PRO . 51197 1 30 . SER . 51197 1 31 . GLY . 51197 1 32 . ALA . 51197 1 33 . ARG . 51197 1 34 . GLY . 51197 1 35 . LEU . 51197 1 36 . THR . 51197 1 37 . ASP . 51197 1 38 . GLU . 51197 1 39 . GLU . 51197 1 40 . ARG . 51197 1 41 . ARG . 51197 1 42 . LEU . 51197 1 43 . LEU . 51197 1 44 . TYR . 51197 1 45 . GLU . 51197 1 46 . GLN . 51197 1 47 . ALA . 51197 1 48 . PHE . 51197 1 49 . GLN . 51197 1 50 . LYS . 51197 1 51 . ASN . 51197 1 52 . LYS . 51197 1 53 . ILE . 51197 1 54 . THR . 51197 1 55 . TYR . 51197 1 56 . HIS . 51197 1 57 . ASP . 51197 1 58 . ILE . 51197 1 59 . ARG . 51197 1 60 . THR . 51197 1 61 . LEU . 51197 1 62 . LEU . 51197 1 63 . HIS . 51197 1 64 . LEU . 51197 1 65 . PRO . 51197 1 66 . ASP . 51197 1 67 . ASP . 51197 1 68 . THR . 51197 1 69 . TYR . 51197 1 70 . PHE . 51197 1 71 . LYS . 51197 1 72 . GLY . 51197 1 73 . ILE . 51197 1 74 . VAL . 51197 1 75 . TYR . 51197 1 76 . ASP . 51197 1 77 . ARG . 51197 1 78 . GLY . 51197 1 79 . GLU . 51197 1 80 . SER . 51197 1 81 . ARG . 51197 1 82 . LYS . 51197 1 83 . GLN . 51197 1 84 . ASN . 51197 1 85 . GLU . 51197 1 86 . ASN . 51197 1 87 . ILE . 51197 1 88 . ARG . 51197 1 89 . PHE . 51197 1 90 . LEU . 51197 1 91 . GLU . 51197 1 92 . LEU . 51197 1 93 . ASP . 51197 1 94 . ALA . 51197 1 95 . TYR . 51197 1 96 . HIS . 51197 1 97 . GLN . 51197 1 98 . ILE . 51197 1 99 . ARG . 51197 1 100 . LYS . 51197 1 101 . ALA . 51197 1 102 . VAL . 51197 1 103 . ASP . 51197 1 104 . LYS . 51197 1 105 . VAL . 51197 1 106 . TYR . 51197 1 107 . GLY . 51197 1 108 . LYS . 51197 1 109 . GLY . 51197 1 110 . LYS . 51197 1 111 . SER . 51197 1 112 . SER . 51197 1 113 . SER . 51197 1 114 . PHE . 51197 1 115 . LEU . 51197 1 116 . PRO . 51197 1 117 . ILE . 51197 1 118 . ASP . 51197 1 119 . PHE . 51197 1 120 . ASP . 51197 1 121 . THR . 51197 1 122 . PHE . 51197 1 123 . GLY . 51197 1 124 . TYR . 51197 1 125 . ALA . 51197 1 126 . LEU . 51197 1 127 . THR . 51197 1 128 . LEU . 51197 1 129 . PHE . 51197 1 130 . LYS . 51197 1 131 . ASP . 51197 1 132 . ASP . 51197 1 133 . ALA . 51197 1 134 . ASP . 51197 1 135 . ILE . 51197 1 136 . HIS . 51197 1 137 . SER . 51197 1 138 . TYR . 51197 1 139 . LEU . 51197 1 140 . ARG . 51197 1 141 . ASN . 51197 1 142 . GLU . 51197 1 143 . TYR . 51197 1 144 . GLU . 51197 1 145 . GLN . 51197 1 146 . ASN . 51197 1 147 . GLY . 51197 1 148 . LYS . 51197 1 149 . ARG . 51197 1 150 . MET . 51197 1 151 . PRO . 51197 1 152 . ASN . 51197 1 153 . LEU . 51197 1 154 . ALA . 51197 1 155 . ASN . 51197 1 156 . LYS . 51197 1 157 . VAL . 51197 1 158 . TYR . 51197 1 159 . ASP . 51197 1 160 . ASN . 51197 1 161 . GLU . 51197 1 162 . LEU . 51197 1 163 . ILE . 51197 1 164 . GLU . 51197 1 165 . GLU . 51197 1 166 . LEU . 51197 1 167 . LEU . 51197 1 168 . ASN . 51197 1 169 . LEU . 51197 1 170 . SER . 51197 1 171 . PHE . 51197 1 172 . THR . 51197 1 173 . LYS . 51197 1 174 . PHE . 51197 1 175 . GLY . 51197 1 176 . HIS . 51197 1 177 . LEU . 51197 1 178 . SER . 51197 1 179 . LEU . 51197 1 180 . LYS . 51197 1 181 . ALA . 51197 1 182 . LEU . 51197 1 183 . ARG . 51197 1 184 . SER . 51197 1 185 . ILE . 51197 1 186 . LEU . 51197 1 187 . PRO . 51197 1 188 . TYR . 51197 1 189 . MET . 51197 1 190 . GLU . 51197 1 191 . GLN . 51197 1 192 . GLY . 51197 1 193 . GLU . 51197 1 194 . VAL . 51197 1 195 . TYR . 51197 1 196 . SER . 51197 1 197 . SER . 51197 1 198 . ALA . 51197 1 199 . CYS . 51197 1 200 . GLU . 51197 1 201 . ARG . 51197 1 202 . ALA . 51197 1 203 . GLY . 51197 1 204 . TYR . 51197 1 205 . THR . 51197 1 206 . PHE . 51197 1 207 . THR . 51197 1 208 . GLY . 51197 1 209 . PRO . 51197 1 210 . LYS . 51197 1 211 . LYS . 51197 1 212 . LYS . 51197 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 . LYS 1 1 51197 1 . GLU 2 2 51197 1 . LYS 3 3 51197 1 . ARG 4 4 51197 1 . ALA 5 5 51197 1 . PRO 6 6 51197 1 . LYS 7 7 51197 1 . ALA 8 8 51197 1 . THR 9 9 51197 1 . TYR 10 10 51197 1 . THR 11 11 51197 1 . PHE 12 12 51197 1 . GLN 13 13 51197 1 . SER 14 14 51197 1 . PHE 15 15 51197 1 . ILE 16 16 51197 1 . ALA 17 17 51197 1 . TRP 18 18 51197 1 . GLU 19 19 51197 1 . HIS 20 20 51197 1 . ILE 21 21 51197 1 . ASN 22 22 51197 1 . LYS 23 23 51197 1 . LEU 24 24 51197 1 . ARG 25 25 51197 1 . LEU 26 26 51197 1 . ILE 27 27 51197 1 . SER 28 28 51197 1 . PRO 29 29 51197 1 . SER 30 30 51197 1 . GLY 31 31 51197 1 . ALA 32 32 51197 1 . ARG 33 33 51197 1 . GLY 34 34 51197 1 . LEU 35 35 51197 1 . THR 36 36 51197 1 . ASP 37 37 51197 1 . GLU 38 38 51197 1 . GLU 39 39 51197 1 . ARG 40 40 51197 1 . ARG 41 41 51197 1 . LEU 42 42 51197 1 . LEU 43 43 51197 1 . TYR 44 44 51197 1 . GLU 45 45 51197 1 . GLN 46 46 51197 1 . ALA 47 47 51197 1 . PHE 48 48 51197 1 . GLN 49 49 51197 1 . LYS 50 50 51197 1 . ASN 51 51 51197 1 . LYS 52 52 51197 1 . ILE 53 53 51197 1 . THR 54 54 51197 1 . TYR 55 55 51197 1 . HIS 56 56 51197 1 . ASP 57 57 51197 1 . ILE 58 58 51197 1 . ARG 59 59 51197 1 . THR 60 60 51197 1 . LEU 61 61 51197 1 . LEU 62 62 51197 1 . HIS 63 63 51197 1 . LEU 64 64 51197 1 . PRO 65 65 51197 1 . ASP 66 66 51197 1 . ASP 67 67 51197 1 . THR 68 68 51197 1 . TYR 69 69 51197 1 . PHE 70 70 51197 1 . LYS 71 71 51197 1 . GLY 72 72 51197 1 . ILE 73 73 51197 1 . VAL 74 74 51197 1 . TYR 75 75 51197 1 . ASP 76 76 51197 1 . ARG 77 77 51197 1 . GLY 78 78 51197 1 . GLU 79 79 51197 1 . SER 80 80 51197 1 . ARG 81 81 51197 1 . LYS 82 82 51197 1 . GLN 83 83 51197 1 . ASN 84 84 51197 1 . GLU 85 85 51197 1 . ASN 86 86 51197 1 . ILE 87 87 51197 1 . ARG 88 88 51197 1 . PHE 89 89 51197 1 . LEU 90 90 51197 1 . GLU 91 91 51197 1 . LEU 92 92 51197 1 . ASP 93 93 51197 1 . ALA 94 94 51197 1 . TYR 95 95 51197 1 . HIS 96 96 51197 1 . GLN 97 97 51197 1 . ILE 98 98 51197 1 . ARG 99 99 51197 1 . LYS 100 100 51197 1 . ALA 101 101 51197 1 . VAL 102 102 51197 1 . ASP 103 103 51197 1 . LYS 104 104 51197 1 . VAL 105 105 51197 1 . TYR 106 106 51197 1 . GLY 107 107 51197 1 . LYS 108 108 51197 1 . GLY 109 109 51197 1 . LYS 110 110 51197 1 . SER 111 111 51197 1 . SER 112 112 51197 1 . SER 113 113 51197 1 . PHE 114 114 51197 1 . LEU 115 115 51197 1 . PRO 116 116 51197 1 . ILE 117 117 51197 1 . ASP 118 118 51197 1 . PHE 119 119 51197 1 . ASP 120 120 51197 1 . THR 121 121 51197 1 . PHE 122 122 51197 1 . GLY 123 123 51197 1 . TYR 124 124 51197 1 . ALA 125 125 51197 1 . LEU 126 126 51197 1 . THR 127 127 51197 1 . LEU 128 128 51197 1 . PHE 129 129 51197 1 . LYS 130 130 51197 1 . ASP 131 131 51197 1 . ASP 132 132 51197 1 . ALA 133 133 51197 1 . ASP 134 134 51197 1 . ILE 135 135 51197 1 . HIS 136 136 51197 1 . SER 137 137 51197 1 . TYR 138 138 51197 1 . LEU 139 139 51197 1 . ARG 140 140 51197 1 . ASN 141 141 51197 1 . GLU 142 142 51197 1 . TYR 143 143 51197 1 . GLU 144 144 51197 1 . GLN 145 145 51197 1 . ASN 146 146 51197 1 . GLY 147 147 51197 1 . LYS 148 148 51197 1 . ARG 