data_27130 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27130 _Entry.Title ; 1H, 13C, and 15N chemical shift assignments of the FnIII-2 domain from Vibrio cholerae RbmA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-06-09 _Entry.Accession_date 2017-06-09 _Entry.Last_release_date 2017-06-09 _Entry.Original_release_date 2017-06-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Nicole Parsley . . . . 27130 2 Hsiau-Wei Lee . . . . 27130 3 Carrie Partch . . . . 27130 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Partch group; UC Santa Cruz' . 27130 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27130 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 219 27130 '15N chemical shifts' 121 27130 '1H chemical shifts' 134 27130 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2017-09-14 . original BMRB . 27130 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 4KKP 'Crystal structure of RbmA (crystal form 2)' 27130 PDB 4KKQ 'Crystal structure of RbmA (crystal form 1)' 27130 PDB 4KKR 'Crystal structure of RbmA (crystal form 3)' 27130 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27130 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Structural dynamics of RbmA governs plasticity of Vibrio cholerae biofilms ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Elife _Citation.Journal_name_full . _Citation.Journal_volume 6 _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 e26163 _Citation.Page_last e26163 _Citation.Year 2017 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jiunn Fong . C.N. . . 27130 1 2 Andrew Rogers . . . . 27130 1 3 Alicia Michael . K. . . 27130 1 4 Nicole Parsley . C. . . 27130 1 5 William-Cole Cornell . . . . 27130 1 6 Yu-Cheng Lin . . . . 27130 1 7 Praveen Singh . K. . . 27130 1 8 Raimo Hartmann . . . . 27130 1 9 Knut Drescher . . . . 27130 1 10 Evgeny Vinogradov . . . . 27130 1 11 Lars Dietrich . . . . 27130 1 12 Carrie Partch . L. . . 27130 1 13 Fitnat Yildiz . H. . . 27130 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID biofilm 27130 1 'fibronectin type III' 27130 1 'secreted protein' 27130 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27130 _Assembly.ID 1 _Assembly.Name 'RbmA FnIII-2 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 12683.23 _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 'RbmA FnIII-2 domain' 1 $RbmA_FnIII-2_domain A . yes native no no . 'polysaccharide binding' . 27130 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 4KKP . . 'X-ray crystallography' 2.5 'Structure of the full-length protein (crystal form 2)' . 27130 1 yes PDB 4KKQ . . 'X-ray crystallography' 2.16 'Structure of the full-length protein (crystal form 1)' . 27130 1 yes PDB 4KKR . . 'X-ray crystallography' 2.0 'Structure of the full-length protein (crystal form 3)' . 