data_18598 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18598 _Entry.Title ; Backbone resonance assignments for AgrA LytTR domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-07-17 _Entry.Accession_date 2012-07-17 _Entry.Last_release_date 2013-02-28 _Entry.Original_release_date 2013-02-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Backbone resonance assignments for AgrA LytTR domain' _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.Entry_ID 1 Paul Leonard . G. . 18598 2 David Sidote . J. . 18598 3 Ann Stock . M. . 18598 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Center for Advanced Biotechnology and Medicine' . 18598 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18598 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 302 18598 '15N chemical shifts' 100 18598 '1H chemical shifts' 100 18598 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 . . 2013-02-28 2012-07-17 original author . 18598 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 18598 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23181972 _Citation.Full_citation . _Citation.Title 'Identification of a hydrophobic cleft in the LytTR domain of AgrA as a locus for small molecule interactions that inhibit DNA binding.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 51 _Citation.Journal_issue 50 _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 10035 _Citation.Page_last 10043 _Citation.Year 2012 _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.Entry_ID _Citation_author.Citation_ID 1 Paul Leonard . G. . 18598 1 2 Ian Bezar . F. . 18598 1 3 David Sidote . J. . 18598 1 4 Ann Stock . M. . 18598 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'LytTR domain' 18598 1 'Quorum sensing' 18598 1 'response regulator' 18598 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18598 _Assembly.ID 1 _Assembly.Name 'LytTR domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 12336.8 _Assembly.Enzyme_commission_number . _Assembly.Details Monomer _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 'LytTR domain' 1 $AgrAc A . yes native no no . . . 18598 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 3BS1 . . X-ray 1.60 'Structure of the LytTR domain bound to DNA' . 18598 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID DNA-binding 18598 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AgrAc _Entity.Sf_category entity _Entity.Sf_framecode AgrAc _Entity.Entry_ID 18598 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name AgrAc _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 ; MDNSVETIELKRGSNSVYVQ YDDIMFFESSTKSHRLIAHL DNRQIEFYGNLKELSQLDDR FFRCHNSFVVNRHNIESIDS KERIVYFKNKEHCYASVRNV KKI ; _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 103 _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P0A0I7 . AgrA . . . . . . . . . . . . . . 18598 1 2 no PDB 3BS1 . "Structure Of The Staphylococcus Aureus Agra Lyttr Domain Bound To Dna Reveals A Beta Fold With A Novel Mode Of Binding" . . . . . 100.00 103 100.00 100.00 4.14e-67 . . . . 18598 1 3 no PDB 4G4K . "Structure Of The Staphylococcus Aureus Agra Lyttr Domain" . . . . . 100.00 103 100.00 100.00 4.14e-67 . . . . 18598 1 4 no DBJ BAB43126 . "accessory gene regulator A [Staphylococcus aureus subsp. aureus N315]" . . . . . 99.03 238 100.00 100.00 2.27e-65 . . . . 18598 1 5 no DBJ BAB58201 . "accessory gene regulator A [Staphylococcus aureus subsp. aureus Mu50]" . . . . . 98.06 238 100.00 100.00 9.32e-65 . . . . 18598 1 6 no DBJ BAB95828 . "accessory gene regulator A [Staphylococcus aureus subsp. aureus MW2]" . . . . . 99.03 238 100.00 100.00 2.27e-65 . . . . 18598 1 7 no DBJ BAF68218 . "staphylococcal accessory gene regulator A [Staphylococcus aureus subsp. aureus str. Newman]" . . . . . 99.03 238 100.00 100.00 2.27e-65 . . . . 18598 1 8 no DBJ BAF78907 . "accessory gene regulator A [Staphylococcus aureus subsp. aureus Mu3]" . . . . . 98.06 238 100.00 100.00 9.32e-65 . . . . 18598 1 9 no EMBL CAA36784 . "AgrA protein [Staphylococcus aureus]" . . . . . 99.03 238 100.00 100.00 2.27e-65 . . . . 18598 1 10 no EMBL CAG41107 . "autoinducer sensor protein response regulator protein [Staphylococcus aureus subsp. aureus MRSA252]" . . . . . 99.03 238 100.00 100.00 2.27e-65 . . . . 18598 1 11 no EMBL CAG43751 . "autoinducer sensor protein response regulator protein [Staphylococcus aureus subsp. aureus MSSA476]" . . . . . 99.03 238 100.00 100.00 2.27e-65 . . . . 18598 1 12 no EMBL CAI81612 . "accessory gene regulator A [Staphylococcus aureus RF122]" . . . . . 99.03 238 99.02 99.02 3.18e-64 . . . . 18598 1 13 no EMBL CAQ50464 . "accessory gene regulator protein A [Staphylococcus aureus subsp. aureus ST398]" . . . . . 99.03 238 100.00 100.00 2.27e-65 . . . . 18598 1 14 no GB AAA26597 . "accessory gene regulator protein [Staphylococcus aureus]" . . . . . 99.03 238 100.00 100.00 2.27e-65 . . . . 18598 1 15 no GB AAW36991 . "accessory gene regulator protein A [Staphylococcus aureus subsp. aureus COL]" . . . . . 99.03 238 100.00 100.00 2.27e-65 . . . . 18598 1 16 no GB ABB17358 . "AgrA [Staphylococcus aureus]" . . . . . 99.03 238 100.00 100.00 2.27e-65 . . . . 18598 1 17 no GB ABB17371 . "AgrA [Staphylococcus aureus]" . . . . . 99.03 238 100.00 100.00 2.32e-65 . . . . 18598 1 18 no GB ABB17378 . "AgrA [Staphylococcus aureus]" . . . . . 99.03 238 100.00 100.00 2.74e-65 . . . . 18598 1 19 no REF WP_000688486 . "MULTISPECIES: DNA-binding response regulator [Staphylococcus]" . . . . . 99.03 238 100.00 100.00 2.18e-65 . . . . 18598 1 20 no REF WP_000688487 . "DNA-binding response regulator [Staphylococcus aureus]" . . . . . 99.03 238 100.00 100.00 2.25e-65 . . . . 18598 1 21 no REF WP_000688488 . "DNA-binding response regulator [Staphylococcus aureus]" . . . . . 99.03 238 100.00 100.00 2.83e-65 . . . . 18598 1 22 no REF WP_000688490 . "DNA-binding response regulator [Staphylococcus aureus]" . . . . . 99.03 238 99.02 99.02 5.72e-65 . . . . 18598 1 23 no REF WP_000688492 . "DNA-binding response regulator [Staphylococcus aureus]" . . . . . 99.03 238 100.00 100.00 2.27e-65 . . . . 18598 1 24 no SP P0A0I5 . "RecName: Full=Accessory gene regulator protein A" . . . . . 