149 149 51197 1 . MET 150 150 51197 1 . PRO 151 151 51197 1 . ASN 152 152 51197 1 . LEU 153 153 51197 1 . ALA 154 154 51197 1 . ASN 155 155 51197 1 . LYS 156 156 51197 1 . VAL 157 157 51197 1 . TYR 158 158 51197 1 . ASP 159 159 51197 1 . ASN 160 160 51197 1 . GLU 161 161 51197 1 . LEU 162 162 51197 1 . ILE 163 163 51197 1 . GLU 164 164 51197 1 . GLU 165 165 51197 1 . LEU 166 166 51197 1 . LEU 167 167 51197 1 . ASN 168 168 51197 1 . LEU 169 169 51197 1 . SER 170 170 51197 1 . PHE 171 171 51197 1 . THR 172 172 51197 1 . LYS 173 173 51197 1 . PHE 174 174 51197 1 . GLY 175 175 51197 1 . HIS 176 176 51197 1 . LEU 177 177 51197 1 . SER 178 178 51197 1 . LEU 179 179 51197 1 . LYS 180 180 51197 1 . ALA 181 181 51197 1 . LEU 182 182 51197 1 . ARG 183 183 51197 1 . SER 184 184 51197 1 . ILE 185 185 51197 1 . LEU 186 186 51197 1 . PRO 187 187 51197 1 . TYR 188 188 51197 1 . MET 189 189 51197 1 . GLU 190 190 51197 1 . GLN 191 191 51197 1 . GLY 192 192 51197 1 . GLU 193 193 51197 1 . VAL 194 194 51197 1 . TYR 195 195 51197 1 . SER 196 196 51197 1 . SER 197 197 51197 1 . ALA 198 198 51197 1 . CYS 199 199 51197 1 . GLU 200 200 51197 1 . ARG 201 201 51197 1 . ALA 202 202 51197 1 . GLY 203 203 51197 1 . TYR 204 204 51197 1 . THR 205 205 51197 1 . PHE 206 206 51197 1 . THR 207 207 51197 1 . GLY 208 208 51197 1 . PRO 209 209 51197 1 . LYS 210 210 51197 1 . LYS 211 211 51197 1 . LYS 212 212 51197 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51197 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 1422 organism . 'Geobacillus stearothermophilus' 'Geobacillus stearothermophilus' . . Bacteria . Geobacillus stearothermophilus . . . . . . . . . . . . . 51197 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51197 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET28a . . . 51197 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51197 _Sample.ID 1 _Sample.Name '1H 13C 15N GeoRec3' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 Rec3 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 500 . . uM . . . . 51197 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51197 1 3 'potassium chloride' 'natural abundance' . . . . . . 80 . . mM . . . . 51197 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 51197 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 51197 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 51197 _Sample_condition_list.ID 1 _Sample_condition_list.Name standard _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 . pH 51197 1 pressure 1 . atm 51197 1 temperature 298 . K 51197 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51197 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51197 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51197 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51197 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker 850' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51197 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51197 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51197 1 3 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51197 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51197 1 5 '3D HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51197 1 6 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51197 1 7 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51197 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51197 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'GeoRec3 Backbone Assignments' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 na indirect . . . . . . 51197 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 51197 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect . . . . . . 51197 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51197 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name GeoRec3.str _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51197 1 2 '3D HNCA' . . . 51197 1 3 '3D HN(CO)CA' . . . 51197 1 4 '3D HNCACB' . . . 51197 1 5 '3D HN(CO)CACB' . . . 51197 1 6 '3D HN(CA)CO' . . . 51197 1 7 '3D HNCO' . . . 51197 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51197 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 LYS H H 1 7.867 0.020 . 1 . . . . . 3 LYS H . 51197 1 2 . 1 . 1 3 3 LYS C C 13 178.875 0.3 . 1 . . . . . 3 LYS C . 51197 1 3 . 1 . 1 3 3 LYS CA C 13 60.761 0.3 . 1 . . . . . 3 LYS CA . 51197 1 4 . 1 . 1 3 3 LYS N N 15 116.700 0.3 . 1 . . . . . 3 LYS N . 51197 1 5 . 1 . 1 4 4 ARG H H 1 8.530 0.020 . 1 . . . . . 4 ARG H . 51197 1 6 . 1 . 1 4 4 ARG C C 13 178.992 0.3 . 1 . . . . . 4 ARG C . 51197 1 7 . 1 . 1 4 4 ARG CA C 13 59.598 0.3 . 1 . . . . . 4 ARG CA . 51197 1 8 . 1 . 1 4 4 ARG CB C 13 28.617 0.3 . 1 . . . . . 4 ARG CB . 51197 1 9 . 1 . 1 4 4 ARG N N 15 121.050 0.3 . 1 . . . . . 4 ARG N . 51197 1 10 . 1 . 1 5 5 ALA H H 1 7.945 0.020 . 1 . . . . . 5 ALA H . 51197 1 11 . 1 . 1 5 5 ALA C C 13 172.948 0.3 . 1 . . . . . 5 ALA C . 51197 1 12 . 1 . 1 5 5 ALA CA C 13 54.441 0.3 . 1 . . . . . 5 ALA CA . 51197 1 13 . 1 . 1 5 5 ALA CB C 13 17.544 0.3 . 1 . . . . . 5 ALA CB . 51197 1 14 . 1 . 1 5 5 ALA N N 15 123.566 0.3 . 1 . . . . . 5 ALA N . 51197 1 15 . 1 . 1 12 12 PHE H H 1 7.664 0.020 . 1 . . . . . 12 PHE H . 51197 1 16 . 1 . 1 12 12 PHE C C 13 176.469 0.3 . 1 . . . . . 12 PHE C . 51197 1 17 . 1 . 1 12 12 PHE CA C 13 62.680 0.3 . 1 . . . . . 12 PHE CA . 51197 1 18 . 1 . 1 12 12 PHE CB C 13 38.434 0.3 . 1 . . . . . 12 PHE CB . 51197 1 19 . 1 . 1 12 12 PHE N N 15 119.345 0.3 . 1 . . . . . 12 PHE N . 51197 1 20 . 1 . 1 13 13 GLN H H 1 7.553 0.020 . 1 . . . . . 13 GLN H . 51197 1 21 . 1 . 1 13 13 GLN C C 13 176.317 0.3 . 1 . . . . . 13 GLN C . 51197 1 22 . 1 . 1 13 13 GLN CA C 13 59.095 0.3 . 1 . . . . . 13 GLN CA . 51197 1 23 . 1 . 1 13 13 GLN CB C 13 28.068 0.3 . 1 . . . . . 13 GLN CB . 51197 1 24 . 1 . 1 13 13 GLN N N 15 118.250 0.3 . 1 . . . . . 13 GLN N . 51197 1 25 . 1 . 1 14 14 SER H H 1 8.870 0.020 . 1 . . . . . 14 SER H . 51197 1 26 . 1 . 1 14 14 SER CA C 13 61.170 0.3 . 1 . . . . . 14 SER CA . 51197 1 27 . 1 . 1 14 14 SER CB C 13 62.859 0.3 . 1 . . . . . 14 SER CB . 51197 1 28 . 1 . 1 14 14 SER N N 15 114.815 0.3 . 1 . . . . . 14 SER N . 51197 1 29 . 1 . 1 15 15 PHE H H 1 7.374 0.020 . 1 . . . . . 15 PHE H . 51197 1 30 . 1 . 1 15 15 PHE CA C 13 60.950 0.3 . 1 . . . . . 15 PHE CA . 51197 1 31 . 1 . 1 15 15 PHE CB C 13 37.413 0.3 . 1 . . . . . 15 PHE CB . 51197 1 32 . 1 . 1 15 15 PHE N N 15 120.128 0.3 . 1 . . . . . 15 PHE N . 51197 1 33 . 1 . 1 20 20 HIS H H 1 7.507 0.020 . 1 . . . . . 20 HIS H . 51197 1 34 . 1 . 1 20 20 HIS C C 13 179.197 0.3 . 1 . . . . . 20 HIS C . 51197 1 35 . 1 . 1 20 20 HIS CA C 13 59.818 0.3 . 1 . . . . . 20 HIS CA . 51197 1 36 . 1 . 1 20 20 HIS N N 15 114.183 0.3 . 