27130 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'polysaccharide binding, biofilm formation' 27130 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RbmA_FnIII-2_domain _Entity.Sf_category entity _Entity.Sf_framecode RbmA_FnIII-2_domain _Entity.Entry_ID 27130 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RbmA_FnIII-2_domain _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 ; GAMDPELNGLTIDIKNQFGI NSVESTGGFVPFTVDLNNGR EGEANVEFWMTAVGPDGLII PVNAREKWVIASGDTYSKVR GINFDKSYPAGEYTINAQVV DIVSGERVEQSMTVVKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 155-159 represent a vector artifact (GAMDP) left after TEV cleavage' _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 117 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'FnIII-2 domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12683.23 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . yes GB APF52364.1 . 'RbmA protein' . . . . . . . . . . . . . . 27130 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'polysaccharide binding, biofilm formation' 27130 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 1 155 GLY . 27130 1 2 156 ALA . 27130 1 3 157 MET . 27130 1 4 158 ASP . 27130 1 5 159 PRO . 27130 1 6 160 GLU . 27130 1 7 161 LEU . 27130 1 8 162 ASN . 27130 1 9 163 GLY . 27130 1 10 164 LEU . 27130 1 11 165 THR . 27130 1 12 166 ILE . 27130 1 13 167 ASP . 27130 1 14 168 ILE . 27130 1 15 169 LYS . 27130 1 16 170 ASN . 27130 1 17 171 GLN . 27130 1 18 172 PHE . 27130 1 19 173 GLY . 27130 1 20 174 ILE . 27130 1 21 175 ASN . 27130 1 22 176 SER . 27130 1 23 177 VAL . 27130 1 24 178 GLU . 27130 1 25 179 SER . 27130 1 26 180 THR . 27130 1 27 181 GLY . 27130 1 28 182 GLY . 27130 1 29 183 PHE . 27130 1 30 184 VAL . 27130 1 31 185 PRO . 27130 1 32 186 PHE . 27130 1 33 187 THR . 27130 1 34 188 VAL . 27130 1 35 189 ASP . 27130 1 36 190 LEU . 27130 1 37 191 ASN . 27130 1 38 192 ASN . 27130 1 39 193 GLY . 27130 1 40 194 ARG . 27130 1 41 195 GLU . 27130 1 42 196 GLY . 27130 1 43 197 GLU . 27130 1 44 198 ALA . 27130 1 45 199 ASN . 27130 1 46 200 VAL . 27130 1 47 201 GLU . 27130 1 48 202 PHE . 27130 1 49 203 TRP . 27130 1 50 204 MET . 27130 1 51 205 THR . 27130 1 52 206 ALA . 27130 1 53 207 VAL . 27130 1 54 208 GLY . 27130 1 55 209 PRO . 27130 1 56 210 ASP . 27130 1 57 211 GLY . 27130 1 58 212 LEU . 27130 1 59 213 ILE . 27130 1 60 214 ILE . 27130 1 61 215 PRO . 27130 1 62 216 VAL . 27130 1 63 217 ASN . 27130 1 64 218 ALA . 27130 1 65 219 ARG . 27130 1 66 220 GLU . 27130 1 67 221 LYS . 27130 1 68 222 TRP . 27130 1 69 223 VAL . 27130 1 70 224 ILE . 27130 1 71 225 ALA . 27130 1 72 226 SER . 27130 1 73 227 GLY . 27130 1 74 228 ASP . 27130 1 75 229 THR . 27130 1 76 230 TYR . 27130 1 77 231 SER . 27130 1 78 232 LYS . 27130 1 79 233 VAL . 27130 1 80 234 ARG . 27130 1 81 235 GLY . 27130 1 82 236 ILE . 27130 1 83 237 ASN . 27130 1 84 238 PHE . 27130 1 85 239 ASP . 27130 1 86 240 LYS . 27130 1 87 241 SER . 27130 1 88 242 TYR . 27130 1 89 243 PRO . 27130 1 90 244 ALA . 27130 1 91 245 GLY . 27130 1 92 246 GLU . 27130 1 93 247 TYR . 27130 1 94 248 THR . 27130 1 95 249 ILE . 27130 1 96 250 ASN . 27130 1 97 251 ALA . 27130 1 98 252 GLN . 27130 1 99 253 VAL . 27130 1 100 254 VAL . 27130 1 101 255 ASP . 27130 1 102 256 ILE . 27130 1 103 257 VAL . 27130 1 104 258 SER . 27130 1 105 259 GLY . 27130 1 106 260 GLU . 27130 1 107 261 ARG . 27130 1 108 262 VAL . 