99.03 238 100.00 100.00 2.27e-65 . . . . 18598 1 25 no SP P0A0I6 . "RecName: Full=Accessory gene regulator protein A" . . . . . 99.03 238 100.00 100.00 2.27e-65 . . . . 18598 1 26 no SP P0A0I7 . "RecName: Full=Accessory gene regulator protein A" . . . . . 99.03 238 100.00 100.00 2.27e-65 . . . . 18598 1 27 no SP Q5HEG2 . "RecName: Full=Accessory gene regulator A" . . . . . 99.03 238 100.00 100.00 2.27e-65 . . . . 18598 1 28 no SP Q6G7R8 . "RecName: Full=Accessory gene regulator protein A" . . . . . 99.03 238 100.00 100.00 2.27e-65 . . . . 18598 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID DNA-binding 18598 1 'Response regulator' 18598 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 136 MET . 18598 1 2 137 ASP . 18598 1 3 138 ASN . 18598 1 4 139 SER . 18598 1 5 140 VAL . 18598 1 6 141 GLU . 18598 1 7 142 THR . 18598 1 8 143 ILE . 18598 1 9 144 GLU . 18598 1 10 145 LEU . 18598 1 11 146 LYS . 18598 1 12 147 ARG . 18598 1 13 148 GLY . 18598 1 14 149 SER . 18598 1 15 150 ASN . 18598 1 16 151 SER . 18598 1 17 152 VAL . 18598 1 18 153 TYR . 18598 1 19 154 VAL . 18598 1 20 155 GLN . 18598 1 21 156 TYR . 18598 1 22 157 ASP . 18598 1 23 158 ASP . 18598 1 24 159 ILE . 18598 1 25 160 MET . 18598 1 26 161 PHE . 18598 1 27 162 PHE . 18598 1 28 163 GLU . 18598 1 29 164 SER . 18598 1 30 165 SER . 18598 1 31 166 THR . 18598 1 32 167 LYS . 18598 1 33 168 SER . 18598 1 34 169 HIS . 18598 1 35 170 ARG . 18598 1 36 171 LEU . 18598 1 37 172 ILE . 18598 1 38 173 ALA . 18598 1 39 174 HIS . 18598 1 40 175 LEU . 18598 1 41 176 ASP . 18598 1 42 177 ASN . 18598 1 43 178 ARG . 18598 1 44 179 GLN . 18598 1 45 180 ILE . 18598 1 46 181 GLU . 18598 1 47 182 PHE . 18598 1 48 183 TYR . 18598 1 49 184 GLY . 18598 1 50 185 ASN . 18598 1 51 186 LEU . 18598 1 52 187 LYS . 18598 1 53 188 GLU . 18598 1 54 189 LEU . 18598 1 55 190 SER . 18598 1 56 191 GLN . 18598 1 57 192 LEU . 18598 1 58 193 ASP . 18598 1 59 194 ASP . 18598 1 60 195 ARG . 18598 1 61 196 PHE . 18598 1 62 197 PHE . 18598 1 63 198 ARG . 18598 1 64 199 CYS . 18598 1 65 200 HIS . 18598 1 66 201 ASN . 18598 1 67 202 SER . 18598 1 68 203 PHE . 18598 1 69 204 VAL . 18598 1 70 205 VAL . 18598 1 71 206 ASN . 18598 1 72 207 ARG . 18598 1 73 208 HIS . 18598 1 74 209 ASN . 18598 1 75 210 ILE . 18598 1 76 211 GLU . 18598 1 77 212 SER . 18598 1 78 213 ILE . 18598 1 79 214 ASP . 18598 1 80 215 SER . 18598 1 81 216 LYS . 18598 1 82 217 GLU . 18598 1 83 218 ARG . 18598 1 84 219 ILE . 18598 1 85 220 VAL . 18598 1 86 221 TYR . 18598 1 87 222 PHE . 18598 1 88 223 LYS . 18598 1 89 224 ASN . 18598 1 90 225 LYS . 18598 1 91 226 GLU . 18598 1 92 227 HIS . 18598 1 93 228 CYS . 18598 1 94 229 TYR . 18598 1 95 230 ALA . 18598 1 96 231 SER . 18598 1 97 232 VAL . 18598 1 98 233 ARG . 18598 1 99 234 ASN . 18598 1 100 235 VAL . 18598 1 101 236 LYS . 18598 1 102 237 LYS . 18598 1 103 238 ILE . 18598 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 18598 1 . ASP 2 2 18598 1 . ASN 3 3 18598 1 . SER 4 4 18598 1 . VAL 5 5 18598 1 . GLU 6 6 18598 1 . THR 7 7 18598 1 . ILE 8 8 18598 1 . GLU 9 9 18598 1 . LEU 10 10 18598 1 . LYS 11 11 18598 1 . ARG 12 12 18598 1 . GLY 13 13 18598 1 . SER 14 14 18598 1 . ASN 15 15 18598 1 . SER 16 16 18598 1 . VAL 17 17 18598 1 . TYR 18 18 18598 1 . VAL 19 19 18598 1 . GLN 20 20 18598 1 . TYR 21 21 18598 1 . ASP 22 22 18598 1 . ASP 23 23 18598 1 . ILE 24 24 18598 1 . MET 25 25 18598 1 . PHE 26 26 18598 1 . PHE 27 27 18598 1 . GLU 28 28 18598 1 . SER 29 29 18598 1 . SER 30 30 18598 1 . THR 31 31 18598 1 . LYS 32 32 18598 1 . SER 33 33 18598 1 . HIS 34 34 18598 1 . ARG 35 35 18598 1 . LEU 36 36 18598 1 . ILE 37 37 18598 1 . ALA 38 38 18598 1 . HIS 39 39 18598 1 . LEU 40 40 18598 1 . ASP 41 41 18598 1 . ASN 42 42 18598 1 . ARG 43 43 18598 1 . GLN 44 44 18598 1 . ILE 45 45 18598 1 . GLU 46 46 18598 1 . PHE 47 47 18598 1 . TYR 48 48 18598 1 . GLY 49 49 18598 1 . ASN 50 50 18598 1 . LEU 51 51 18598 1 . LYS 52 52 18598 1 . GLU 53 53 18598 1 . LEU 54 54 18598 1 . SER 55 55 18598 1 . GLN 56 56 18598 1 . LEU 57 57 18598 1 . ASP 58 58 18598 1 . ASP 59 59 18598 1 . ARG 60 60 18598 1 . PHE 61 61 18598 1 . PHE 62 62 18598 1 . ARG 63 63 18598 1 . CYS 64 64 18598 1 . HIS 65 65 18598 1 . ASN 66 66 18598 1 . SER 67 67 18598 1 . PHE 68 68 18598 1 . VAL 69 69 18598 1 . VAL 70 70 18598 1 . ASN 71 71 18598 1 . ARG 72 72 18598 1 . HIS 73 73 18598 1 . ASN 74 74 18598 1 . ILE 75 75 18598 1 . GLU 76 76 18598 1 . SER 77 77 18598 1 . ILE 78 78 18598 1 . ASP 79 79 18598 1 . SER 80 80 18598 1 . LYS 81 81 18598 1 . GLU 82 82 18598 1 . ARG 83 83 18598 1 . ILE 84 84 18598 1 . VAL 85 85 18598 1 . TYR 86 86 18598 1 . PHE 87 87 18598 1 . LYS 88 88 18598 1 . ASN 89 89 18598 1 . LYS 90 90 18598 1 . GLU 91 91 18598 1 . HIS 92 92 18598 1 . CYS 93 93 18598 1 . TYR 94 94 18598 1 . ALA 95 95 18598 1 . SER 96 96 18598 1 . VAL 97 97 18598 1 . ARG 98 98 18598 1 . ASN 99 99 18598 1 . VAL 100 100 18598 1 . LYS 101 101 18598 1 . LYS 102 102 18598 1 . ILE 103 103 18598 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 18598 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $AgrAc . 1280 organism . 'Staphylococcus aureus' 'Staphylococcus aureus' . . Bacteria . Staphylococcus aureus . . . . . . . . . . . . . . . . agrA . . . . 18598 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 18598 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $AgrAc . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3) pLysS' . . . . . . . . . . . . . . . pET9a . . . . . . 18598 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18598 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM AgrA LytTR domain (residues Asp137-Ile238)' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 AgrAc '[U-100% 13C; U-100% 15N]' . . 1 $AgrAc . . 1 . . mM . . . . 