1 . . . . . 20 HIS N . 51197 1 37 . 1 . 1 21 21 ILE H H 1 8.682 0.020 . 1 . . . . . 21 ILE H . 51197 1 38 . 1 . 1 21 21 ILE C C 13 177.554 0.3 . 1 . . . . . 21 ILE C . 51197 1 39 . 1 . 1 21 21 ILE CA C 13 65.916 0.3 . 1 . . . . . 21 ILE CA . 51197 1 40 . 1 . 1 21 21 ILE CB C 13 37.649 0.3 . 1 . . . . . 21 ILE CB . 51197 1 41 . 1 . 1 21 21 ILE N N 15 121.850 0.3 . 1 . . . . . 21 ILE N . 51197 1 42 . 1 . 1 22 22 ASN H H 1 9.378 0.020 . 1 . . . . . 22 ASN H . 51197 1 43 . 1 . 1 22 22 ASN C C 13 177.114 0.3 . 1 . . . . . 22 ASN C . 51197 1 44 . 1 . 1 22 22 ASN CA C 13 54.441 0.3 . 1 . . . . . 22 ASN CA . 51197 1 45 . 1 . 1 22 22 ASN CB C 13 36.235 0.3 . 1 . . . . . 22 ASN CB . 51197 1 46 . 1 . 1 22 22 ASN N N 15 119.333 0.3 . 1 . . . . . 22 ASN N . 51197 1 47 . 1 . 1 23 23 LYS H H 1 7.327 0.020 . 1 . . . . . 23 LYS H . 51197 1 48 . 1 . 1 23 23 LYS CA C 13 56.297 0.3 . 1 . . . . . 23 LYS CA . 51197 1 49 . 1 . 1 23 23 LYS N N 15 117.930 0.3 . 1 . . . . . 23 LYS N . 51197 1 50 . 1 . 1 24 24 LEU H H 1 7.056 0.020 . 1 . . . . . 24 LEU H . 51197 1 51 . 1 . 1 24 24 LEU C C 13 177.672 0.3 . 1 . . . . . 24 LEU C . 51197 1 52 . 1 . 1 24 24 LEU CA C 13 56.517 0.3 . 1 . . . . . 24 LEU CA . 51197 1 53 . 1 . 1 24 24 LEU CB C 13 41.497 0.3 . 1 . . . . . 24 LEU CB . 51197 1 54 . 1 . 1 24 24 LEU N N 15 123.246 0.3 . 1 . . . . . 24 LEU N . 51197 1 55 . 1 . 1 25 25 ARG H H 1 8.994 0.020 . 1 . . . . . 25 ARG H . 51197 1 56 . 1 . 1 25 25 ARG C C 13 173.623 0.3 . 1 . . . . . 25 ARG C . 51197 1 57 . 1 . 1 25 25 ARG CA C 13 52.995 0.3 . 1 . . . . . 25 ARG CA . 51197 1 58 . 1 . 1 25 25 ARG CB C 13 31.916 0.3 . 1 . . . . . 25 ARG CB . 51197 1 59 . 1 . 1 25 25 ARG N N 15 126.534 0.3 . 1 . . . . . 25 ARG N . 51197 1 60 . 1 . 1 26 26 LEU H H 1 9.017 0.020 . 1 . . . . . 26 LEU H . 51197 1 61 . 1 . 1 26 26 LEU C C 13 175.695 0.3 . 1 . . . . . 26 LEU C . 51197 1 62 . 1 . 1 26 26 LEU CA C 13 52.052 0.3 . 1 . . . . . 26 LEU CA . 51197 1 63 . 1 . 1 26 26 LEU CB C 13 42.126 0.3 . 1 . . . . . 26 LEU CB . 51197 1 64 . 1 . 1 26 26 LEU N N 15 122.627 0.3 . 1 . . . . . 26 LEU N . 51197 1 65 . 1 . 1 27 27 ILE H H 1 8.885 0.020 . 1 . . . . . 27 ILE H . 51197 1 66 . 1 . 1 27 27 ILE C C 13 173.183 0.3 . 1 . . . . . 27 ILE C . 51197 1 67 . 1 . 1 27 27 ILE CA C 13 59.567 0.3 . 1 . . . . . 27 ILE CA . 51197 1 68 . 1 . 1 27 27 ILE CB C 13 37.649 0.3 . 1 . . . . . 27 ILE CB . 51197 1 69 . 1 . 1 27 27 ILE N N 15 121.850 0.3 . 1 . . . . . 27 ILE N . 51197 1 70 . 1 . 1 28 28 SER H H 1 8.258 0.020 . 1 . . . . . 28 SER H . 51197 1 71 . 1 . 1 28 28 SER C C 13 173.946 0.3 . 1 . . . . . 28 SER C . 51197 1 72 . 1 . 1 28 28 SER CA C 13 56.045 0.3 . 1 . . . . . 28 SER CA . 51197 1 73 . 1 . 1 28 28 SER CB C 13 65.058 0.3 . 1 . . . . . 28 SER CB . 51197 1 74 . 1 . 1 28 28 SER N N 15 124.189 0.3 . 1 . . . . . 28 SER N . 51197 1 75 . 1 . 1 30 30 SER H H 1 8.924 0.020 . 1 . . . . . 30 SER H . 51197 1 76 . 1 . 1 30 30 SER CA C 13 57.932 0.3 . 1 . . . . . 30 SER CA . 51197 1 77 . 1 . 1 30 30 SER N N 15 113.874 0.3 . 1 . . . . . 30 SER N . 51197 1 78 . 1 . 1 31 31 GLY H H 1 7.750 0.020 . 1 . . . . . 31 GLY H . 51197 1 79 . 1 . 1 31 31 GLY CA C 13 43.625 0.3 . 1 . . . . . 31 GLY CA . 51197 1 80 . 1 . 1 31 31 GLY N N 15 111.375 0.3 . 1 . . . . . 31 GLY N . 51197 1 81 . 1 . 1 32 32 ALA H H 1 8.399 0.020 . 1 . . . . . 32 ALA H . 51197 1 82 . 1 . 1 32 32 ALA C C 13 177.569 0.3 . 1 . . . . . 32 ALA C . 51197 1 83 . 1 . 1 32 32 ALA CA C 13 49.945 0.3 . 1 . . . . . 32 ALA CA . 51197 1 84 . 1 . 1 32 32 ALA CB C 13 20.015 0.3 . 1 . . . . . 32 ALA CB . 51197 1 85 . 1 . 1 32 32 ALA N N 15 124.815 0.3 . 1 . . . . . 32 ALA N . 51197 1 86 . 1 . 1 33 33 ARG H H 1 8.946 0.020 . 1 . . . . . 33 ARG H . 51197 1 87 . 1 . 1 33 33 ARG C C 13 175.031 0.3 . 1 . . . . . 33 ARG C . 51197 1 88 . 1 . 1 33 33 ARG CA C 13 54.410 0.3 . 1 . . . . . 33 ARG CA . 51197 1 89 . 1 . 1 33 33 ARG CB C 13 32.230 0.3 . 1 . . . . . 33 ARG CB . 51197 1 90 . 1 . 1 33 33 ARG N N 15 118.227 0.3 . 1 . . . . . 33 ARG N . 51197 1 91 . 1 . 1 34 34 GLY H H 1 8.438 0.020 . 1 . . . . . 34 GLY H . 51197 1 92 . 1 . 1 34 34 GLY C C 13 175.011 0.3 . 1 . . . . . 34 GLY C . 51197 1 93 . 1 . 1 34 34 GLY CA C 13 42.462 0.3 . 1 . . . . . 34 GLY CA . 51197 1 94 . 1 . 1 34 34 GLY N N 15 107.468 0.3 . 1 . . . . . 34 GLY N . 51197 1 95 . 1 . 1 35 35 LEU H H 1 8.071 0.020 . 1 . . . . . 35 LEU H . 51197 1 96 . 1 . 1 35 35 LEU C C 13 178.875 0.3 . 1 . . . . . 35 LEU C . 51197 1 97 . 1 . 1 35 35 LEU CA C 13 54.630 0.3 . 1 . . . . . 35 LEU CA . 51197 1 98 . 1 . 1 35 35 LEU CB C 13 41.576 0.3 . 1 . . . . . 35 LEU CB . 51197 1 99 . 1 . 1 35 35 LEU N N 15 120.751 0.3 . 1 . . . . . 35 LEU N . 51197 1 100 . 1 . 1 36 36 THR H H 1 9.834 0.020 . 1 . . . . . 36 THR H . 51197 1 101 . 1 . 1 36 36 THR C C 13 175.501 0.3 . 1 . . . . . 36 THR C . 51197 1 102 . 1 . 1 36 36 THR CA C 13 60.510 0.3 . 1 . . . . . 36 THR CA . 51197 1 103 . 1 . 1 36 36 THR CB C 13 70.163 0.3 . 1 . . . . . 36 THR CB . 51197 1 104 . 1 . 1 36 36 THR N N 15 115.756 0.3 . 1 . . . . . 36 THR N . 51197 1 105 . 1 . 1 37 37 ASP H H 1 8.975 0.020 . 1 . . . . . 37 ASP H . 51197 1 106 . 1 . 1 37 37 ASP C C 13 178.112 0.3 . 1 . . . . . 37 ASP C . 51197 1 107 . 1 . 1 37 37 ASP CA C 13 58.623 0.3 . 1 . . . . . 37 ASP CA . 51197 1 108 . 1 . 1 37 37 ASP CB C 13 39.220 0.3 . 1 . . . . . 37 ASP CB . 51197 1 109 . 1 . 1 37 37 ASP N N 15 121.697 0.3 . 1 . . . . . 37 ASP N . 51197 1 110 . 1 . 1 38 38 GLU H H 1 8.573 0.020 . 1 . . . . . 38 GLU H . 51197 1 111 . 1 . 1 38 38 GLU C C 13 179.417 0.3 . 1 . . . . . 38 GLU C . 51197 1 112 . 1 . 1 38 38 GLU CA C 13 59.378 0.3 . 1 . . . . . 38 GLU CA . 51197 1 113 . 1 . 1 38 38 GLU CB C 13 28.146 0.3 . 1 . . . . . 38 GLU CB . 51197 1 114 . 1 . 1 38 38 GLU N N 15 118.792 0.3 . 1 . . . . . 38 GLU N . 51197 1 115 . 1 . 1 39 39 GLU H H 1 7.517 0.020 . 1 . . . . . 39 GLU H . 51197 1 116 . 1 . 1 39 39 GLU C C 13 178.488 0.3 . 1 . . . . . 39 GLU C . 51197 1 117 . 1 . 1 39 39 GLU CA C 13 58.623 0.3 . 1 . . . . . 39 GLU CA . 51197 1 118 . 1 . 1 39 39 GLU N N 15 120.470 0.3 . 1 . . . . . 39 GLU N . 51197 1 119 . 1 . 1 42 42 LEU H H 1 6.952 0.020 . 1 . . . . . 42 LEU H . 51197 1 120 . 1 . 1 42 42 LEU C C 13 176.131 0.3 . 1 . . . . . 42 LEU C . 51197 1 121 . 1 . 1 42 42 LEU CA C 13 52.429 0.3 . 1 . . . . . 42 LEU CA . 51197 1 122 . 1 . 1 42 42 LEU CB C 13 44.717 0.3 . 1 . . . . . 42 LEU CB . 51197 1 123 . 1 . 1 42 42 LEU N N 15 119.652 0.3 . 1 . . . . . 42 LEU N . 51197 1 124 . 1 . 1 43 43 LEU H H 1 8.424 0.020 . 1 . . . . . 43 LEU H . 51197 1 125 . 1 . 1 43 43 LEU C C 13 183.452 0.3 . 1 . . . . . 43 LEU C . 51197 1 126 . 1 . 1 43 43 LEU CA C 13 56.988 0.3 . 1 . . . . . 43 LEU CA . 51197 1 127 . 1 . 1 43 43 LEU N N 15 117.462 0.3 . 