27130 1 109 263 GLU . 27130 1 110 264 GLN . 27130 1 111 265 SER . 27130 1 112 266 MET . 27130 1 113 267 THR . 27130 1 114 268 VAL . 27130 1 115 269 VAL . 27130 1 116 270 LYS . 27130 1 117 271 LYS . 27130 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 27130 1 . ALA 2 2 27130 1 . MET 3 3 27130 1 . ASP 4 4 27130 1 . PRO 5 5 27130 1 . GLU 6 6 27130 1 . LEU 7 7 27130 1 . ASN 8 8 27130 1 . GLY 9 9 27130 1 . LEU 10 10 27130 1 . THR 11 11 27130 1 . ILE 12 12 27130 1 . ASP 13 13 27130 1 . ILE 14 14 27130 1 . LYS 15 15 27130 1 . ASN 16 16 27130 1 . GLN 17 17 27130 1 . PHE 18 18 27130 1 . GLY 19 19 27130 1 . ILE 20 20 27130 1 . ASN 21 21 27130 1 . SER 22 22 27130 1 . VAL 23 23 27130 1 . GLU 24 24 27130 1 . SER 25 25 27130 1 . THR 26 26 27130 1 . GLY 27 27 27130 1 . GLY 28 28 27130 1 . PHE 29 29 27130 1 . VAL 30 30 27130 1 . PRO 31 31 27130 1 . PHE 32 32 27130 1 . THR 33 33 27130 1 . VAL 34 34 27130 1 . ASP 35 35 27130 1 . LEU 36 36 27130 1 . ASN 37 37 27130 1 . ASN 38 38 27130 1 . GLY 39 39 27130 1 . ARG 40 40 27130 1 . GLU 41 41 27130 1 . GLY 42 42 27130 1 . GLU 43 43 27130 1 . ALA 44 44 27130 1 . ASN 45 45 27130 1 . VAL 46 46 27130 1 . GLU 47 47 27130 1 . PHE 48 48 27130 1 . TRP 49 49 27130 1 . MET 50 50 27130 1 . THR 51 51 27130 1 . ALA 52 52 27130 1 . VAL 53 53 27130 1 . GLY 54 54 27130 1 . PRO 55 55 27130 1 . ASP 56 56 27130 1 . GLY 57 57 27130 1 . LEU 58 58 27130 1 . ILE 59 59 27130 1 . ILE 60 60 27130 1 . PRO 61 61 27130 1 . VAL 62 62 27130 1 . ASN 63 63 27130 1 . ALA 64 64 27130 1 . ARG 65 65 27130 1 . GLU 66 66 27130 1 . LYS 67 67 27130 1 . TRP 68 68 27130 1 . VAL 69 69 27130 1 . ILE 70 70 27130 1 . ALA 71 71 27130 1 . SER 72 72 27130 1 . GLY 73 73 27130 1 . ASP 74 74 27130 1 . THR 75 75 27130 1 . TYR 76 76 27130 1 . SER 77 77 27130 1 . LYS 78 78 27130 1 . VAL 79 79 27130 1 . ARG 80 80 27130 1 . GLY 81 81 27130 1 . ILE 82 82 27130 1 . ASN 83 83 27130 1 . PHE 84 84 27130 1 . ASP 85 85 27130 1 . LYS 86 86 27130 1 . SER 87 87 27130 1 . TYR 88 88 27130 1 . PRO 89 89 27130 1 . ALA 90 90 27130 1 . GLY 91 91 27130 1 . GLU 92 92 27130 1 . TYR 93 93 27130 1 . THR 94 94 27130 1 . ILE 95 95 27130 1 . ASN 96 96 27130 1 . ALA 97 97 27130 1 . GLN 98 98 27130 1 . VAL 99 99 27130 1 . VAL 100 100 27130 1 . ASP 101 101 27130 1 . ILE 102 102 27130 1 . VAL 103 103 27130 1 . SER 104 104 27130 1 . GLY 105 105 27130 1 . GLU 106 106 27130 1 . ARG 107 107 27130 1 . VAL 108 108 27130 1 . GLU 109 109 27130 1 . GLN 110 110 27130 1 . SER 111 111 27130 1 . MET 112 112 27130 1 . THR 113 113 27130 1 . VAL 114 114 27130 1 . VAL 115 115 27130 1 . LYS 116 116 27130 1 . LYS 117 117 27130 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 27130 _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 $RbmA_FnIII-2_domain . 666 organism . 'Vibrio cholerae' 'Vibrio cholerae' . . Bacteria . Vibrio cholerae . . . . . . . . . . . RbmA . 27130 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 27130 _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 $RbmA_FnIII-2_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pHisGST-TEV . . 