18598 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18598 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 18598 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 18598 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20 mM sodium phosphate, 100 mM NaCl and 5% D2O at pH 5.8' 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' 0.15 . M 18598 1 pH 5.8 . pH 18598 1 pressure 1 . atm 18598 1 temperature 293.15 . K 18598 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 18598 _Software.ID 1 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18598 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18598 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18598 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18598 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18598 2 stop_ save_ save_CcpNMR_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNMR_Analysis _Software.Entry_ID 18598 _Software.ID 3 _Software.Name ANALYSIS _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 18598 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18598 3 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 18598 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18598 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 18598 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 18598 _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 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18598 1 2 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18598 1 3 '3D HN(CO)CA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18598 1 4 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18598 1 5 '3D HBHA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18598 1 6 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18598 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 18598 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 18598 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18598 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18598 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18598 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 18598 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 18598 1 2 '3D HNCA' . . . 18598 1 3 '3D HN(CO)CA' . . . 18598 1 4 '3D HNCACB' . . . 18598 1 5 '3D HBHA(CO)NH' . . . 18598 1 6 '3D HNCO' . . . 18598 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ASP CA C 13 54.42 0.2 . 1 . . . . 137 ASP CA . 18598 1 2 . 1 1 2 2 ASP CB C 13 41.27 0.2 . 1 . . . . 137 ASP CB . 18598 1 3 . 1 1 3 3 ASN H H 1 8.59 0.02 . 1 . . . . 138 ASN H . 18598 1 4 . 1 1 3 3 ASN C C 13 175.39 0.2 . 1 . . . . 138 ASN C . 18598 1 5 . 1 1 3 3 ASN CA C 13 53.41 0.2 . 1 . . . . 138 ASN CA . 18598 1 6 . 1 1 3 3 ASN CB C 13 38.79 0.2 . 1 . . . . 138 ASN CB . 18598 1 7 . 1 1 3 3 ASN N N 15 120.11 0.2 . 1 . . . . 138 ASN N . 18598 1 8 . 1 1 4 4 SER H H 1 8.46 0.02 . 1 . . . . 139 SER H . 18598 1 9 . 1 1 4 4 SER C C 13 175.44 0.2 . 1 . . . . 139 SER C . 18598 1 10 . 1 1 4 4 SER CA C 13 58.96 0.2 . 1 . . . . 139 SER CA . 18598 1 11 . 1 1 4 4 SER CB C 13 63.73 0.2 . 1 . . . . 139 SER CB . 18598 1 12 . 1 1 4 4 SER N N 15 116.80 0.2 . 1 . . . . 139 SER N . 18598 1 13 . 1 1 5 5 VAL H H 1 8.04 0.02 . 1 . . . . 140 VAL H . 18598 1 14 . 1 1 5 5 VAL C C 13 175.99 0.2 . 1 . . . . 140 VAL C . 18598 1 15 . 1 1 5 5 VAL CA C 13 62.78 0.2 . 1 . . . . 140 VAL CA . 18598 1 16 . 1 1 5 5 VAL CB C 13 32.46 0.2 . 1 . . . . 140 VAL CB . 18598 1 17 . 1 1 5 5 VAL N N 15 120.93 0.2 . 1 . . . . 140 VAL N . 18598 1 18 . 1 1 6 6 GLU H H 1 8.29 0.02 . 1 . . . . 141 GLU H . 18598 1 19 . 1 1 6 6 GLU C C 13 174.98 0.2 . 1 . . . . 141 GLU C . 18598 1 20 . 1 1 6 6 GLU CA C 13 55.24 0.2 . 1 . . . . 141 GLU CA . 18598 1 21 . 1 1 6 6 GLU CB C 13 28.92 0.2 . 1 . . . . 141 GLU CB . 18598 1 22 . 1 1 6 6 GLU N N 15 122.58 0.2 . 1 . . . . 141 GLU N . 18598 1 23 . 1 1 7 7 THR H H 1 7.35 0.02 . 1 . . . . 142 THR H . 18598 1 24 . 1 1 7 7 THR C C 13 176.49 0.2 . 1 . . . . 142 THR C . 18598 1 25 . 1 1 7 7 THR CA C 13 61.14 0.2 . 1 . . . . 142 THR CA . 18598 1 26 . 1 1 7 7 THR CB C 13 71.41 0.2 . 1 . . . . 142 THR CB . 18598 1 27 . 1 1 7 7 THR N N 15 113.53 0.2 . 1 . . . . 142 THR N . 18598 1 28 . 1 1 8 8 ILE H H 1 9.48 0.02 . 1 . . . . 143 ILE H . 18598 1 29 . 1 1 8 8 ILE C C 13 177.36 0.2 . 1 . . . . 143 ILE C . 18598 1 30 . 1 1 8 8 ILE CA C 13 59.12 0.2 . 1 . . . . 143 ILE CA . 18598 1 31 . 1 1 8 8 ILE CB C 13 42.26 0.2 . 1 . . . . 143 ILE CB . 18598 1 32 . 1 1 8 8 ILE N N 15 125.38 0.2 . 1 . . . . 143 ILE N . 18598 1 33 . 1 1 9 9 GLU H H 1 8.37 0.02 . 1 . . . . 144 GLU H . 18598 1 34 . 1 1 9 9 GLU C C 13 178.76 0.2 . 1 . . . . 144 GLU C . 18598 1 35 . 1 1 9 9 GLU CA C 13 54.68 0.2 . 1 . . . . 144 GLU CA . 18598 1 36 . 1 1 9 9 GLU CB C 13 30.55 0.2 . 1 . . . . 144 GLU CB . 18598 1 37 . 1 1 9 9 GLU N N 15 127.56 0.2 . 1 . . . . 144 GLU N . 18598 1 38 . 1 1 10 10 LEU H H 1 9.03 0.02 . 1 . . . . 145 LEU H . 18598 1 39 . 1 1 10 10 LEU C C 13 173.43 0.2 . 1 . . . . 145 LEU C . 18598 1 40 . 1 1 10 10 LEU CA C 13 52.73 0.2 . 1 . . . . 145 LEU CA . 18598 1 41 . 1 1 10 10 LEU CB C 13 38.95 0.2 . 1 . . . . 145 LEU CB . 18598 1 42 . 1 1 10 10 LEU N N 15 128.60 0.2 . 1 . . . . 145 LEU N . 18598 1 43 . 1 1 11 11 LYS H H 1 8.77 0.02 . 1 . . . . 146 LYS H . 18598 1 44 . 1 1 11 11 LYS C C 13 175.35 0.2 . 1 . . . . 146 LYS C . 18598 1 45 . 1 1 11 11 LYS CA C 13 57.51 0.2 . 1 . . . . 146 LYS CA . 18598 1 46 . 1 1 11 11 LYS CB C 13 33.17 0.2 . 1 . . . . 146 LYS CB . 18598 1 47 . 1 1 11 11 LYS N N 15 125.99 0.2 . 1 . . . . 146 LYS N . 18598 1 48 . 1 1 12 12 ARG H H 1 8.57 0.02 . 1 . . . . 147 ARG H . 18598 1 49 . 1 1 12 12 ARG C C 13 175.12 0.2 . 1 . . . . 147 ARG C . 18598 1 50 . 1 1 12 12 ARG CA C 13 55.94 0.2 . 1 . . . . 147 ARG CA . 18598 1 51 . 1 1 12 12 ARG CB C 13 31.48 0.2 . 1 . . . . 147 ARG CB . 18598 1 52 . 1 1 12 12 ARG N N 15 124.16 0.2 . 1 . . . . 147 ARG N . 18598 1 53 . 1 1 13 13 GLY H H 1 8.63 0.02 . 1 . . . . 148 GLY H . 18598 1 54 . 1 1 13 13 GLY C C 13 174.67 0.2 . 1 . . . . 148 GLY C . 18598 1 55 . 1 1 13 13 GLY CA C 13 46.94 0.2 . 1 . . . . 148 GLY CA . 18598 1 56 . 1 1 13 13 GLY N N 15 112.38 0.2 . 1 . . . . 148 GLY N . 18598 1 57 . 1 1 14 14 SER H H 1 8.66 0.02 . 1 . . . . 149 SER H . 18598 1 58 . 1 1 14 14 SER C C 13 175.94 0.2 . 1 . . . . 149 SER C . 18598 1 59 . 1 1 14 14 SER CA C 13 58.83 0.2 . 1 . . . . 149 SER CA . 18598 1 60 . 1 1 14 14 SER CB C 13 63.64 0.2 . 1 . . . . 149 SER CB . 18598 1 61 . 1 1 14 14 SER N N 15 118.97 0.2 . 1 . . . . 149 SER N . 18598 1 62 . 1 1 15 15 ASN H H 1 7.86 0.02 . 1 . . . . 150 ASN H . 18598 1 63 . 