1 . . . . . 43 LEU N . 51197 1 128 . 1 . 1 47 47 ALA H H 1 8.049 0.020 . 1 . . . . . 47 ALA H . 51197 1 129 . 1 . 1 47 47 ALA C C 13 177.554 0.3 . 1 . . . . . 47 ALA C . 51197 1 130 . 1 . 1 47 47 ALA CA C 13 54.190 0.3 . 1 . . . . . 47 ALA CA . 51197 1 131 . 1 . 1 47 47 ALA CB C 13 15.821 0.3 . 1 . . . . . 47 ALA CB . 51197 1 132 . 1 . 1 47 47 ALA N N 15 123.407 0.3 . 1 . . . . . 47 ALA N . 51197 1 133 . 1 . 1 48 48 PHE H H 1 6.760 0.020 . 1 . . . . . 48 PHE H . 51197 1 134 . 1 . 1 48 48 PHE C C 13 174.914 0.3 . 1 . . . . . 48 PHE C . 51197 1 135 . 1 . 1 48 48 PHE CA C 13 59.095 0.3 . 1 . . . . . 48 PHE CA . 51197 1 136 . 1 . 1 48 48 PHE CB C 13 38.071 0.3 . 1 . . . . . 48 PHE CB . 51197 1 137 . 1 . 1 48 48 PHE N N 15 112.774 0.3 . 1 . . . . . 48 PHE N . 51197 1 138 . 1 . 1 52 52 LYS H H 1 7.327 0.020 . 1 . . . . . 52 LYS H . 51197 1 139 . 1 . 1 52 52 LYS C C 13 173.711 0.3 . 1 . . . . . 52 LYS C . 51197 1 140 . 1 . 1 52 52 LYS CA C 13 54.599 0.3 . 1 . . . . . 52 LYS CA . 51197 1 141 . 1 . 1 52 52 LYS CB C 13 33.958 0.3 . 1 . . . . . 52 LYS CB . 51197 1 142 . 1 . 1 52 52 LYS N N 15 114.657 0.3 . 1 . . . . . 52 LYS N . 51197 1 143 . 1 . 1 53 53 ILE H H 1 8.712 0.020 . 1 . . . . . 53 ILE H . 51197 1 144 . 1 . 1 53 53 ILE C C 13 176.894 0.3 . 1 . . . . . 53 ILE C . 51197 1 145 . 1 . 1 53 53 ILE CA C 13 58.372 0.3 . 1 . . . . . 53 ILE CA . 51197 1 146 . 1 . 1 53 53 ILE CB C 13 39.141 0.3 . 1 . . . . . 53 ILE CB . 51197 1 147 . 1 . 1 53 53 ILE N N 15 122.933 0.3 . 1 . . . . . 53 ILE N . 51197 1 148 . 1 . 1 54 54 THR H H 1 9.754 0.020 . 1 . . . . . 54 THR H . 51197 1 149 . 1 . 1 54 54 THR C C 13 175.809 0.3 . 1 . . . . . 54 THR C . 51197 1 150 . 1 . 1 54 54 THR CA C 13 60.007 0.3 . 1 . . . . . 54 THR CA . 51197 1 151 . 1 . 1 54 54 THR CB C 13 71.420 0.3 . 1 . . . . . 54 THR CB . 51197 1 152 . 1 . 1 54 54 THR N N 15 120.909 0.3 . 1 . . . . . 54 THR N . 51197 1 153 . 1 . 1 55 55 TYR H H 1 7.931 0.020 . 1 . . . . . 55 TYR H . 51197 1 154 . 1 . 1 55 55 TYR CA C 13 63.025 0.3 . 1 . . . . . 55 TYR CA . 51197 1 155 . 1 . 1 55 55 TYR CB C 13 35.136 0.3 . 1 . . . . . 55 TYR CB . 51197 1 156 . 1 . 1 55 55 TYR N N 15 118.876 0.3 . 1 . . . . . 55 TYR N . 51197 1 157 . 1 . 1 56 56 HIS H H 1 8.125 0.020 . 1 . . . . . 56 HIS H . 51197 1 158 . 1 . 1 56 56 HIS C C 13 177.510 0.3 . 1 . . . . . 56 HIS C . 51197 1 159 . 1 . 1 56 56 HIS CA C 13 59.787 0.3 . 1 . . . . . 56 HIS CA . 51197 1 160 . 1 . 1 56 56 HIS CB C 13 29.167 0.3 . 1 . . . . . 56 HIS CB . 51197 1 161 . 1 . 1 56 56 HIS N N 15 121.058 0.3 . 1 . . . . . 56 HIS N . 51197 1 162 . 1 . 1 57 57 ASP H H 1 7.739 0.020 . 1 . . . . . 57 ASP H . 51197 1 163 . 1 . 1 57 57 ASP C C 13 178.655 0.3 . 1 . . . . . 57 ASP C . 51197 1 164 . 1 . 1 57 57 ASP CA C 13 56.957 0.3 . 1 . . . . . 57 ASP CA . 51197 1 165 . 1 . 1 57 57 ASP CB C 13 35.764 0.3 . 1 . . . . . 57 ASP CB . 51197 1 166 . 1 . 1 57 57 ASP N N 15 119.338 0.3 . 1 . . . . . 57 ASP N . 51197 1 167 . 1 . 1 66 66 ASP H H 1 8.573 0.020 . 1 . . . . . 66 ASP H . 51197 1 168 . 1 . 1 66 66 ASP CA C 13 56.328 0.3 . 1 . . . . . 66 ASP CA . 51197 1 169 . 1 . 1 66 66 ASP CB C 13 39.848 0.3 . 1 . . . . . 66 ASP CB . 51197 1 170 . 1 . 1 66 66 ASP N N 15 119.803 0.3 . 1 . . . . . 66 ASP N . 51197 1 171 . 1 . 1 67 67 ASP H H 1 7.594 0.020 . 1 . . . . . 67 ASP H . 51197 1 172 . 1 . 1 67 67 ASP C C 13 175.369 0.3 . 1 . . . . . 67 ASP C . 51197 1 173 . 1 . 1 67 67 ASP CA C 13 52.964 0.3 . 1 . . . . . 67 ASP CA . 51197 1 174 . 1 . 1 67 67 ASP CB C 13 38.984 0.3 . 1 . . . . . 67 ASP CB . 51197 1 175 . 1 . 1 67 67 ASP N N 15 115.600 0.3 . 1 . . . . . 67 ASP N . 51197 1 176 . 1 . 1 68 68 THR H H 1 7.451 0.020 . 1 . . . . . 68 THR H . 51197 1 177 . 1 . 1 68 68 THR C C 13 172.391 0.3 . 1 . . . . . 68 THR C . 51197 1 178 . 1 . 1 68 68 THR CA C 13 60.982 0.3 . 1 . . . . . 68 THR CA . 51197 1 179 . 1 . 1 68 68 THR CB C 13 69.692 0.3 . 1 . . . . . 68 THR CB . 51197 1 180 . 1 . 1 68 68 THR N N 15 117.162 0.3 . 1 . . . . . 68 THR N . 51197 1 181 . 1 . 1 69 69 TYR H H 1 9.015 0.020 . 1 . . . . . 69 TYR H . 51197 1 182 . 1 . 1 69 69 TYR C C 13 172.743 0.3 . 1 . . . . . 69 TYR C . 51197 1 183 . 1 . 1 69 69 TYR CA C 13 55.573 0.3 . 1 . . . . . 69 TYR CA . 51197 1 184 . 1 . 1 69 69 TYR CB C 13 38.042 0.3 . 1 . . . . . 69 TYR CB . 51197 1 185 . 1 . 1 69 69 TYR N N 15 124.355 0.3 . 1 . . . . . 69 TYR N . 51197 1 186 . 1 . 1 70 70 PHE H H 1 8.117 0.020 . 1 . . . . . 70 PHE H . 51197 1 187 . 1 . 1 70 70 PHE C C 13 176.484 0.3 . 1 . . . . . 70 PHE C . 51197 1 188 . 1 . 1 70 70 PHE CA C 13 58.152 0.3 . 1 . . . . . 70 PHE CA . 51197 1 189 . 1 . 1 70 70 PHE CB C 13 38.984 0.3 . 1 . . . . . 70 PHE CB . 51197 1 190 . 1 . 1 70 70 PHE N N 15 118.099 0.3 . 1 . . . . . 70 PHE N . 51197 1 191 . 1 . 1 71 71 LYS H H 1 8.540 0.020 . 1 . . . . . 71 LYS H . 51197 1 192 . 1 . 1 71 71 LYS C C 13 177.452 0.3 . 1 . . . . . 71 LYS C . 51197 1 193 . 1 . 1 71 71 LYS CA C 13 57.271 0.3 . 1 . . . . . 71 LYS CA . 51197 1 194 . 1 . 1 71 71 LYS CB C 13 32.309 0.3 . 1 . . . . . 71 LYS CB . 51197 1 195 . 1 . 1 71 71 LYS N N 15 125.283 0.3 . 1 . . . . . 71 LYS N . 51197 1 196 . 1 . 1 73 73 ILE H H 1 6.717 0.020 . 1 . . . . . 73 ILE H . 51197 1 197 . 1 . 1 73 73 ILE C C 13 174.811 0.3 . 1 . . . . . 73 ILE C . 51197 1 198 . 1 . 1 73 73 ILE CA C 13 58.403 0.3 . 1 . . . . . 73 ILE CA . 51197 1 199 . 1 . 1 73 73 ILE CB C 13 37.728 0.3 . 1 . . . . . 73 ILE CB . 51197 1 200 . 1 . 1 73 73 ILE N N 15 116.845 0.3 . 1 . . . . . 73 ILE N . 51197 1 201 . 1 . 1 74 74 VAL H H 1 8.329 0.020 . 1 . . . . . 74 VAL H . 51197 1 202 . 1 . 1 74 74 VAL C C 13 175.471 0.3 . 1 . . . . . 74 VAL C . 51197 1 203 . 1 . 1 74 74 VAL CA C 13 61.705 0.3 . 1 . . . . . 74 VAL CA . 51197 1 204 . 1 . 1 74 74 VAL CB C 13 30.424 0.3 . 1 . . . . . 74 VAL CB . 51197 1 205 . 1 . 1 74 74 VAL N N 15 126.377 0.3 . 1 . . . . . 74 VAL N . 51197 1 206 . 1 . 1 75 75 TYR H H 1 8.657 0.020 . 1 . . . . . 75 TYR H . 51197 1 207 . 1 . 1 75 75 TYR CA C 13 57.491 0.3 . 1 . . . . . 75 TYR CA . 51197 1 208 . 1 . 1 75 75 TYR CB C 13 36.942 0.3 . 1 . . . . . 75 TYR CB . 51197 1 209 . 1 . 1 75 75 TYR N N 15 127.784 0.3 . 1 . . . . . 75 TYR N . 51197 1 210 . 1 . 1 76 76 ASP H H 1 8.110 0.020 . 1 . . . . . 76 ASP H . 51197 1 211 . 1 . 1 76 76 ASP C C 13 177.760 0.3 . 1 . . . . . 76 ASP C . 51197 1 212 . 1 . 1 76 76 ASP CA C 13 53.435 0.3 . 1 . . . . . 76 ASP CA . 51197 1 213 . 1 . 1 76 76 ASP CB C 13 40.948 0.3 . 1 . . . . . 76 ASP CB . 51197 1 214 . 1 . 1 76 76 ASP N N 15 124.033 0.3 . 1 . . . . . 76 ASP N . 51197 1 215 . 1 . 1 77 77 ARG H H 1 8.766 0.020 . 1 . . . . . 77 ARG H . 51197 1 216 . 1 . 1 77 77 ARG C C 13 177.026 0.3 . 1 . . . . . 77 ARG C . 51197 1 217 . 1 . 1 77 77 ARG CA C 13 56.988 0.3 . 1 . . . . . 77 ARG CA . 