'residues 160-271 constituting the isolated FnIII-2 domain along with 5 vector residues left after TEV cleavage' 27130 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27130 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RbmA FnIII-2 domain' '[U-100% 13C; U-100% 15N]' . . 1 $RbmA_FnIII-2_domain . . 300 . . mM . . . . 27130 1 2 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 27130 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 27130 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 27130 _Sample_condition_list.ID 1 _Sample_condition_list.Details '10 mM HEPES pH 7.0, 100 mM NaCl, 10% D2O' 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' 100 . mM 27130 1 pH 7.0 . pH 27130 1 pressure 1 . atm 27130 1 temperature 308 . K 27130 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 27130 _Software.ID 1 _Software.Name NMRView _Software.Version v9.2.0-b4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 27130 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27130 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27130 _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' . . 27130 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27130 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 27130 _Software.ID 3 _Software.Name NMRDraw _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' . . 27130 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27130 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 27130 _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 27130 _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 . . . 27130 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 27130 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27130 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27130 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27130 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27130 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27130 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_DSS _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode DSS _Chem_shift_reference.Entry_ID 27130 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27130 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27130 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27130 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 27130 _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 $DSS _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' . . . 27130 1 2 '3D HNCO' . . . 27130 1 3 '3D HNCACB' . . . 27130 1 4 '3D CBCA(CO)NH' . . . 27130 1 5 '3D C(CO)NH' . . . 27130 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 ALA CA C 13 53.4950 0.0000 . 1 . . . . 156 ALA CA . 27130 1 2 . 1 1 2 2 ALA CB C 13 19.3990 0.0000 . 1 . . . . 156 ALA CB . 27130 1 3 . 1 1 3 3 MET H H 1 8.4480 0.0000 . 1 . . . . 157 MET H . 27130 1 4 . 1 1 3 3 MET HG3 H 1 0.0000 0.0000 . 2 . . . . 157 MET HG3 . 27130 1 5 . 1 1 3 3 MET CA C 13 55.1700 0.0000 . 1 . . . . 157 MET CA . 27130 1 6 . 1 1 3 3 MET CB C 13 32.6640 0.0000 . 1 . . . . 157 MET CB . 27130 1 7 . 1 1 3 3 MET N N 15 117.6220 0.0000 . 