1 1 15 15 ASN C C 13 177.53 0.2 . 1 . . . . 150 ASN C . 18598 1 64 . 1 1 15 15 ASN CA C 13 52.60 0.2 . 1 . . . . 150 ASN CA . 18598 1 65 . 1 1 15 15 ASN CB C 13 40.51 0.2 . 1 . . . . 150 ASN CB . 18598 1 66 . 1 1 15 15 ASN N N 15 118.13 0.2 . 1 . . . . 150 ASN N . 18598 1 67 . 1 1 16 16 SER H H 1 8.53 0.02 . 1 . . . . 151 SER H . 18598 1 68 . 1 1 16 16 SER C C 13 177.53 0.2 . 1 . . . . 151 SER C . 18598 1 69 . 1 1 16 16 SER CA C 13 58.04 0.2 . 1 . . . . 151 SER CA . 18598 1 70 . 1 1 16 16 SER CB C 13 65.88 0.2 . 1 . . . . 151 SER CB . 18598 1 71 . 1 1 16 16 SER N N 15 116.28 0.2 . 1 . . . . 151 SER N . 18598 1 72 . 1 1 17 17 VAL H H 1 8.13 0.02 . 1 . . . . 152 VAL H . 18598 1 73 . 1 1 17 17 VAL C C 13 178.19 0.2 . 1 . . . . 152 VAL C . 18598 1 74 . 1 1 17 17 VAL CA C 13 60.53 0.2 . 1 . . . . 152 VAL CA . 18598 1 75 . 1 1 17 17 VAL CB C 13 34.98 0.2 . 1 . . . . 152 VAL CB . 18598 1 76 . 1 1 17 17 VAL N N 15 120.58 0.2 . 1 . . . . 152 VAL N . 18598 1 77 . 1 1 18 18 TYR H H 1 8.76 0.02 . 1 . . . . 153 TYR H . 18598 1 78 . 1 1 18 18 TYR C C 13 177.45 0.2 . 1 . . . . 153 TYR C . 18598 1 79 . 1 1 18 18 TYR CA C 13 57.29 0.2 . 1 . . . . 153 TYR CA . 18598 1 80 . 1 1 18 18 TYR CB C 13 39.32 0.2 . 1 . . . . 153 TYR CB . 18598 1 81 . 1 1 18 18 TYR N N 15 125.53 0.2 . 1 . . . . 153 TYR N . 18598 1 82 . 1 1 19 19 VAL H H 1 8.59 0.02 . 1 . . . . 154 VAL H . 18598 1 83 . 1 1 19 19 VAL C C 13 174.75 0.2 . 1 . . . . 154 VAL C . 18598 1 84 . 1 1 19 19 VAL CA C 13 58.94 0.2 . 1 . . . . 154 VAL CA . 18598 1 85 . 1 1 19 19 VAL CB C 13 35.07 0.2 . 1 . . . . 154 VAL CB . 18598 1 86 . 1 1 19 19 VAL N N 15 117.67 0.2 . 1 . . . . 154 VAL N . 18598 1 87 . 1 1 20 20 GLN H H 1 8.77 0.02 . 1 . . . . 155 GLN H . 18598 1 88 . 1 1 20 20 GLN C C 13 176.25 0.2 . 1 . . . . 155 GLN C . 18598 1 89 . 1 1 20 20 GLN CA C 13 54.67 0.2 . 1 . . . . 155 GLN CA . 18598 1 90 . 1 1 20 20 GLN CB C 13 29.75 0.2 . 1 . . . . 155 GLN CB . 18598 1 91 . 1 1 20 20 GLN N N 15 121.14 0.2 . 1 . . . . 155 GLN N . 18598 1 92 . 1 1 21 21 TYR H H 1 8.83 0.02 . 1 . . . . 156 TYR H . 18598 1 93 . 1 1 21 21 TYR C C 13 172.04 0.2 . 1 . . . . 156 TYR C . 18598 1 94 . 1 1 21 21 TYR CA C 13 58.75 0.2 . 1 . . . . 156 TYR CA . 18598 1 95 . 1 1 21 21 TYR CB C 13 38.09 0.2 . 1 . . . . 156 TYR CB . 18598 1 96 . 1 1 21 21 TYR N N 15 120.89 0.2 . 1 . . . . 156 TYR N . 18598 1 97 . 1 1 22 22 ASP H H 1 9.01 0.02 . 1 . . . . 157 ASP H . 18598 1 98 . 1 1 22 22 ASP C C 13 172.41 0.2 . 1 . . . . 157 ASP C . 18598 1 99 . 1 1 22 22 ASP CA C 13 55.07 0.2 . 1 . . . . 157 ASP CA . 18598 1 100 . 1 1 22 22 ASP CB C 13 37.48 0.2 . 1 . . . . 157 ASP CB . 18598 1 101 . 1 1 22 22 ASP N N 15 112.82 0.2 . 1 . . . . 157 ASP N . 18598 1 102 . 1 1 23 23 ASP H H 1 8.01 0.02 . 1 . . . . 158 ASP H . 18598 1 103 . 1 1 23 23 ASP C C 13 173.60 0.2 . 1 . . . . 158 ASP C . 18598 1 104 . 1 1 23 23 ASP CA C 13 55.74 0.2 . 1 . . . . 158 ASP CA . 18598 1 105 . 1 1 23 23 ASP CB C 13 40.87 0.2 . 1 . . . . 158 ASP CB . 18598 1 106 . 1 1 23 23 ASP N N 15 120.29 0.2 . 1 . . . . 158 ASP N . 18598 1 107 . 1 1 24 24 ILE H H 1 7.64 0.02 . 1 . . . . 159 ILE H . 18598 1 108 . 1 1 24 24 ILE C C 13 174.88 0.2 . 1 . . . . 159 ILE C . 18598 1 109 . 1 1 24 24 ILE CA C 13 60.84 0.2 . 1 . . . . 159 ILE CA . 18598 1 110 . 1 1 24 24 ILE CB C 13 38.75 0.2 . 1 . . . . 159 ILE CB . 18598 1 111 . 1 1 24 24 ILE N N 15 117.64 0.2 . 1 . . . . 159 ILE N . 18598 1 112 . 1 1 25 25 MET H H 1 9.42 0.02 . 1 . . . . 160 MET H . 18598 1 113 . 1 1 25 25 MET C C 13 175.35 0.2 . 1 . . . . 160 MET C . 18598 1 114 . 1 1 25 25 MET CA C 13 56.20 0.2 . 1 . . . . 160 MET CA . 18598 1 115 . 1 1 25 25 MET CB C 13 33.48 0.2 . 1 . . . . 160 MET CB . 18598 1 116 . 1 1 25 25 MET N N 15 126.17 0.2 . 1 . . . . 160 MET N . 18598 1 117 . 1 1 26 26 PHE H H 1 6.64 0.02 . 1 . . . . 161 PHE H . 18598 1 118 . 1 1 26 26 PHE C C 13 171.71 0.2 . 1 . . . . 161 PHE C . 18598 1 119 . 1 1 26 26 PHE CA C 13 55.09 0.2 . 1 . . . . 161 PHE CA . 18598 1 120 . 1 1 26 26 PHE CB C 13 40.99 0.2 . 1 . . . . 161 PHE CB . 18598 1 121 . 1 1 26 26 PHE N N 15 107.41 0.2 . 1 . . . . 161 PHE N . 18598 1 122 . 1 1 27 27 PHE H H 1 9.92 0.02 . 1 . . . . 162 PHE H . 18598 1 123 . 1 1 27 27 PHE C C 13 179.03 0.2 . 1 . . . . 162 PHE C . 18598 1 124 . 1 1 27 27 PHE CA C 13 55.95 0.2 . 1 . . . . 162 PHE CA . 18598 1 125 . 1 1 27 27 PHE CB C 13 43.28 0.2 . 1 . . . . 162 PHE CB . 18598 1 126 . 1 1 27 27 PHE N N 15 117.53 0.2 . 1 . . . . 162 PHE N . 18598 1 127 . 1 1 28 28 GLU H H 1 9.33 0.02 . 1 . . . . 163 GLU H . 18598 1 128 . 1 1 28 28 GLU C C 13 176.22 0.2 . 1 . . . . 163 GLU C . 18598 1 129 . 1 1 28 28 GLU CA C 13 53.06 0.2 . 1 . . . . 163 GLU CA . 18598 1 130 . 1 1 28 28 GLU CB C 13 36.23 0.2 . 1 . . . . 163 GLU CB . 18598 1 131 . 1 1 28 28 GLU N N 15 122.53 0.2 . 1 . . . . 163 GLU N . 18598 1 132 . 1 1 29 29 SER H H 1 8.64 0.02 . 1 . . . . 164 SER H . 18598 1 133 . 1 1 29 29 SER C C 13 175.68 0.2 . 1 . . . . 164 SER C . 18598 1 134 . 1 1 29 29 SER CA C 13 58.04 0.2 . 1 . . . . 164 SER CA . 18598 1 135 . 1 1 29 29 SER CB C 13 63.97 0.2 . 1 . . . . 164 SER CB . 18598 1 136 . 1 1 29 29 SER N N 15 119.43 0.2 . 1 . . . . 164 SER N . 18598 1 137 . 1 1 30 30 SER H H 1 8.18 0.02 . 1 . . . . 165 SER H . 18598 1 138 . 1 1 30 30 SER C C 13 177.18 0.2 . 1 . . . . 165 SER C . 18598 1 139 . 1 1 30 30 SER CA C 13 56.74 0.2 . 1 . . . . 165 SER CA . 18598 1 140 . 1 1 30 30 SER CB C 13 64.29 0.2 . 1 . . . . 165 SER CB . 18598 1 141 . 1 1 30 30 SER N N 15 118.11 0.2 . 1 . . . . 165 SER N . 18598 1 142 . 1 1 31 31 THR H H 1 8.38 0.02 . 1 . . . . 166 THR H . 18598 1 143 . 1 1 31 31 THR C C 13 175.68 0.2 . 1 . . . . 166 THR C . 18598 1 144 . 1 1 31 31 THR CA C 13 63.38 0.2 . 1 . . . . 166 THR CA . 18598 1 145 . 1 1 31 31 THR CB C 13 68.92 0.2 . 1 . . . . 166 THR CB . 18598 1 146 . 1 1 31 31 THR N N 15 115.20 0.2 . 1 . . . . 166 THR N . 18598 1 147 . 1 1 32 32 LYS H H 1 8.28 0.02 . 1 . . . . 167 LYS H . 18598 1 148 . 1 1 32 32 LYS C C 13 175.43 0.2 . 1 . . . . 167 LYS C . 18598 1 149 . 1 1 32 32 LYS CA C 13 56.06 0.2 . 1 . . . . 167 LYS CA . 18598 1 150 . 1 1 32 32 LYS CB C 13 33.17 0.2 . 1 . . . . 167 LYS CB . 18598 1 151 . 1 1 32 32 LYS N N 15 121.75 0.2 . 1 . . . . 