51197 1 218 . 1 . 1 77 77 ARG N N 15 126.062 0.3 . 1 . . . . . 77 ARG N . 51197 1 219 . 1 . 1 82 82 LYS H H 1 8.080 0.020 . 1 . . . . . 82 LYS H . 51197 1 220 . 1 . 1 82 82 LYS C C 13 177.995 0.3 . 1 . . . . . 82 LYS C . 51197 1 221 . 1 . 1 82 82 LYS CA C 13 59.095 0.3 . 1 . . . . . 82 LYS CA . 51197 1 222 . 1 . 1 82 82 LYS CB C 13 31.052 0.3 . 1 . . . . . 82 LYS CB . 51197 1 223 . 1 . 1 82 82 LYS N N 15 117.988 0.3 . 1 . . . . . 82 LYS N . 51197 1 224 . 1 . 1 83 83 GLN H H 1 7.583 0.020 . 1 . . . . . 83 GLN H . 51197 1 225 . 1 . 1 83 83 GLN C C 13 179.432 0.3 . 1 . . . . . 83 GLN C . 51197 1 226 . 1 . 1 83 83 GLN CA C 13 57.712 0.3 . 1 . . . . . 83 GLN CA . 51197 1 227 . 1 . 1 83 83 GLN CB C 13 27.204 0.3 . 1 . . . . . 83 GLN CB . 51197 1 228 . 1 . 1 83 83 GLN N N 15 117.773 0.3 . 1 . . . . . 83 GLN N . 51197 1 229 . 1 . 1 84 84 ASN H H 1 8.110 0.020 . 1 . . . . . 84 ASN H . 51197 1 230 . 1 . 1 84 84 ASN C C 13 175.633 0.3 . 1 . . . . . 84 ASN C . 51197 1 231 . 1 . 1 84 84 ASN CA C 13 55.353 0.3 . 1 . . . . . 84 ASN CA . 51197 1 232 . 1 . 1 84 84 ASN CB C 13 39.612 0.3 . 1 . . . . . 84 ASN CB . 51197 1 233 . 1 . 1 84 84 ASN N N 15 117.544 0.3 . 1 . . . . . 84 ASN N . 51197 1 234 . 1 . 1 85 85 GLU H H 1 7.843 0.020 . 1 . . . . . 85 GLU H . 51197 1 235 . 1 . 1 85 85 GLU C C 13 176.894 0.3 . 1 . . . . . 85 GLU C . 51197 1 236 . 1 . 1 85 85 GLU CA C 13 55.385 0.3 . 1 . . . . . 85 GLU CA . 51197 1 237 . 1 . 1 85 85 GLU CB C 13 27.439 0.3 . 1 . . . . . 85 GLU CB . 51197 1 238 . 1 . 1 85 85 GLU N N 15 113.105 0.3 . 1 . . . . . 85 GLU N . 51197 1 239 . 1 . 1 86 86 ASN H H 1 7.797 0.020 . 1 . . . . . 86 ASN H . 51197 1 240 . 1 . 1 86 86 ASN C C 13 174.268 0.3 . 1 . . . . . 86 ASN C . 51197 1 241 . 1 . 1 86 86 ASN CA C 13 52.272 0.3 . 1 . . . . . 86 ASN CA . 51197 1 242 . 1 . 1 86 86 ASN CB C 13 35.764 0.3 . 1 . . . . . 86 ASN CB . 51197 1 243 . 1 . 1 86 86 ASN N N 15 125.741 0.3 . 1 . . . . . 86 ASN N . 51197 1 244 . 1 . 1 87 87 ILE H H 1 7.726 0.020 . 1 . . . . . 87 ILE H . 51197 1 245 . 1 . 1 87 87 ILE C C 13 175.156 0.3 . 1 . . . . . 87 ILE C . 51197 1 246 . 1 . 1 87 87 ILE CA C 13 58.812 0.3 . 1 . . . . . 87 ILE CA . 51197 1 247 . 1 . 1 87 87 ILE CB C 13 40.084 0.3 . 1 . . . . . 87 ILE CB . 51197 1 248 . 1 . 1 87 87 ILE N N 15 117.157 0.3 . 1 . . . . . 87 ILE N . 51197 1 249 . 1 . 1 88 88 ARG H H 1 8.502 0.020 . 1 . . . . . 88 ARG H . 51197 1 250 . 1 . 1 88 88 ARG C C 13 174.488 0.3 . 1 . . . . . 88 ARG C . 51197 1 251 . 1 . 1 88 88 ARG CA C 13 58.183 0.3 . 1 . . . . . 88 ARG CA . 51197 1 252 . 1 . 1 88 88 ARG CB C 13 29.717 0.3 . 1 . . . . . 88 ARG CB . 51197 1 253 . 1 . 1 88 88 ARG N N 15 124.185 0.3 . 1 . . . . . 88 ARG N . 51197 1 254 . 1 . 1 89 89 PHE H H 1 9.140 0.020 . 1 . . . . . 89 PHE H . 51197 1 255 . 1 . 1 89 89 PHE C C 13 174.048 0.3 . 1 . . . . . 89 PHE C . 51197 1 256 . 1 . 1 89 89 PHE CA C 13 57.648 0.3 . 1 . . . . . 89 PHE CA . 51197 1 257 . 1 . 1 89 89 PHE CB C 13 38.102 0.3 . 1 . . . . . 89 PHE CB . 51197 1 258 . 1 . 1 89 89 PHE N N 15 127.015 0.3 . 1 . . . . . 89 PHE N . 51197 1 259 . 1 . 1 90 90 LEU H H 1 7.507 0.020 . 1 . . . . . 90 LEU H . 51197 1 260 . 1 . 1 90 90 LEU C C 13 173.843 0.3 . 1 . . . . . 90 LEU C . 51197 1 261 . 1 . 1 90 90 LEU CA C 13 53.215 0.3 . 1 . . . . . 90 LEU CA . 51197 1 262 . 1 . 1 90 90 LEU N N 15 116.983 0.3 . 1 . . . . . 90 LEU N . 51197 1 263 . 1 . 1 91 91 GLU H H 1 8.371 0.020 . 1 . . . . . 91 GLU H . 51197 1 264 . 1 . 1 91 91 GLU C C 13 174.826 0.3 . 1 . . . . . 91 GLU C . 51197 1 265 . 1 . 1 91 91 GLU CA C 13 55.102 0.3 . 1 . . . . . 91 GLU CA . 51197 1 266 . 1 . 1 91 91 GLU CB C 13 31.052 0.3 . 1 . . . . . 91 GLU CB . 51197 1 267 . 1 . 1 91 91 GLU N N 15 123.731 0.3 . 1 . . . . . 91 GLU N . 51197 1 268 . 1 . 1 92 92 LEU H H 1 9.125 0.020 . 1 . . . . . 92 LEU H . 51197 1 269 . 1 . 1 92 92 LEU C C 13 176.469 0.3 . 1 . . . . . 92 LEU C . 51197 1 270 . 1 . 1 92 92 LEU CA C 13 52.366 0.3 . 1 . . . . . 92 LEU CA . 51197 1 271 . 1 . 1 92 92 LEU CB C 13 36.235 0.3 . 1 . . . . . 92 LEU CB . 51197 1 272 . 1 . 1 92 92 LEU N N 15 131.063 0.3 . 1 . . . . . 92 LEU N . 51197 1 273 . 1 . 1 94 94 ALA H H 1 7.382 0.020 . 1 . . . . . 94 ALA H . 51197 1 274 . 1 . 1 94 94 ALA C C 13 175.480 0.3 . 1 . . . . . 94 ALA C . 51197 1 275 . 1 . 1 94 94 ALA CA C 13 55.542 0.3 . 1 . . . . . 94 ALA CA . 51197 1 276 . 1 . 1 94 94 ALA CB C 13 25.711 0.3 . 1 . . . . . 94 ALA CB . 51197 1 277 . 1 . 1 94 94 ALA N N 15 117.313 0.3 . 1 . . . . . 94 ALA N . 51197 1 278 . 1 . 1 95 95 TYR H H 1 7.797 0.020 . 1 . . . . . 95 TYR H . 51197 1 279 . 1 . 1 95 95 TYR C C 13 175.469 0.3 . 1 . . . . . 95 TYR C . 51197 1 280 . 1 . 1 95 95 TYR CA C 13 52.838 0.3 . 1 . . . . . 95 TYR CA . 51197 1 281 . 1 . 1 95 95 TYR CB C 13 39.848 0.3 . 1 . . . . . 95 TYR CB . 51197 1 282 . 1 . 1 95 95 TYR N N 15 117.313 0.3 . 1 . . . . . 95 TYR N . 51197 1 283 . 1 . 1 96 96 HIS H H 1 8.407 0.020 . 1 . . . . . 96 HIS H . 51197 1 284 . 1 . 1 96 96 HIS CA C 13 56.548 0.3 . 1 . . . . . 96 HIS CA . 51197 1 285 . 1 . 1 96 96 HIS CB C 13 27.204 0.3 . 1 . . . . . 96 HIS CB . 51197 1 286 . 1 . 1 96 96 HIS N N 15 119.497 0.3 . 1 . . . . . 96 HIS N . 51197 1 287 . 1 . 1 99 99 ARG H H 1 9.017 0.020 . 1 . . . . . 99 ARG H . 51197 1 288 . 1 . 1 99 99 ARG C C 13 177.598 0.3 . 1 . . . . . 99 ARG C . 51197 1 289 . 1 . 1 99 99 ARG CA C 13 59.347 0.3 . 1 . . . . . 99 ARG CA . 51197 1 290 . 1 . 1 99 99 ARG CB C 13 28.303 0.3 . 1 . . . . . 99 ARG CB . 51197 1 291 . 1 . 1 99 99 ARG N N 15 121.839 0.3 . 1 . . . . . 99 ARG N . 51197 1 292 . 1 . 1 100 100 LYS H H 1 7.953 0.020 . 1 . . . . . 100 LYS H . 51197 1 293 . 1 . 1 100 100 LYS C C 13 178.977 0.3 . 1 . . . . . 100 LYS C . 51197 1 294 . 1 . 1 100 100 LYS CA C 13 59.347 0.3 . 1 . . . . . 100 LYS CA . 51197 1 295 . 1 . 1 100 100 LYS CB C 13 31.052 0.3 . 1 . . . . . 100 LYS CB . 51197 1 296 . 1 . 1 100 100 LYS N N 15 117.779 0.3 . 1 . . . . . 100 LYS N . 51197 1 297 . 1 . 1 101 101 ALA H H 1 7.234 0.020 . 1 . . . . . 101 ALA H . 51197 1 298 . 1 . 1 101 101 ALA C C 13 178.317 0.3 . 1 . . . . . 101 ALA C . 51197 1 299 . 1 . 1 101 101 ALA CA C 13 54.599 0.3 . 1 . . . . . 101 ALA CA . 51197 1 300 . 1 . 1 101 101 ALA CB C 13 17.308 0.3 . 1 . . . . . 101 ALA CB . 51197 1 301 . 1 . 1 101 101 ALA N N 15 123.234 0.3 . 1 . . . . . 101 ALA N . 51197 1 302 . 1 . 1 102 102 VAL H H 1 7.750 0.020 . 1 . . . . . 102 VAL H . 51197 1 303 . 1 . 1 102 102 VAL C C 13 178.435 0.3 . 1 . . . . . 102 VAL C . 51197 1 304 . 1 . 1 102 102 VAL CA C 13 66.074 0.3 . 1 . . . . . 102 VAL CA . 51197 1 305 . 1 . 1 102 102 VAL CB C 13 29.989 0.3 . 1 . . . . . 102 VAL CB . 51197 1 306 . 1 . 1 102 102 VAL N N 15 117.803 0.3 . 1 . . . . . 102 VAL N . 51197 1 307 . 1 . 1 103 103 ASP H H 1 8.369 0.020 . 