167 LYS N . 18598 1 152 . 1 1 33 33 SER H H 1 8.07 0.02 . 1 . . . . 168 SER H . 18598 1 153 . 1 1 33 33 SER C C 13 174.66 0.2 . 1 . . . . 168 SER C . 18598 1 154 . 1 1 33 33 SER CA C 13 58.62 0.2 . 1 . . . . 168 SER CA . 18598 1 155 . 1 1 33 33 SER CB C 13 63.90 0.2 . 1 . . . . 168 SER CB . 18598 1 156 . 1 1 33 33 SER N N 15 115.64 0.2 . 1 . . . . 168 SER N . 18598 1 157 . 1 1 34 34 HIS H H 1 8.75 0.02 . 1 . . . . 169 HIS H . 18598 1 158 . 1 1 34 34 HIS C C 13 176.21 0.2 . 1 . . . . 169 HIS C . 18598 1 159 . 1 1 34 34 HIS CA C 13 56.83 0.2 . 1 . . . . 169 HIS CA . 18598 1 160 . 1 1 34 34 HIS CB C 13 27.86 0.2 . 1 . . . . 169 HIS CB . 18598 1 161 . 1 1 34 34 HIS N N 15 117.32 0.2 . 1 . . . . 169 HIS N . 18598 1 162 . 1 1 35 35 ARG H H 1 7.75 0.02 . 1 . . . . 170 ARG H . 18598 1 163 . 1 1 35 35 ARG C C 13 177.11 0.2 . 1 . . . . 170 ARG C . 18598 1 164 . 1 1 35 35 ARG CA C 13 55.05 0.2 . 1 . . . . 170 ARG CA . 18598 1 165 . 1 1 35 35 ARG CB C 13 32.36 0.2 . 1 . . . . 170 ARG CB . 18598 1 166 . 1 1 35 35 ARG N N 15 117.58 0.2 . 1 . . . . 170 ARG N . 18598 1 167 . 1 1 36 36 LEU H H 1 8.61 0.02 . 1 . . . . 171 LEU H . 18598 1 168 . 1 1 36 36 LEU C C 13 175.81 0.2 . 1 . . . . 171 LEU C . 18598 1 169 . 1 1 36 36 LEU CA C 13 52.45 0.2 . 1 . . . . 171 LEU CA . 18598 1 170 . 1 1 36 36 LEU CB C 13 45.56 0.2 . 1 . . . . 171 LEU CB . 18598 1 171 . 1 1 36 36 LEU N N 15 122.14 0.2 . 1 . . . . 171 LEU N . 18598 1 172 . 1 1 37 37 ILE H H 1 9.25 0.02 . 1 . . . . 172 ILE H . 18598 1 173 . 1 1 37 37 ILE C C 13 176.02 0.2 . 1 . . . . 172 ILE C . 18598 1 174 . 1 1 37 37 ILE CA C 13 60.38 0.2 . 1 . . . . 172 ILE CA . 18598 1 175 . 1 1 37 37 ILE CB C 13 40.89 0.2 . 1 . . . . 172 ILE CB . 18598 1 176 . 1 1 37 37 ILE N N 15 117.16 0.2 . 1 . . . . 172 ILE N . 18598 1 177 . 1 1 38 38 ALA H H 1 9.88 0.02 . 1 . . . . 173 ALA H . 18598 1 178 . 1 1 38 38 ALA C C 13 173.57 0.2 . 1 . . . . 173 ALA C . 18598 1 179 . 1 1 38 38 ALA CA C 13 51.04 0.2 . 1 . . . . 173 ALA CA . 18598 1 180 . 1 1 38 38 ALA CB C 13 19.61 0.2 . 1 . . . . 173 ALA CB . 18598 1 181 . 1 1 38 38 ALA N N 15 130.06 0.2 . 1 . . . . 173 ALA N . 18598 1 182 . 1 1 39 39 HIS H H 1 8.65 0.02 . 1 . . . . 174 HIS H . 18598 1 183 . 1 1 39 39 HIS C C 13 175.14 0.2 . 1 . . . . 174 HIS C . 18598 1 184 . 1 1 39 39 HIS CA C 13 55.77 0.2 . 1 . . . . 174 HIS CA . 18598 1 185 . 1 1 39 39 HIS CB C 13 26.39 0.2 . 1 . . . . 174 HIS CB . 18598 1 186 . 1 1 39 39 HIS N N 15 123.47 0.2 . 1 . . . . 174 HIS N . 18598 1 187 . 1 1 40 40 LEU H H 1 8.49 0.02 . 1 . . . . 175 LEU H . 18598 1 188 . 1 1 40 40 LEU C C 13 177.56 0.2 . 1 . . . . 175 LEU C . 18598 1 189 . 1 1 40 40 LEU CA C 13 54.36 0.2 . 1 . . . . 175 LEU CA . 18598 1 190 . 1 1 40 40 LEU CB C 13 41.68 0.2 . 1 . . . . 175 LEU CB . 18598 1 191 . 1 1 40 40 LEU N N 15 126.67 0.2 . 1 . . . . 175 LEU N . 18598 1 192 . 1 1 41 41 ASP H H 1 8.75 0.02 . 1 . . . . 176 ASP H . 18598 1 193 . 1 1 41 41 ASP C C 13 174.76 0.2 . 1 . . . . 176 ASP C . 18598 1 194 . 1 1 41 41 ASP CA C 13 58.58 0.2 . 1 . . . . 176 ASP CA . 18598 1 195 . 1 1 41 41 ASP CB C 13 40.84 0.2 . 1 . . . . 176 ASP CB . 18598 1 196 . 1 1 41 41 ASP N N 15 118.54 0.2 . 1 . . . . 176 ASP N . 18598 1 197 . 1 1 42 42 ASN H H 1 8.65 0.02 . 1 . . . . 177 ASN H . 18598 1 198 . 1 1 42 42 ASN C C 13 173.05 0.2 . 1 . . . . 177 ASN C . 18598 1 199 . 1 1 42 42 ASN CA C 13 52.10 0.2 . 1 . . . . 177 ASN CA . 18598 1 200 . 1 1 42 42 ASN CB C 13 39.50 0.2 . 1 . . . . 177 ASN CB . 18598 1 201 . 1 1 42 42 ASN N N 15 113.67 0.2 . 1 . . . . 177 ASN N . 18598 1 202 . 1 1 43 43 ARG H H 1 7.06 0.02 . 1 . . . . 178 ARG H . 18598 1 203 . 1 1 43 43 ARG C C 13 176.21 0.2 . 1 . . . . 178 ARG C . 18598 1 204 . 1 1 43 43 ARG CA C 13 55.06 0.2 . 1 . . . . 178 ARG CA . 18598 1 205 . 1 1 43 43 ARG CB C 13 32.12 0.2 . 1 . . . . 178 ARG CB . 18598 1 206 . 1 1 43 43 ARG N N 15 114.31 0.2 . 1 . . . . 178 ARG N . 18598 1 207 . 1 1 44 44 GLN H H 1 8.44 0.02 . 1 . . . . 179 GLN H . 18598 1 208 . 1 1 44 44 GLN C C 13 178.26 0.2 . 1 . . . . 179 GLN C . 18598 1 209 . 1 1 44 44 GLN CA C 13 54.44 0.2 . 1 . . . . 179 GLN CA . 18598 1 210 . 1 1 44 44 GLN CB C 13 30.67 0.2 . 1 . . . . 179 GLN CB . 18598 1 211 . 1 1 44 44 GLN N N 15 118.07 0.2 . 1 . . . . 179 GLN N . 18598 1 212 . 1 1 45 45 ILE H H 1 8.56 0.02 . 1 . . . . 180 ILE H . 18598 1 213 . 1 1 45 45 ILE C C 13 175.34 0.2 . 1 . . . . 180 ILE C . 18598 1 214 . 1 1 45 45 ILE CA C 13 59.75 0.2 . 1 . . . . 180 ILE CA . 18598 1 215 . 1 1 45 45 ILE CB C 13 42.04 0.2 . 1 . . . . 180 ILE CB . 18598 1 216 . 1 1 45 45 ILE N N 15 121.24 0.2 . 1 . . . . 180 ILE N . 18598 1 217 . 1 1 46 46 GLU H H 1 8.94 0.02 . 1 . . . . 181 GLU H . 18598 1 218 . 1 1 46 46 GLU C C 13 176.27 0.2 . 1 . . . . 181 GLU C . 18598 1 219 . 1 1 46 46 GLU CA C 13 55.35 0.2 . 1 . . . . 181 GLU CA . 18598 1 220 . 1 1 46 46 GLU CB C 13 31.14 0.2 . 1 . . . . 181 GLU CB . 18598 1 221 . 1 1 46 46 GLU N N 15 130.54 0.2 . 1 . . . . 181 GLU N . 18598 1 222 . 1 1 47 47 PHE H H 1 9.32 0.02 . 1 . . . . 182 PHE H . 18598 1 223 . 1 1 47 47 PHE C C 13 175.10 0.2 . 1 . . . . 182 PHE C . 18598 1 224 . 1 1 47 47 PHE CA C 13 55.93 0.2 . 1 . . . . 182 PHE CA . 18598 1 225 . 1 1 47 47 PHE CB C 13 40.87 0.2 . 1 . . . . 182 PHE CB . 18598 1 226 . 1 1 47 47 PHE N N 15 123.25 0.2 . 1 . . . . 182 PHE N . 18598 1 227 . 1 1 48 48 TYR H H 1 8.89 0.02 . 1 . . . . 183 TYR H . 18598 1 228 . 1 1 48 48 TYR C C 13 179.34 0.2 . 1 . . . . 183 TYR C . 18598 1 229 . 1 1 48 48 TYR CA C 13 57.26 0.2 . 1 . . . . 183 TYR CA . 18598 1 230 . 1 1 48 48 TYR CB C 13 39.06 0.2 . 1 . . . . 183 TYR CB . 18598 1 231 . 1 1 48 48 TYR N N 15 119.23 0.2 . 1 . . . . 183 TYR N . 18598 1 232 . 1 1 49 49 GLY H H 1 7.72 0.02 . 1 . . . . 184 GLY H . 18598 1 233 . 1 1 49 49 GLY C C 13 175.63 0.2 . 1 . . . . 184 GLY C . 18598 1 234 . 1 1 49 49 GLY CA C 13 45.61 0.2 . 1 . . . . 184 GLY CA . 18598 1 235 . 1 1 49 49 GLY N N 15 110.25 0.2 . 1 . . . . 184 GLY N . 18598 1 236 . 1 1 50 50 ASN H H 1 8.42 0.02 . 1 . . . . 185 ASN H . 18598 1 237 . 1 1 50 50 ASN C C 13 180.58 0.2 . 1 . . . . 185 ASN C . 18598 1 238 . 1 1 50 50 ASN CA C 13 52.15 0.2 . 1 . . . . 185 ASN CA . 18598 1 239 . 1 1 50 50 ASN CB C 13 42.09 0.2 . 1 . . . . 