1 . . . . . 103 ASP H . 51197 1 308 . 1 . 1 103 103 ASP C C 13 179.931 0.3 . 1 . . . . . 103 ASP C . 51197 1 309 . 1 . 1 103 103 ASP CA C 13 55.573 0.3 . 1 . . . . . 103 ASP CA . 51197 1 310 . 1 . 1 103 103 ASP CB C 13 39.220 0.3 . 1 . . . . . 103 ASP CB . 51197 1 311 . 1 . 1 103 103 ASP N N 15 120.274 0.3 . 1 . . . . . 103 ASP N . 51197 1 312 . 1 . 1 104 104 LYS H H 1 8.024 0.020 . 1 . . . . . 104 LYS H . 51197 1 313 . 1 . 1 104 104 LYS C C 13 178.083 0.3 . 1 . . . . . 104 LYS C . 51197 1 314 . 1 . 1 104 104 LYS CA C 13 58.875 0.3 . 1 . . . . . 104 LYS CA . 51197 1 315 . 1 . 1 104 104 LYS CB C 13 31.309 0.3 . 1 . . . . . 104 LYS CB . 51197 1 316 . 1 . 1 104 104 LYS N N 15 123.614 0.3 . 1 . . . . . 104 LYS N . 51197 1 317 . 1 . 1 105 105 VAL H H 1 7.210 0.020 . 1 . . . . . 105 VAL H . 51197 1 318 . 1 . 1 105 105 VAL C C 13 177.628 0.3 . 1 . . . . . 105 VAL C . 51197 1 319 . 1 . 1 105 105 VAL CA C 13 64.975 0.3 . 1 . . . . . 105 VAL CA . 51197 1 320 . 1 . 1 105 105 VAL CB C 13 37.963 0.3 . 1 . . . . . 105 VAL CB . 51197 1 321 . 1 . 1 105 105 VAL N N 15 118.251 0.3 . 1 . . . . . 105 VAL N . 51197 1 322 . 1 . 1 109 109 GLY H H 1 8.795 0.020 . 1 . . . . . 109 GLY H . 51197 1 323 . 1 . 1 109 109 GLY CA C 13 44.537 0.3 . 1 . . . . . 109 GLY CA . 51197 1 324 . 1 . 1 109 109 GLY N N 15 109.322 0.3 . 1 . . . . . 109 GLY N . 51197 1 325 . 1 . 1 110 110 LYS H H 1 7.668 0.020 . 1 . . . . . 110 LYS H . 51197 1 326 . 1 . 1 110 110 LYS C C 13 175.882 0.3 . 1 . . . . . 110 LYS C . 51197 1 327 . 1 . 1 110 110 LYS CA C 13 53.907 0.3 . 1 . . . . . 110 LYS CA . 51197 1 328 . 1 . 1 110 110 LYS CB C 13 30.816 0.3 . 1 . . . . . 110 LYS CB . 51197 1 329 . 1 . 1 110 110 LYS N N 15 119.815 0.3 . 1 . . . . . 110 LYS N . 51197 1 330 . 1 . 1 111 111 SER H H 1 8.612 0.020 . 1 . . . . . 111 SER H . 51197 1 331 . 1 . 1 111 111 SER C C 13 175.251 0.3 . 1 . . . . . 111 SER C . 51197 1 332 . 1 . 1 111 111 SER CA C 13 56.988 0.3 . 1 . . . . . 111 SER CA . 51197 1 333 . 1 . 1 111 111 SER CB C 13 63.880 0.3 . 1 . . . . . 111 SER CB . 51197 1 334 . 1 . 1 111 111 SER N N 15 116.861 0.3 . 1 . . . . . 111 SER N . 51197 1 335 . 1 . 1 112 112 SER H H 1 7.819 0.020 . 1 . . . . . 112 SER H . 51197 1 336 . 1 . 1 112 112 SER CA C 13 60.982 0.3 . 1 . . . . . 112 SER CA . 51197 1 337 . 1 . 1 112 112 SER N N 15 115.600 0.3 . 1 . . . . . 112 SER N . 51197 1 338 . 1 . 1 113 113 SER H H 1 7.965 0.020 . 1 . . . . . 113 SER H . 51197 1 339 . 1 . 1 113 113 SER CA C 13 58.875 0.3 . 1 . . . . . 113 SER CA . 51197 1 340 . 1 . 1 113 113 SER N N 15 116.775 0.3 . 1 . . . . . 113 SER N . 51197 1 341 . 1 . 1 114 114 PHE H H 1 7.765 0.020 . 1 . . . . . 114 PHE H . 51197 1 342 . 1 . 1 114 114 PHE C C 13 174.268 0.3 . 1 . . . . . 114 PHE C . 51197 1 343 . 1 . 1 114 114 PHE CA C 13 57.932 0.3 . 1 . . . . . 114 PHE CA . 51197 1 344 . 1 . 1 114 114 PHE CB C 13 39.141 0.3 . 1 . . . . . 114 PHE CB . 51197 1 345 . 1 . 1 114 114 PHE N N 15 122.770 0.3 . 1 . . . . . 114 PHE N . 51197 1 346 . 1 . 1 115 115 LEU H H 1 9.784 0.020 . 1 . . . . . 115 LEU H . 51197 1 347 . 1 . 1 115 115 LEU C C 13 176.889 0.3 . 1 . . . . . 115 LEU C . 51197 1 348 . 1 . 1 115 115 LEU CA C 13 52.744 0.3 . 1 . . . . . 115 LEU CA . 51197 1 349 . 1 . 1 115 115 LEU CB C 13 41.262 0.3 . 1 . . . . . 115 LEU CB . 51197 1 350 . 1 . 1 115 115 LEU N N 15 124.815 0.3 . 1 . . . . . 115 LEU N . 51197 1 351 . 1 . 1 117 117 ILE H H 1 7.931 0.020 . 1 . . . . . 117 ILE H . 51197 1 352 . 1 . 1 117 117 ILE C C 13 177.774 0.3 . 1 . . . . . 117 ILE C . 51197 1 353 . 1 . 1 117 117 ILE CA C 13 60.699 0.3 . 1 . . . . . 117 ILE CA . 51197 1 354 . 1 . 1 117 117 ILE CB C 13 36.314 0.3 . 1 . . . . . 117 ILE CB . 51197 1 355 . 1 . 1 117 117 ILE N N 15 113.464 0.3 . 1 . . . . . 117 ILE N . 51197 1 356 . 1 . 1 118 118 ASP H H 1 7.695 0.020 . 1 . . . . . 118 ASP H . 51197 1 357 . 1 . 1 118 118 ASP C C 13 175.589 0.3 . 1 . . . . . 118 ASP C . 51197 1 358 . 1 . 1 118 118 ASP CA C 13 56.768 0.3 . 1 . . . . . 118 ASP CA . 51197 1 359 . 1 . 1 118 118 ASP N N 15 126.058 0.3 . 1 . . . . . 118 ASP N . 51197 1 360 . 1 . 1 119 119 PHE H H 1 7.868 0.020 . 1 . . . . . 119 PHE H . 51197 1 361 . 1 . 1 119 119 PHE C C 13 181.163 0.3 . 1 . . . . . 119 PHE C . 51197 1 362 . 1 . 1 119 119 PHE CA C 13 62.114 0.3 . 1 . . . . . 119 PHE CA . 51197 1 363 . 1 . 1 119 119 PHE N N 15 128.262 0.3 . 1 . . . . . 119 PHE N . 51197 1 364 . 1 . 1 131 131 ASP H H 1 8.079 0.020 . 1 . . . . . 131 ASP H . 51197 1 365 . 1 . 1 131 131 ASP C C 13 176.777 0.3 . 1 . . . . . 131 ASP C . 51197 1 366 . 1 . 1 131 131 ASP CA C 13 53.184 0.3 . 1 . . . . . 131 ASP CA . 51197 1 367 . 1 . 1 131 131 ASP CB C 13 41.811 0.3 . 1 . . . . . 131 ASP CB . 51197 1 368 . 1 . 1 131 131 ASP N N 15 121.058 0.3 . 1 . . . . . 131 ASP N . 51197 1 369 . 1 . 1 132 132 ASP H H 1 8.892 0.020 . 1 . . . . . 132 ASP H . 51197 1 370 . 1 . 1 132 132 ASP C C 13 177.774 0.3 . 1 . . . . . 132 ASP C . 51197 1 371 . 1 . 1 132 132 ASP CA C 13 56.988 0.3 . 1 . . . . . 132 ASP CA . 51197 1 372 . 1 . 1 132 132 ASP CB C 13 39.534 0.3 . 1 . . . . . 132 ASP CB . 51197 1 373 . 1 . 1 132 132 ASP N N 15 127.471 0.3 . 1 . . . . . 132 ASP N . 51197 1 374 . 1 . 1 133 133 ALA H H 1 8.556 0.020 . 1 . . . . . 133 ALA H . 51197 1 375 . 1 . 1 133 133 ALA C C 13 180.914 0.3 . 1 . . . . . 133 ALA C . 51197 1 376 . 1 . 1 133 133 ALA CA C 13 54.630 0.3 . 1 . . . . . 133 ALA CA . 51197 1 377 . 1 . 1 133 133 ALA CB C 13 17.151 0.3 . 1 . . . . . 133 ALA CB . 51197 1 378 . 1 . 1 133 133 ALA N N 15 121.203 0.3 . 1 . . . . . 133 ALA N . 51197 1 379 . 1 . 1 134 134 ASP H H 1 7.312 0.020 . 1 . . . . . 134 ASP H . 51197 1 380 . 1 . 1 134 134 ASP C C 13 176.689 0.3 . 1 . . . . . 134 ASP C . 51197 1 381 . 1 . 1 134 134 ASP CA C 13 56.265 0.3 . 1 . . . . . 134 ASP CA . 51197 1 382 . 1 . 1 134 134 ASP CB C 13 39.770 0.3 . 1 . . . . . 134 ASP CB . 51197 1 383 . 1 . 1 134 134 ASP N N 15 119.040 0.3 . 1 . . . . . 134 ASP N . 51197 1 384 . 1 . 1 142 142 GLU H H 1 8.272 0.020 . 1 . . . . . 142 GLU H . 51197 1 385 . 1 . 1 142 142 GLU CA C 13 54.410 0.3 . 1 . . . . . 142 GLU CA . 51197 1 386 . 1 . 1 142 142 GLU CB C 13 30.424 0.3 . 1 . . . . . 142 GLU CB . 51197 1 387 . 1 . 1 142 142 GLU N N 15 115.431 0.3 . 1 . . . . . 142 GLU N . 51197 1 388 . 1 . 1 143 143 TYR H H 1 8.282 0.020 . 1 . . . . . 143 TYR H . 51197 1 389 . 1 . 1 143 143 TYR C C 13 173.801 0.3 . 1 . . . . . 143 TYR C . 51197 1 390 . 1 . 1 143 143 TYR CA C 13 59.692 0.3 . 1 . . . . . 143 TYR CA . 51197 1 391 . 1 . 1 143 143 TYR CB C 13 37.570 0.3 . 1 . . . . . 143 TYR CB . 51197 1 392 . 1 . 1 143 143 TYR N N 15 125.750 0.3 . 1 . . . . . 143 TYR N . 51197 1 393 . 1 . 1 144 144 GLU H H 1 7.218 0.020 . 1 . . . . . 144 GLU H . 51197 1 394 . 1 . 1 144 144 GLU C C 13 173.726 0.3 . 