185 ASN CB . 18598 1 240 . 1 1 50 50 ASN N N 15 116.69 0.2 . 1 . . . . 185 ASN N . 18598 1 241 . 1 1 51 51 LEU H H 1 9.12 0.02 . 1 . . . . 186 LEU H . 18598 1 242 . 1 1 51 51 LEU C C 13 176.44 0.2 . 1 . . . . 186 LEU C . 18598 1 243 . 1 1 51 51 LEU CA C 13 58.08 0.2 . 1 . . . . 186 LEU CA . 18598 1 244 . 1 1 51 51 LEU CB C 13 41.68 0.2 . 1 . . . . 186 LEU CB . 18598 1 245 . 1 1 51 51 LEU N N 15 124.41 0.2 . 1 . . . . 186 LEU N . 18598 1 246 . 1 1 52 52 LYS H H 1 8.25 0.02 . 1 . . . . 187 LYS H . 18598 1 247 . 1 1 52 52 LYS C C 13 172.54 0.2 . 1 . . . . 187 LYS C . 18598 1 248 . 1 1 52 52 LYS CA C 13 59.52 0.2 . 1 . . . . 187 LYS CA . 18598 1 249 . 1 1 52 52 LYS CB C 13 31.88 0.2 . 1 . . . . 187 LYS CB . 18598 1 250 . 1 1 52 52 LYS N N 15 119.32 0.2 . 1 . . . . 187 LYS N . 18598 1 251 . 1 1 53 53 GLU H H 1 7.85 0.02 . 1 . . . . 188 GLU H . 18598 1 252 . 1 1 53 53 GLU C C 13 171.45 0.2 . 1 . . . . 188 GLU C . 18598 1 253 . 1 1 53 53 GLU CA C 13 59.04 0.2 . 1 . . . . 188 GLU CA . 18598 1 254 . 1 1 53 53 GLU CB C 13 29.56 0.2 . 1 . . . . 188 GLU CB . 18598 1 255 . 1 1 53 53 GLU N N 15 119.11 0.2 . 1 . . . . 188 GLU N . 18598 1 256 . 1 1 54 54 LEU H H 1 7.50 0.02 . 1 . . . . 189 LEU H . 18598 1 257 . 1 1 54 54 LEU C C 13 171.25 0.2 . 1 . . . . 189 LEU C . 18598 1 258 . 1 1 54 54 LEU CA C 13 57.18 0.2 . 1 . . . . 189 LEU CA . 18598 1 259 . 1 1 54 54 LEU CB C 13 41.03 0.2 . 1 . . . . 189 LEU CB . 18598 1 260 . 1 1 54 54 LEU N N 15 119.71 0.2 . 1 . . . . 189 LEU N . 18598 1 261 . 1 1 55 55 SER H H 1 7.79 0.02 . 1 . . . . 190 SER H . 18598 1 262 . 1 1 55 55 SER C C 13 172.72 0.2 . 1 . . . . 190 SER C . 18598 1 263 . 1 1 55 55 SER CA C 13 60.78 0.2 . 1 . . . . 190 SER CA . 18598 1 264 . 1 1 55 55 SER CB C 13 63.23 0.2 . 1 . . . . 190 SER CB . 18598 1 265 . 1 1 55 55 SER N N 15 111.04 0.2 . 1 . . . . 190 SER N . 18598 1 266 . 1 1 56 56 GLN H H 1 7.22 0.02 . 1 . . . . 191 GLN H . 18598 1 267 . 1 1 56 56 GLN C C 13 176.77 0.2 . 1 . . . . 191 GLN C . 18598 1 268 . 1 1 56 56 GLN CA C 13 55.57 0.2 . 1 . . . . 191 GLN CA . 18598 1 269 . 1 1 56 56 GLN CB C 13 29.28 0.2 . 1 . . . . 191 GLN CB . 18598 1 270 . 1 1 56 56 GLN N N 15 117.02 0.2 . 1 . . . . 191 GLN N . 18598 1 271 . 1 1 57 57 LEU H H 1 7.53 0.02 . 1 . . . . 192 LEU H . 18598 1 272 . 1 1 57 57 LEU C C 13 173.98 0.2 . 1 . . . . 192 LEU C . 18598 1 273 . 1 1 57 57 LEU CA C 13 57.80 0.2 . 1 . . . . 192 LEU CA . 18598 1 274 . 1 1 57 57 LEU CB C 13 43.40 0.2 . 1 . . . . 192 LEU CB . 18598 1 275 . 1 1 57 57 LEU N N 15 120.15 0.2 . 1 . . . . 192 LEU N . 18598 1 276 . 1 1 58 58 ASP H H 1 7.19 0.02 . 1 . . . . 193 ASP H . 18598 1 277 . 1 1 58 58 ASP C C 13 173.88 0.2 . 1 . . . . 193 ASP C . 18598 1 278 . 1 1 58 58 ASP CA C 13 54.12 0.2 . 1 . . . . 193 ASP CA . 18598 1 279 . 1 1 58 58 ASP CB C 13 46.23 0.2 . 1 . . . . 193 ASP CB . 18598 1 280 . 1 1 58 58 ASP N N 15 112.09 0.2 . 1 . . . . 193 ASP N . 18598 1 281 . 1 1 59 59 ASP H H 1 8.94 0.02 . 1 . . . . 194 ASP H . 18598 1 282 . 1 1 59 59 ASP C C 13 175.38 0.2 . 1 . . . . 194 ASP C . 18598 1 283 . 1 1 59 59 ASP CA C 13 56.77 0.2 . 1 . . . . 194 ASP CA . 18598 1 284 . 1 1 59 59 ASP CB C 13 41.13 0.2 . 1 . . . . 194 ASP CB . 18598 1 285 . 1 1 59 59 ASP N N 15 125.41 0.2 . 1 . . . . 194 ASP N . 18598 1 286 . 1 1 60 60 ARG H H 1 9.20 0.02 . 1 . . . . 195 ARG H . 18598 1 287 . 1 1 60 60 ARG C C 13 174.59 0.2 . 1 . . . . 195 ARG C . 18598 1 288 . 1 1 60 60 ARG CA C 13 56.77 0.2 . 1 . . . . 195 ARG CA . 18598 1 289 . 1 1 60 60 ARG CB C 13 28.12 0.2 . 1 . . . . 195 ARG CB . 18598 1 290 . 1 1 60 60 ARG N N 15 117.89 0.2 . 1 . . . . 195 ARG N . 18598 1 291 . 1 1 61 61 PHE H H 1 7.87 0.02 . 1 . . . . 196 PHE H . 18598 1 292 . 1 1 61 61 PHE C C 13 175.54 0.2 . 1 . . . . 196 PHE C . 18598 1 293 . 1 1 61 61 PHE CA C 13 56.43 0.2 . 1 . . . . 196 PHE CA . 18598 1 294 . 1 1 61 61 PHE CB C 13 39.37 0.2 . 1 . . . . 196 PHE CB . 18598 1 295 . 1 1 61 61 PHE N N 15 120.81 0.2 . 1 . . . . 196 PHE N . 18598 1 296 . 1 1 62 62 PHE H H 1 8.92 0.02 . 1 . . . . 197 PHE H . 18598 1 297 . 1 1 62 62 PHE C C 13 176.30 0.2 . 1 . . . . 197 PHE C . 18598 1 298 . 1 1 62 62 PHE CA C 13 56.31 0.2 . 1 . . . . 197 PHE CA . 18598 1 299 . 1 1 62 62 PHE CB C 13 43.16 0.2 . 1 . . . . 197 PHE CB . 18598 1 300 . 1 1 62 62 PHE N N 15 121.53 0.2 . 1 . . . . 197 PHE N . 18598 1 301 . 1 1 63 63 ARG H H 1 9.00 0.02 . 1 . . . . 198 ARG H . 18598 1 302 . 1 1 63 63 ARG C C 13 176.46 0.2 . 1 . . . . 198 ARG C . 18598 1 303 . 1 1 63 63 ARG CA C 13 54.97 0.2 . 1 . . . . 198 ARG CA . 18598 1 304 . 1 1 63 63 ARG CB C 13 29.93 0.2 . 1 . . . . 198 ARG CB . 18598 1 305 . 1 1 63 63 ARG N N 15 132.79 0.2 . 1 . . . . 198 ARG N . 18598 1 306 . 1 1 64 64 CYS H H 1 7.74 0.02 . 1 . . . . 199 CYS H . 18598 1 307 . 1 1 64 64 CYS C C 13 178.20 0.2 . 1 . . . . 199 CYS C . 18598 1 308 . 1 1 64 64 CYS CA C 13 56.05 0.2 . 1 . . . . 199 CYS CA . 18598 1 309 . 1 1 64 64 CYS CB C 13 29.73 0.2 . 1 . . . . 199 CYS CB . 18598 1 310 . 1 1 64 64 CYS N N 15 121.69 0.2 . 1 . . . . 199 CYS N . 18598 1 311 . 1 1 65 65 HIS H H 1 8.52 0.02 . 1 . . . . 200 HIS H . 18598 1 312 . 1 1 65 65 HIS C C 13 179.04 0.2 . 1 . . . . 200 HIS C . 18598 1 313 . 1 1 65 65 HIS CA C 13 56.80 0.2 . 1 . . . . 200 HIS CA . 18598 1 314 . 1 1 65 65 HIS CB C 13 36.95 0.2 . 1 . . . . 200 HIS CB . 18598 1 315 . 1 1 65 65 HIS N N 15 125.62 0.2 . 1 . . . . 200 HIS N . 18598 1 316 . 1 1 66 66 ASN H H 1 8.72 0.02 . 1 . . . . 201 ASN H . 18598 1 317 . 1 1 66 66 ASN C C 13 177.20 0.2 . 1 . . . . 201 ASN C . 18598 1 318 . 1 1 66 66 ASN CA C 13 57.33 0.2 . 1 . . . . 201 ASN CA . 18598 1 319 . 1 1 66 66 ASN CB C 13 38.83 0.2 . 1 . . . . 201 ASN CB . 18598 1 320 . 1 1 66 66 ASN N N 15 125.50 0.2 . 1 . . . . 201 ASN N . 18598 1 321 . 1 1 67 67 SER H H 1 12.10 0.02 . 1 . . . . 202 SER H . 18598 1 322 . 1 1 67 67 SER C C 13 172.79 0.2 . 1 . . . . 202 SER C . 18598 1 323 . 1 1 67 67 SER CA C 13 59.56 0.2 . 1 . . . . 202 SER CA . 18598 1 324 . 1 1 67 67 SER CB C 13 64.31 0.2 . 1 . . . . 202 SER CB . 18598 1 325 . 1 1 67 67 SER N N 15 116.98 0.2 . 1 . . . . 202 SER N . 18598 1 326 . 1 1 68 68 PHE H H 1 7.19 0.02 . 1 . . . . 203 PHE H . 18598 1 327 . 1 1 68 68 PHE C C 13 178.02 0.2 . 1 . . . . 203 PHE C . 18598 1 328 . 1 1 68 68 PHE CA C 13 56.74 0.2 . 1 . . . . 203 PHE CA . 18598 1 329 . 1 1 68 68 PHE CB C 13 44.85 0.2 . 1 . . . . 203 PHE CB . 18598 1 330 . 1 1 68 68 PHE N N 15 112.33 0.2 . 1 . . . . 203 PHE N . 18598 1 331 . 1 1 69 69 VAL H H 1 8.69 0.02 . 1 . . . . 204 VAL H . 18598 1 332 . 1 1 69 69 VAL C C 13 175.79 0.2 . 1 . . . . 204 VAL C . 18598 1 333 . 1 1 69 69 VAL CA C 13 61.16 0.2 . 1 . . . . 204 VAL CA . 18598 1 334 . 1 1 69 69 VAL CB C 13 35.14 0.2 . 1 . . . . 204 VAL CB . 18598 1 335 . 1 1 69 69 VAL N N 15 120.60 0.2 . 1 . . . . 204 VAL N . 18598 1 336 . 1 1 70 70 VAL H H 1 9.32 0.02 . 1 . . . . 205 VAL H . 18598 1 337 . 1 1 70 70 VAL C C 13 175.26 0.2 . 1 . . . . 205 VAL C . 18598 1 338 . 1 1 70 70 VAL CA C 13 59.44 0.2 . 1 . . . . 205 VAL CA . 18598 1 339 . 1 1 70 70 VAL CB C 13 34.28 0.2 . 1 . . . . 205 VAL CB . 18598 1 340 . 1 1 70 70 VAL N N 15 119.66 0.2 . 1 . . . . 205 VAL N . 18598 1 341 . 1 1 71 71 ASN H H 1 8.27 0.02 . 1 . . . . 206 ASN H . 18598 1 342 . 1 1 71 71 ASN C C 13 177.10 0.2 . 1 . . . . 206 ASN C . 18598 1 343 . 1 1 71 71 ASN CA C 13 51.79 0.2 . 1 . . . . 206 ASN CA . 18598 1 344 . 1 1 71 71 ASN CB C 13 39.22 0.2 . 1 . . . . 206 ASN CB . 18598 1 345 . 1 1 71 71 ASN N N 15 117.91 0.2 . 1 . . . . 206 ASN N . 18598 1 346 . 1 1 72 72 ARG H H 1 9.97 0.02 . 1 . . . . 207 ARG H . 18598 1 347 . 1 1 72 72 ARG C C 13 173.60 0.2 . 1 . . . . 207 ARG C . 18598 1 348 . 1 1 72 72 ARG CA C 13 59.85 0.2 . 1 . . . . 207 ARG CA . 18598 1 349 . 1 1 72 72 ARG CB C 13 32.04 0.2 . 1 . . . . 207 ARG CB . 18598 1 350 . 1 1 72 72 ARG N N 15 124.50 0.2 . 1 . . . . 207 ARG N . 18598 1 351 . 1 1 73 73 HIS H H 1 8.74 0.02 . 1 . . . . 208 HIS H . 18598 1 352 . 1 1 73 73 HIS C C 13 171.75 0.2 . 1 . . . . 208 HIS C . 18598 1 353 . 1 1 73 73 HIS CA C 13 56.35 0.2 . 1 . . . . 208 HIS CA . 18598 1 354 . 1 1 73 73 HIS CB C 13 28.19 0.2 . 1 . . . . 208 HIS CB . 18598 1 355 . 1 1 73 73 HIS N N 15 113.30 0.2 . 1 . . . . 208 HIS N . 18598 1 356 . 1 1 74 74 ASN H H 1 8.00 0.02 . 1 . . . . 209 ASN H . 18598 1 357 . 1 1 74 74 ASN C C 13 175.31 0.2 . 1 . . . . 209 ASN C . 18598 1 358 . 1 1 74 74 ASN CA C 13 52.84 0.2 . 1 . . . . 209 ASN CA . 18598 1 359 . 1 1 74 74 ASN CB C 13 41.84 0.2 . 1 . . . . 209 ASN CB . 18598 1 360 . 1 1 74 74 ASN N N 15 114.16 0.2 . 1 . . . . 209 ASN N . 18598 1 361 . 1 1 75 75 ILE H H 1 7.04 0.02 . 1 . . . . 210 ILE H . 18598 1 362 . 1 1 75 75 ILE C C 13 176.52 0.2 . 1 . . . . 210 ILE C . 18598 1 363 . 1 1 75 75 ILE CA C 13 63.33 0.2 . 1 . . . . 210 ILE CA . 18598 1 364 . 1 1 75 75 ILE CB C 13 39.28 0.2 . 1 . . . . 210 ILE CB . 18598 1 365 . 1 1 75 75 ILE N N 15 122.22 0.2 . 1 . . . . 210 ILE N . 18598 1 366 . 1 1 76 76 GLU H H 1 9.61 0.02 . 1 . . . . 211 GLU H . 18598 1 367 . 1 1 76 76 GLU C C 13 175.67 0.2 . 1 . . . . 211 GLU C . 18598 1 368 . 1 1 76 76 GLU CA C 13 57.12 0.2 . 1 . . . . 211 GLU CA . 18598 1 369 . 1 1 76 76 GLU CB C 13 32.64 0.2 . 1 . . . . 211 GLU CB . 18598 1 370 . 1 1 76 76 GLU N N 15 130.53 0.2 . 1 . . . . 211 GLU N . 18598 1 371 . 1 1 77 77 SER H H 1 7.73 0.02 . 1 . . . . 212 SER H . 18598 1 372 . 1 1 77 77 SER C C 13 175.44 0.2 . 1 . . . . 212 SER C . 18598 1 373 . 1 1 77 77 SER CA C 13 58.22 0.2 . 1 . . . . 212 SER CA . 18598 1 374 . 1 1 77 77 SER CB C 13 64.74 0.2 . 1 . . . . 212 SER CB . 18598 1 375 . 1 1 77 77 SER N N 15 111.44 0.2 . 1 . . . . 212 SER N . 18598 1 376 . 1 1 78 78 ILE H H 1 8.44 0.02 . 1 . . . . 213 ILE H . 18598 1 377 . 1 1 78 78 ILE C C 13 179.86 0.2 . 1 . . . . 213 ILE C . 18598 1 378 . 1 1 78 78 ILE CA C 13 60.44 0.2 . 1 . . . . 213 ILE CA . 18598 1 379 . 1 1 78 78 ILE CB C 13 42.10 0.2 . 1 . . . . 213 ILE CB . 18598 1 380 . 1 1 78 78 ILE N N 15 119.00 0.2 . 1 . . . . 213 ILE N . 18598 1 381 . 1 1 79 79 ASP H H 1 9.30 0.02 . 1 . . . . 214 ASP H . 18598 1 382 . 1 1 79 79 ASP C C 13 175.35 0.2 . 1 . . . . 214 ASP C . 18598 1 383 . 1 1 79 79 ASP CA C 13 52.16 0.2 . 1 . . . . 214 ASP CA . 18598 1 384 . 1 1 79 79 ASP CB C 13 41.80 0.2 . 1 . . . . 214 ASP CB . 18598 1 385 . 1 1 79 79 ASP N N 15 127.57 0.2 . 1 . . . . 214 ASP N . 18598 1 386 . 1 1 80 80 SER H H 1 8.91 0.02 . 1 . . . . 215 SER H . 18598 1 387 . 1 1 80 80 SER C C 13 173.60 0.2 . 1 . . . . 215 SER C . 18598 1 388 . 1 1 80 80 SER CA C 13 61.01 0.2 . 1 . . . . 215 SER CA . 18598 1 389 . 1 1 80 80 SER CB C 13 62.97 0.2 . 1 . . . . 215 SER CB . 18598 1 390 . 1 1 80 80 SER N N 15 120.99 0.2 . 1 . . . . 215 SER N . 18598 1 391 . 1 1 81 81 LYS H H 1 8.28 0.02 . 1 . . . . 216 LYS H . 18598 1 392 . 1 1 81 81 LYS C C 13 176.34 0.2 . 1 . . . . 216 LYS C . 18598 1 393 . 1 1 81 81 LYS CA C 13 58.97 0.2 . 1 . . . . 216 LYS CA . 18598 1 394 . 1 1 81 81 LYS CB C 13 32.56 0.2 . 1 . . . . 216 LYS CB . 18598 1 395 . 1 1 81 81 LYS N N 15 123.04 0.2 . 1 . . . . 216 LYS N . 18598 1 396 . 1 1 82 82 GLU H H 1 7.78 0.02 . 1 . . . . 217 GLU H . 18598 1 397 . 1 1 82 82 GLU C C 13 172.71 0.2 . 1 . . . . 217 GLU C . 18598 1 398 . 1 1 82 82 GLU CA C 13 55.59 0.2 . 1 . . . . 217 GLU CA . 18598 1 399 . 1 1 82 82 GLU CB C 13 30.33 0.2 . 1 . . . . 217 GLU CB . 18598 1 400 . 1 1 82 82 GLU N N 15 116.10 0.2 . 1 . . . . 217 GLU N . 18598 1 401 . 1 1 83 83 ARG H H 1 7.83 0.02 . 1 . . . . 218 ARG H . 18598 1 402 . 1 1 83 83 ARG C C 13 175.51 0.2 . 1 . . . . 218 ARG C . 18598 1 403 . 1 1 83 83 ARG CA C 13 57.63 0.2 . 1 . . . . 218 ARG CA . 18598 1 404 . 1 1 83 83 ARG CB C 13 26.27 0.2 . 1 . . . . 218 ARG CB . 18598 1 405 . 1 1 83 83 ARG N N 15 115.08 0.2 . 1 . . . . 218 ARG N . 18598 1 406 . 1 1 84 84 ILE H H 1 7.51 0.02 . 1 . . . . 219 ILE H . 18598 1 407 . 1 1 84 84 ILE C C 13 177.24 0.2 . 1 . . . . 219 ILE C . 18598 1 408 . 1 1 84 84 ILE CA C 13 60.06 0.2 . 1 . . . . 219 ILE CA . 18598 1 409 . 1 1 84 84 ILE CB C 13 40.96 0.2 . 1 . . . . 219 ILE CB . 18598 1 410 . 1 1 84 84 ILE N N 15 116.69 0.2 . 1 . . . . 219 ILE N . 18598 1 411 . 1 1 85 85 VAL H H 1 8.19 0.02 . 1 . . . . 220 VAL H . 18598 1 412 . 1 1 85 85 VAL C C 13 177.54 0.2 . 1 . . . . 220 VAL C . 18598 1 413 . 1 1 85 85 VAL CA C 13 61.09 0.2 . 1 . . . . 220 VAL CA . 18598 1 414 . 1 1 85 85 VAL CB C 13 32.31 0.2 . 1 . . . . 220 VAL CB . 18598 1 415 . 1 1 85 85 VAL N N 15 127.07 0.2 . 1 . . . . 