1 . . . . . 144 GLU C . 51197 1 395 . 1 . 1 144 144 GLU CA C 13 53.687 0.3 . 1 . . . . . 144 GLU CA . 51197 1 396 . 1 . 1 144 144 GLU CB C 13 32.151 0.3 . 1 . . . . . 144 GLU CB . 51197 1 397 . 1 . 1 144 144 GLU N N 15 125.752 0.3 . 1 . . . . . 144 GLU N . 51197 1 398 . 1 . 1 145 145 GLN H H 1 8.109 0.020 . 1 . . . . . 145 GLN H . 51197 1 399 . 1 . 1 145 145 GLN C C 13 175.916 0.3 . 1 . . . . . 145 GLN C . 51197 1 400 . 1 . 1 145 145 GLN CA C 13 54.347 0.3 . 1 . . . . . 145 GLN CA . 51197 1 401 . 1 . 1 145 145 GLN CB C 13 31.052 0.3 . 1 . . . . . 145 GLN CB . 51197 1 402 . 1 . 1 145 145 GLN N N 15 119.997 0.3 . 1 . . . . . 145 GLN N . 51197 1 403 . 1 . 1 148 148 LYS H H 1 7.531 0.020 . 1 . . . . . 148 LYS H . 51197 1 404 . 1 . 1 148 148 LYS C C 13 175.471 0.3 . 1 . . . . . 148 LYS C . 51197 1 405 . 1 . 1 148 148 LYS CA C 13 53.907 0.3 . 1 . . . . . 148 LYS CA . 51197 1 406 . 1 . 1 148 148 LYS CB C 13 33.015 0.3 . 1 . . . . . 148 LYS CB . 51197 1 407 . 1 . 1 148 148 LYS N N 15 121.220 0.3 . 1 . . . . . 148 LYS N . 51197 1 408 . 1 . 1 149 149 ARG H H 1 8.610 0.020 . 1 . . . . . 149 ARG H . 51197 1 409 . 1 . 1 149 149 ARG C C 13 175.897 0.3 . 1 . . . . . 149 ARG C . 51197 1 410 . 1 . 1 149 149 ARG CA C 13 56.328 0.3 . 1 . . . . . 149 ARG CA . 51197 1 411 . 1 . 1 149 149 ARG CB C 13 28.853 0.3 . 1 . . . . . 149 ARG CB . 51197 1 412 . 1 . 1 149 149 ARG N N 15 126.377 0.3 . 1 . . . . . 149 ARG N . 51197 1 413 . 1 . 1 150 150 MET H H 1 8.806 0.020 . 1 . . . . . 150 MET H . 51197 1 414 . 1 . 1 150 150 MET C C 13 185.212 0.3 . 1 . . . . . 150 MET C . 51197 1 415 . 1 . 1 150 150 MET CA C 13 51.612 0.3 . 1 . . . . . 150 MET CA . 51197 1 416 . 1 . 1 150 150 MET CB C 13 33.408 0.3 . 1 . . . . . 150 MET CB . 51197 1 417 . 1 . 1 150 150 MET N N 15 127.627 0.3 . 1 . . . . . 150 MET N . 51197 1 418 . 1 . 1 152 152 ASN H H 1 8.838 0.020 . 1 . . . . . 152 ASN H . 51197 1 419 . 1 . 1 152 152 ASN C C 13 176.997 0.3 . 1 . . . . . 152 ASN C . 51197 1 420 . 1 . 1 152 152 ASN CA C 13 52.052 0.3 . 1 . . . . . 152 ASN CA . 51197 1 421 . 1 . 1 152 152 ASN CB C 13 37.492 0.3 . 1 . . . . . 152 ASN CB . 51197 1 422 . 1 . 1 152 152 ASN N N 15 117.156 0.3 . 1 . . . . . 152 ASN N . 51197 1 423 . 1 . 1 153 153 LEU H H 1 6.624 0.020 . 1 . . . . . 153 LEU H . 51197 1 424 . 1 . 1 153 153 LEU C C 13 177.525 0.3 . 1 . . . . . 153 LEU C . 51197 1 425 . 1 . 1 153 153 LEU CA C 13 57.806 0.3 . 1 . . . . . 153 LEU CA . 51197 1 426 . 1 . 1 153 153 LEU CB C 13 39.220 0.3 . 1 . . . . . 153 LEU CB . 51197 1 427 . 1 . 1 153 153 LEU N N 15 115.129 0.3 . 1 . . . . . 153 LEU N . 51197 1 428 . 1 . 1 154 154 ALA H H 1 6.897 0.020 . 1 . . . . . 154 ALA H . 51197 1 429 . 1 . 1 154 154 ALA CA C 13 51.360 0.3 . 1 . . . . . 154 ALA CA . 51197 1 430 . 1 . 1 154 154 ALA CB C 13 19.900 0.3 . 1 . . . . . 154 ALA CB . 51197 1 431 . 1 . 1 154 154 ALA N N 15 118.107 0.3 . 1 . . . . . 154 ALA N . 51197 1 432 . 1 . 1 155 155 ASN H H 1 8.160 0.020 . 1 . . . . . 155 ASN H . 51197 1 433 . 1 . 1 155 155 ASN C C 13 174.161 0.3 . 1 . . . . . 155 ASN C . 51197 1 434 . 1 . 1 155 155 ASN CA C 13 52.272 0.3 . 1 . . . . . 155 ASN CA . 51197 1 435 . 1 . 1 155 155 ASN CB C 13 36.157 0.3 . 1 . . . . . 155 ASN CB . 51197 1 436 . 1 . 1 155 155 ASN N N 15 121.837 0.3 . 1 . . . . . 155 ASN N . 51197 1 437 . 1 . 1 156 156 LYS H H 1 7.773 0.020 . 1 . . . . . 156 LYS H . 51197 1 438 . 1 . 1 156 156 LYS C C 13 172.948 0.3 . 1 . . . . . 156 LYS C . 51197 1 439 . 1 . 1 156 156 LYS CA C 13 54.158 0.3 . 1 . . . . . 156 LYS CA . 51197 1 440 . 1 . 1 156 156 LYS CB C 13 35.843 0.3 . 1 . . . . . 156 LYS CB . 51197 1 441 . 1 . 1 156 156 LYS N N 15 119.189 0.3 . 1 . . . . . 156 LYS N . 51197 1 442 . 1 . 1 157 157 VAL H H 1 7.969 0.020 . 1 . . . . . 157 VAL H . 51197 1 443 . 1 . 1 157 157 VAL C C 13 176.337 0.3 . 1 . . . . . 157 VAL C . 51197 1 444 . 1 . 1 157 157 VAL CA C 13 61.202 0.3 . 1 . . . . . 157 VAL CA . 51197 1 445 . 1 . 1 157 157 VAL CB C 13 30.267 0.3 . 1 . . . . . 157 VAL CB . 51197 1 446 . 1 . 1 157 157 VAL N N 15 122.470 0.3 . 1 . . . . . 157 VAL N . 51197 1 447 . 1 . 1 159 159 ASP H H 1 9.205 0.020 . 1 . . . . . 159 ASP H . 51197 1 448 . 1 . 1 159 159 ASP C C 13 177.657 0.3 . 1 . . . . . 159 ASP C . 51197 1 449 . 1 . 1 159 159 ASP CA C 13 54.190 0.3 . 1 . . . . . 159 ASP CA . 51197 1 450 . 1 . 1 159 159 ASP CB C 13 39.691 0.3 . 1 . . . . . 159 ASP CB . 51197 1 451 . 1 . 1 159 159 ASP N N 15 119.658 0.3 . 1 . . . . . 159 ASP N . 51197 1 452 . 1 . 1 160 160 ASN H H 1 9.011 0.020 . 1 . . . . . 160 ASN H . 51197 1 453 . 1 . 1 160 160 ASN C C 13 177.525 0.3 . 1 . . . . . 160 ASN C . 51197 1 454 . 1 . 1 160 160 ASN CA C 13 56.830 0.3 . 1 . . . . . 160 ASN CA . 51197 1 455 . 1 . 1 160 160 ASN CB C 13 37.413 0.3 . 1 . . . . . 160 ASN CB . 51197 1 456 . 1 . 1 160 160 ASN N N 15 123.097 0.3 . 1 . . . . . 160 ASN N . 51197 1 457 . 1 . 1 161 161 GLU H H 1 10.028 0.020 . 1 . . . . . 161 GLU H . 51197 1 458 . 1 . 1 161 161 GLU C C 13 178.919 0.3 . 1 . . . . . 161 GLU C . 51197 1 459 . 1 . 1 161 161 GLU CA C 13 59.315 0.3 . 1 . . . . . 161 GLU CA . 51197 1 460 . 1 . 1 161 161 GLU CB C 13 27.518 0.3 . 1 . . . . . 161 GLU CB . 51197 1 461 . 1 . 1 161 161 GLU N N 15 118.380 0.3 . 1 . . . . . 161 GLU N . 51197 1 462 . 1 . 1 162 162 LEU H H 1 6.678 0.020 . 1 . . . . . 162 LEU H . 51197 1 463 . 1 . 1 162 162 LEU C C 13 177.320 0.3 . 1 . . . . . 162 LEU C . 51197 1 464 . 1 . 1 162 162 LEU CA C 13 56.517 0.3 . 1 . . . . . 162 LEU CA . 51197 1 465 . 1 . 1 162 162 LEU CB C 13 39.220 0.3 . 1 . . . . . 162 LEU CB . 51197 1 466 . 1 . 1 162 162 LEU N N 15 118.564 0.3 . 1 . . . . . 162 LEU N . 51197 1 467 . 1 . 1 164 164 GLU H H 1 7.979 0.020 . 1 . . . . . 164 GLU H . 51197 1 468 . 1 . 1 164 164 GLU C C 13 177.884 0.3 . 1 . . . . . 164 GLU C . 51197 1 469 . 1 . 1 164 164 GLU CA C 13 59.064 0.3 . 1 . . . . . 164 GLU CA . 51197 1 470 . 1 . 1 164 164 GLU CB C 13 28.539 0.3 . 1 . . . . . 164 GLU CB . 51197 1 471 . 1 . 1 164 164 GLU N N 15 114.501 0.3 . 1 . . . . . 164 GLU N . 51197 1 472 . 1 . 1 165 165 GLU H H 1 8.446 0.020 . 1 . . . . . 165 GLU H . 51197 1 473 . 1 . 1 165 165 GLU C C 13 178.523 0.3 . 1 . . . . . 165 GLU C . 51197 1 474 . 1 . 1 165 165 GLU CA C 13 58.875 0.3 . 1 . . . . . 165 GLU CA . 51197 1 475 . 1 . 1 165 165 GLU N N 15 120.439 0.3 . 1 . . . . . 165 GLU N . 51197 1 476 . 1 . 1 166 166 LEU H H 1 7.742 0.020 . 1 . . . . . 166 LEU H . 51197 1 477 . 1 . 1 166 166 LEU C C 13 179.506 0.3 . 1 . . . . . 166 LEU C . 51197 1 478 . 1 . 1 166 166 LEU CA C 13 57.680 0.3 . 1 . . . . . 166 LEU CA . 51197 1 479 . 1 . 1 166 166 LEU CB C 13 40.869 0.3 . 1 . . . . . 166 LEU CB . 51197 1 480 . 1 . 1 166 166 LEU N N 15 121.066 0.3 . 1 . . . . . 166 LEU N . 51197 1 481 . 1 . 