220 VAL N . 18598 1 416 . 1 1 86 86 TYR H H 1 8.71 0.02 . 1 . . . . 221 TYR H . 18598 1 417 . 1 1 86 86 TYR C C 13 177.28 0.2 . 1 . . . . 221 TYR C . 18598 1 418 . 1 1 86 86 TYR CA C 13 57.94 0.2 . 1 . . . . 221 TYR CA . 18598 1 419 . 1 1 86 86 TYR CB C 13 39.74 0.2 . 1 . . . . 221 TYR CB . 18598 1 420 . 1 1 86 86 TYR N N 15 123.10 0.2 . 1 . . . . 221 TYR N . 18598 1 421 . 1 1 87 87 PHE H H 1 8.82 0.02 . 1 . . . . 222 PHE H . 18598 1 422 . 1 1 87 87 PHE C C 13 174.03 0.2 . 1 . . . . 222 PHE C . 18598 1 423 . 1 1 87 87 PHE CA C 13 58.36 0.2 . 1 . . . . 222 PHE CA . 18598 1 424 . 1 1 87 87 PHE CB C 13 42.85 0.2 . 1 . . . . 222 PHE CB . 18598 1 425 . 1 1 87 87 PHE N N 15 119.33 0.2 . 1 . . . . 222 PHE N . 18598 1 426 . 1 1 88 88 LYS H H 1 8.56 0.02 . 1 . . . . 223 LYS H . 18598 1 427 . 1 1 88 88 LYS C C 13 172.32 0.2 . 1 . . . . 223 LYS C . 18598 1 428 . 1 1 88 88 LYS CA C 13 59.43 0.2 . 1 . . . . 223 LYS CA . 18598 1 429 . 1 1 88 88 LYS CB C 13 33.31 0.2 . 1 . . . . 223 LYS CB . 18598 1 430 . 1 1 88 88 LYS N N 15 120.60 0.2 . 1 . . . . 223 LYS N . 18598 1 431 . 1 1 89 89 ASN H H 1 7.62 0.02 . 1 . . . . 224 ASN H . 18598 1 432 . 1 1 89 89 ASN C C 13 175.39 0.2 . 1 . . . . 224 ASN C . 18598 1 433 . 1 1 89 89 ASN CA C 13 52.91 0.2 . 1 . . . . 224 ASN CA . 18598 1 434 . 1 1 89 89 ASN CB C 13 38.54 0.2 . 1 . . . . 224 ASN CB . 18598 1 435 . 1 1 89 89 ASN N N 15 116.96 0.2 . 1 . . . . 224 ASN N . 18598 1 436 . 1 1 90 90 LYS H H 1 8.25 0.02 . 1 . . . . 225 LYS H . 18598 1 437 . 1 1 90 90 LYS C C 13 174.59 0.2 . 1 . . . . 225 LYS C . 18598 1 438 . 1 1 90 90 LYS CA C 13 58.39 0.2 . 1 . . . . 225 LYS CA . 18598 1 439 . 1 1 90 90 LYS CB C 13 29.00 0.2 . 1 . . . . 225 LYS CB . 18598 1 440 . 1 1 90 90 LYS N N 15 110.68 0.2 . 1 . . . . 225 LYS N . 18598 1 441 . 1 1 91 91 GLU H H 1 7.80 0.02 . 1 . . . . 226 GLU H . 18598 1 442 . 1 1 91 91 GLU C C 13 173.55 0.2 . 1 . . . . 226 GLU C . 18598 1 443 . 1 1 91 91 GLU CA C 13 57.80 0.2 . 1 . . . . 226 GLU CA . 18598 1 444 . 1 1 91 91 GLU CB C 13 33.59 0.2 . 1 . . . . 226 GLU CB . 18598 1 445 . 1 1 91 91 GLU N N 15 118.19 0.2 . 1 . . . . 226 GLU N . 18598 1 446 . 1 1 92 92 HIS H H 1 8.43 0.02 . 1 . . . . 227 HIS H . 18598 1 447 . 1 1 92 92 HIS C C 13 176.17 0.2 . 1 . . . . 227 HIS C . 18598 1 448 . 1 1 92 92 HIS CA C 13 54.35 0.2 . 1 . . . . 227 HIS CA . 18598 1 449 . 1 1 92 92 HIS CB C 13 32.36 0.2 . 1 . . . . 227 HIS CB . 18598 1 450 . 1 1 92 92 HIS N N 15 113.61 0.2 . 1 . . . . 227 HIS N . 18598 1 451 . 1 1 93 93 CYS H H 1 8.46 0.02 . 1 . . . . 228 CYS H . 18598 1 452 . 1 1 93 93 CYS C C 13 178.83 0.2 . 1 . . . . 228 CYS C . 18598 1 453 . 1 1 93 93 CYS CA C 13 55.50 0.2 . 1 . . . . 228 CYS CA . 18598 1 454 . 1 1 93 93 CYS CB C 13 28.57 0.2 . 1 . . . . 228 CYS CB . 18598 1 455 . 1 1 93 93 CYS N N 15 114.11 0.2 . 1 . . . . 228 CYS N . 18598 1 456 . 1 1 94 94 TYR CA C 13 57.00 0.2 . 1 . . . . 229 TYR CA . 18598 1 457 . 1 1 94 94 TYR CB C 13 41.75 0.2 . 1 . . . . 229 TYR CB . 18598 1 458 . 1 1 95 95 ALA H H 1 8.11 0.02 . 1 . . . . 230 ALA H . 18598 1 459 . 1 1 95 95 ALA C C 13 177.78 0.2 . 1 . . . . 230 ALA C . 18598 1 460 . 1 1 95 95 ALA CA C 13 49.75 0.2 . 1 . . . . 230 ALA CA . 18598 1 461 . 1 1 95 95 ALA CB C 13 22.70 0.2 . 1 . . . . 230 ALA CB . 18598 1 462 . 1 1 95 95 ALA N N 15 117.12 0.2 . 1 . . . . 230 ALA N . 18598 1 463 . 1 1 96 96 SER H H 1 9.26 0.02 . 1 . . . . 231 SER H . 18598 1 464 . 1 1 96 96 SER C C 13 174.37 0.2 . 1 . . . . 231 SER C . 18598 1 465 . 1 1 96 96 SER CA C 13 57.04 0.2 . 1 . . . . 231 SER CA . 18598 1 466 . 1 1 96 96 SER CB C 13 65.17 0.2 . 1 . . . . 231 SER CB . 18598 1 467 . 1 1 96 96 SER N N 15 117.01 0.2 . 1 . . . . 231 SER N . 18598 1 468 . 1 1 97 97 VAL H H 1 8.74 0.02 . 1 . . . . 232 VAL H . 18598 1 469 . 1 1 97 97 VAL C C 13 175.68 0.2 . 1 . . . . 232 VAL C . 18598 1 470 . 1 1 97 97 VAL CA C 13 65.82 0.2 . 1 . . . . 232 VAL CA . 18598 1 471 . 1 1 97 97 VAL CB C 13 32.18 0.2 . 1 . . . . 232 VAL CB . 18598 1 472 . 1 1 97 97 VAL N N 15 121.65 0.2 . 1 . . . . 232 VAL N . 18598 1 473 . 1 1 98 98 ARG H H 1 8.20 0.02 . 1 . . . . 233 ARG H . 18598 1 474 . 1 1 98 98 ARG C C 13 173.37 0.2 . 1 . . . . 233 ARG C . 18598 1 475 . 1 1 98 98 ARG CA C 13 58.15 0.2 . 1 . . . . 233 ARG CA . 18598 1 476 . 1 1 98 98 ARG CB C 13 30.53 0.2 . 1 . . . . 233 ARG CB . 18598 1 477 . 1 1 98 98 ARG N N 15 117.30 0.2 . 1 . . . . 233 ARG N . 18598 1 478 . 1 1 99 99 ASN H H 1 7.70 0.02 . 1 . . . . 234 ASN H . 18598 1 479 . 1 1 99 99 ASN C C 13 173.38 0.2 . 1 . . . . 234 ASN C . 18598 1 480 . 1 1 99 99 ASN CA C 13 53.89 0.2 . 1 . . . . 234 ASN CA . 18598 1 481 . 1 1 99 99 ASN CB C 13 40.20 0.2 . 1 . . . . 234 ASN CB . 18598 1 482 . 1 1 99 99 ASN N N 15 114.34 0.2 . 1 . . . . 234 ASN N . 18598 1 483 . 1 1 100 100 VAL H H 1 8.15 0.02 . 1 . . . . 235 VAL H . 18598 1 484 . 1 1 100 100 VAL C C 13 173.18 0.2 . 1 . . . . 235 VAL C . 18598 1 485 . 1 1 100 100 VAL CA C 13 65.50 0.2 . 1 . . . . 235 VAL CA . 18598 1 486 . 1 1 100 100 VAL CB C 13 31.22 0.2 . 1 . . . . 235 VAL CB . 18598 1 487 . 1 1 100 100 VAL N N 15 121.77 0.2 . 1 . . . . 235 VAL N . 18598 1 488 . 1 1 101 101 LYS H H 1 8.05 0.02 . 1 . . . . 236 LYS H . 18598 1 489 . 1 1 101 101 LYS C C 13 175.52 0.2 . 1 . . . . 236 LYS C . 18598 1 490 . 1 1 101 101 LYS CA C 13 56.86 0.2 . 1 . . . . 236 LYS CA . 18598 1 491 . 1 1 101 101 LYS CB C 13 32.04 0.2 . 1 . . . . 236 LYS CB . 18598 1 492 . 1 1 101 101 LYS N N 15 117.96 0.2 . 1 . . . . 236 LYS N . 18598 1 493 . 1 1 102 102 LYS H H 1 7.69 0.02 . 1 . . . . 237 LYS H . 18598 1 494 . 1 1 102 102 LYS C C 13 174.36 0.2 . 1 . . . . 237 LYS C . 18598 1 495 . 1 1 102 102 LYS CA C 13 55.51 0.2 . 1 . . . . 237 LYS CA . 18598 1 496 . 1 1 102 102 LYS CB C 13 34.00 0.2 . 1 . . . . 237 LYS CB . 18598 1 497 . 1 1 102 102 LYS N N 15 118.12 0.2 . 1 . . . . 237 LYS N . 18598 1 498 . 1 1 103 103 ILE H H 1 6.83 0.02 . 1 . . . . 238 ILE H . 18598 1 499 . 1 1 103 103 ILE C C 13 175.54 0.2 . 1 . . . . 238 ILE C . 18598 1 500 . 1 1 103 103 ILE CA C 13 65.83 0.2 . 1 . . . . 238 ILE CA . 18598 1 501 . 1 1 103 103 ILE CB C 13 38.70 0.2 . 1 . . . . 238 ILE CB . 18598 1 502 . 1 1 103 103 ILE N N 15 124.63 0.2 . 1 . . . . 238 ILE N . 18598 1 stop_ save_