1 168 168 ASN H H 1 7.210 0.020 . 1 . . . . . 168 ASN H . 51197 1 482 . 1 . 1 168 168 ASN CA C 13 54.379 0.3 . 1 . . . . . 168 ASN CA . 51197 1 483 . 1 . 1 168 168 ASN CB C 13 38.277 0.3 . 1 . . . . . 168 ASN CB . 51197 1 484 . 1 . 1 168 168 ASN N N 15 114.627 0.3 . 1 . . . . . 168 ASN N . 51197 1 485 . 1 . 1 169 169 LEU H H 1 8.188 0.020 . 1 . . . . . 169 LEU H . 51197 1 486 . 1 . 1 169 169 LEU CA C 13 53.247 0.3 . 1 . . . . . 169 LEU CA . 51197 1 487 . 1 . 1 169 169 LEU CB C 13 42.204 0.3 . 1 . . . . . 169 LEU CB . 51197 1 488 . 1 . 1 169 169 LEU N N 15 122.783 0.3 . 1 . . . . . 169 LEU N . 51197 1 489 . 1 . 1 170 170 SER H H 1 7.093 0.020 . 1 . . . . . 170 SER H . 51197 1 490 . 1 . 1 170 170 SER C C 13 172.083 0.3 . 1 . . . . . 170 SER C . 51197 1 491 . 1 . 1 170 170 SER CA C 13 57.429 0.3 . 1 . . . . . 170 SER CA . 51197 1 492 . 1 . 1 170 170 SER CB C 13 63.959 0.3 . 1 . . . . . 170 SER CB . 51197 1 493 . 1 . 1 170 170 SER N N 15 110.437 0.3 . 1 . . . . . 170 SER N . 51197 1 494 . 1 . 1 171 171 PHE H H 1 7.812 0.020 . 1 . . . . . 171 PHE H . 51197 1 495 . 1 . 1 171 171 PHE C C 13 175.369 0.3 . 1 . . . . . 171 PHE C . 51197 1 496 . 1 . 1 171 171 PHE CA C 13 55.825 0.3 . 1 . . . . . 171 PHE CA . 51197 1 497 . 1 . 1 171 171 PHE CB C 13 41.576 0.3 . 1 . . . . . 171 PHE CB . 51197 1 498 . 1 . 1 171 171 PHE N N 15 122.783 0.3 . 1 . . . . . 171 PHE N . 51197 1 499 . 1 . 1 175 175 GLY H H 1 8.197 0.020 . 1 . . . . . 175 GLY H . 51197 1 500 . 1 . 1 175 175 GLY CA C 13 43.374 0.3 . 1 . . . . . 175 GLY CA . 51197 1 501 . 1 . 1 175 175 GLY N N 15 111.793 0.3 . 1 . . . . . 175 GLY N . 51197 1 502 . 1 . 1 176 176 HIS H H 1 8.240 0.020 . 1 . . . . . 176 HIS H . 51197 1 503 . 1 . 1 176 176 HIS C C 13 178.435 0.3 . 1 . . . . . 176 HIS C . 51197 1 504 . 1 . 1 176 176 HIS CA C 13 57.900 0.3 . 1 . . . . . 176 HIS CA . 51197 1 505 . 1 . 1 176 176 HIS CB C 13 31.052 0.3 . 1 . . . . . 176 HIS CB . 51197 1 506 . 1 . 1 176 176 HIS N N 15 121.208 0.3 . 1 . . . . . 176 HIS N . 51197 1 507 . 1 . 1 184 184 SER H H 1 9.198 0.020 . 1 . . . . . 184 SER H . 51197 1 508 . 1 . 1 184 184 SER CA C 13 61.673 0.3 . 1 . . . . . 184 SER CA . 51197 1 509 . 1 . 1 184 184 SER N N 15 117.921 0.3 . 1 . . . . . 184 SER N . 51197 1 510 . 1 . 1 185 185 ILE H H 1 8.815 0.020 . 1 . . . . . 185 ILE H . 51197 1 511 . 1 . 1 185 185 ILE C C 13 181.149 0.3 . 1 . . . . . 185 ILE C . 51197 1 512 . 1 . 1 185 185 ILE CA C 13 61.296 0.3 . 1 . . . . . 185 ILE CA . 51197 1 513 . 1 . 1 185 185 ILE CB C 13 37.728 0.3 . 1 . . . . . 185 ILE CB . 51197 1 514 . 1 . 1 185 185 ILE N N 15 121.933 0.3 . 1 . . . . . 185 ILE N . 51197 1 515 . 1 . 1 190 190 GLU H H 1 8.205 0.020 . 1 . . . . . 190 GLU H . 51197 1 516 . 1 . 1 190 190 GLU C C 13 179.095 0.3 . 1 . . . . . 190 GLU C . 51197 1 517 . 1 . 1 190 190 GLU CB C 13 27.282 0.3 . 1 . . . . . 190 GLU CB . 51197 1 518 . 1 . 1 190 190 GLU N N 15 123.565 0.3 . 1 . . . . . 190 GLU N . 51197 1 519 . 1 . 1 191 191 GLN H H 1 6.544 0.020 . 1 . . . . . 191 GLN H . 51197 1 520 . 1 . 1 191 191 GLN C C 13 175.897 0.3 . 1 . . . . . 191 GLN C . 51197 1 521 . 1 . 1 191 191 GLN CA C 13 55.479 0.3 . 1 . . . . . 191 GLN CA . 51197 1 522 . 1 . 1 191 191 GLN CB C 13 27.518 0.3 . 1 . . . . . 191 GLN CB . 51197 1 523 . 1 . 1 191 191 GLN N N 15 115.129 0.3 . 1 . . . . . 191 GLN N . 51197 1 524 . 1 . 1 192 192 GLY H H 1 7.316 0.020 . 1 . . . . . 192 GLY H . 51197 1 525 . 1 . 1 192 192 GLY CA C 13 43.405 0.3 . 1 . . . . . 192 GLY CA . 51197 1 526 . 1 . 1 192 192 GLY N N 15 107.478 0.3 . 1 . . . . . 192 GLY N . 51197 1 527 . 1 . 1 193 193 GLU H H 1 7.647 0.020 . 1 . . . . . 193 GLU H . 51197 1 528 . 1 . 1 193 193 GLU C C 13 177.047 0.3 . 1 . . . . . 193 GLU C . 51197 1 529 . 1 . 1 193 193 GLU CA C 13 55.448 0.3 . 1 . . . . . 193 GLU CA . 51197 1 530 . 1 . 1 193 193 GLU CB C 13 28.774 0.3 . 1 . . . . . 193 GLU CB . 51197 1 531 . 1 . 1 193 193 GLU N N 15 119.194 0.3 . 1 . . . . . 193 GLU N . 51197 1 532 . 1 . 1 194 194 VAL H H 1 7.850 0.020 . 1 . . . . . 194 VAL H . 51197 1 533 . 1 . 1 194 194 VAL C C 13 176.792 0.3 . 1 . . . . . 194 VAL C . 51197 1 534 . 1 . 1 194 194 VAL CA C 13 60.038 0.3 . 1 . . . . . 194 VAL CA . 51197 1 535 . 1 . 1 194 194 VAL CB C 13 30.973 0.3 . 1 . . . . . 194 VAL CB . 51197 1 536 . 1 . 1 194 194 VAL N N 15 114.435 0.3 . 1 . . . . . 194 VAL N . 51197 1 537 . 1 . 1 199 199 CYS H H 1 8.314 0.020 . 1 . . . . . 199 CYS H . 51197 1 538 . 1 . 1 199 199 CYS C C 13 176.322 0.3 . 1 . . . . . 199 CYS C . 51197 1 539 . 1 . 1 199 199 CYS CA C 13 62.711 0.3 . 1 . . . . . 199 CYS CA . 51197 1 540 . 1 . 1 199 199 CYS N N 15 114.162 0.3 . 1 . . . . . 199 CYS N . 51197 1 541 . 1 . 1 200 200 GLU H H 1 6.906 0.020 . 1 . . . . . 200 GLU H . 51197 1 542 . 1 . 1 200 200 GLU C C 13 179.858 0.3 . 1 . . . . . 200 GLU C . 51197 1 543 . 1 . 1 200 200 GLU CA C 13 58.215 0.3 . 1 . . . . . 200 GLU CA . 51197 1 544 . 1 . 1 200 200 GLU CB C 13 28.039 0.3 . 1 . . . . . 200 GLU CB . 51197 1 545 . 1 . 1 200 200 GLU N N 15 120.588 0.3 . 1 . . . . . 200 GLU N . 51197 1 546 . 1 . 1 201 201 ARG H H 1 7.773 0.020 . 1 . . . . . 201 ARG H . 51197 1 547 . 1 . 1 201 201 ARG C C 13 177.554 0.3 . 1 . . . . . 201 ARG C . 51197 1 548 . 1 . 1 201 201 ARG CA C 13 57.491 0.3 . 1 . . . . . 201 ARG CA . 51197 1 549 . 1 . 1 201 201 ARG CB C 13 27.910 0.3 . 1 . . . . . 201 ARG CB . 51197 1 550 . 1 . 1 201 201 ARG N N 15 120.596 0.3 . 1 . . . . . 201 ARG N . 51197 1 551 . 1 . 1 202 202 ALA H H 1 7.522 0.020 . 1 . . . . . 202 ALA H . 51197 1 552 . 1 . 1 202 202 ALA CA C 13 51.800 0.3 . 1 . . . . . 202 ALA CA . 51197 1 553 . 1 . 1 202 202 ALA CB C 13 18.722 0.3 . 1 . . . . . 202 ALA CB . 51197 1 554 . 1 . 1 202 202 ALA N N 15 118.876 0.3 . 1 . . . . . 202 ALA N . 51197 1 555 . 1 . 1 210 210 LYS H H 1 8.297 0.020 . 1 . . . . . 210 LYS H . 51197 1 556 . 1 . 1 210 210 LYS C C 13 176.469 0.3 . 1 . . . . . 210 LYS C . 51197 1 557 . 1 . 1 210 210 LYS CA C 13 55.794 0.3 . 1 . . . . . 210 LYS CA . 51197 1 558 . 1 . 1 210 210 LYS CB C 13 31.602 0.3 . 1 . . . . . 210 LYS CB . 51197 1 559 . 1 . 1 210 210 LYS N N 15 122.470 0.3 . 1 . . . . . 210 LYS N . 51197 1 560 . 1 . 1 211 211 LYS H H 1 7.867 0.020 . 1 . . . . . 211 LYS H . 51197 1 561 . 1 . 1 211 211 LYS CB C 13 31.916 0.3 . 1 . . . . . 211 LYS CB . 51197 1 562 . 1 . 1 211 211 LYS N N 15 115.431 0.3 . 1 . . . . . 211 LYS N . 51197 1 563 . 1 . 1 212 212 LYS H H 1 7.891 0.020 . 1 . . . . . 212 LYS H . 51197 1 564 . 1 . 1 212 212 LYS C C 13 181.163 0.3 . 1 . . . . . 212 LYS C . 51197 1 565 . 1 . 1 212 212 LYS CA C 13 57.271 0.3 . 1 . . . . . 212 LYS CA . 51197 1 566 . 1 . 1 212 212 LYS CB C 13 32.230 0.3 . 1 . . . . . 212 LYS CB . 51197 1 567 . 1 . 1 212 212 LYS N N 15 128.878 0.3 . 1 . . . . . 212 LYS N . 51197 1 stop_ save_