1 . . . . 157 MET N . 27130 1 8 . 1 1 4 4 ASP H H 1 8.0010 0.0000 . 1 . . . . 158 ASP H . 27130 1 9 . 1 1 4 4 ASP CA C 13 53.0910 0.0000 . 1 . . . . 158 ASP CA . 27130 1 10 . 1 1 4 4 ASP CB C 13 40.7280 0.0000 . 1 . . . . 158 ASP CB . 27130 1 11 . 1 1 4 4 ASP N N 15 122.6470 0.0000 . 1 . . . . 158 ASP N . 27130 1 12 . 1 1 5 5 PRO CA C 13 63.5170 0.0000 . 1 . . . . 159 PRO CA . 27130 1 13 . 1 1 5 5 PRO CB C 13 32.0890 0.0000 . 1 . . . . 159 PRO CB . 27130 1 14 . 1 1 6 6 GLU H H 1 8.2070 0.0000 . 1 . . . . 160 GLU H . 27130 1 15 . 1 1 6 6 GLU CA C 13 55.3470 0.0000 . 1 . . . . 160 GLU CA . 27130 1 16 . 1 1 6 6 GLU CB C 13 32.3570 0.0000 . 1 . . . . 160 GLU CB . 27130 1 17 . 1 1 6 6 GLU N N 15 119.6250 0.0000 . 1 . . . . 160 GLU N . 27130 1 18 . 1 1 7 7 LEU H H 1 8.7030 0.0000 . 1 . . . . 161 LEU H . 27130 1 19 . 1 1 7 7 LEU CA C 13 53.2470 0.0000 . 1 . . . . 161 LEU CA . 27130 1 20 . 1 1 7 7 LEU CB C 13 42.7120 0.0000 . 1 . . . . 161 LEU CB . 27130 1 21 . 1 1 7 7 LEU N N 15 123.3160 0.0000 . 1 . . . . 161 LEU N . 27130 1 22 . 1 1 8 8 ASN H H 1 9.1200 0.0000 . 1 . . . . 162 ASN H . 27130 1 23 . 1 1 8 8 ASN HD21 H 1 7.5955 0.0000 . 2 . . . . 162 ASN HD21 . 27130 1 24 . 1 1 8 8 ASN HD22 H 1 6.8447 0.0000 . 2 . . . . 162 ASN HD22 . 27130 1 25 . 1 1 8 8 ASN CA C 13 54.2330 0.0000 . 1 . . . . 162 ASN CA . 27130 1 26 . 1 1 8 8 ASN CB C 13 38.9040 0.0000 . 1 . . . . 162 ASN CB . 27130 1 27 . 1 1 8 8 ASN N N 15 124.5810 0.0000 . 1 . . . . 162 ASN N . 27130 1 28 . 1 1 8 8 ASN ND2 N 15 112.1597 0.0000 . 1 . . . . 162 ASN ND2 . 27130 1 29 . 1 1 9 9 GLY H H 1 8.8680 0.0000 . 1 . . . . 163 GLY H . 27130 1 30 . 1 1 9 9 GLY CA C 13 45.7560 0.0000 . 1 . . . . 163 GLY CA . 27130 1 31 . 1 1 9 9 GLY N N 15 109.1390 0.0000 . 1 . . . . 163 GLY N . 27130 1 32 . 1 1 10 10 LEU H H 1 7.6700 0.0000 . 1 . . . . 164 LEU H . 27130 1 33 . 1 1 10 10 LEU CA C 13 53.4320 0.0000 . 1 . . . . 164 LEU CA . 27130 1 34 . 1 1 10 10 LEU CB C 13 43.4090 0.0000 . 1 . . . . 164 LEU CB . 27130 1 35 . 1 1 10 10 LEU N N 15 123.7230 0.0000 . 1 . . . . 164 LEU N . 27130 1 36 . 1 1 11 11 THR H H 1 8.8830 0.0000 . 1 . . . . 165 THR H . 27130 1 37 . 1 1 11 11 THR CA C 13 62.0270 0.0000 . 1 . . . . 165 THR CA . 27130 1 38 . 1 1 11 11 THR CB C 13 70.0680 0.0000 . 1 . . . . 165 THR CB . 27130 1 39 . 1 1 11 11 THR N N 15 120.4200 0.0000 . 1 . . . . 165 THR N . 27130 1 40 . 1 1 12 12 ILE H H 1 8.2920 0.0000 . 1 . . . . 166 ILE H . 27130 1 41 . 1 1 12 12 ILE CA C 13 60.5270 0.0000 . 1 . . . . 166 ILE CA . 27130 1 42 . 1 1 12 12 ILE CB C 13 41.7150 0.0000 . 1 . . . . 166 ILE CB . 27130 1 43 . 1 1 12 12 ILE N N 15 123.7690 0.0000 . 1 . . . . 166 ILE N . 27130 1 44 . 1 1 13 13 ASP H H 1 8.6740 0.0000 . 1 . . . . 167 ASP H . 27130 1 45 . 1 1 13 13 ASP CA C 13 53.2190 0.0000 . 1 . . . . 167 ASP CA . 27130 1 46 . 1 1 13 13 ASP CB C 13 43.7650 0.0000 . 1 . . . . 167 ASP CB . 27130 1 47 . 1 1 13 13 ASP N N 15 126.6520 0.0000 . 1 . . . . 167 ASP N . 27130 1 48 . 1 1 14 14 ILE H H 1 8.7500 0.0000 . 1 . . . . 168 ILE H . 27130 1 49 . 1 1 14 14 ILE CA C 13 60.1910 0.0000 . 1 . . . . 168 ILE CA . 27130 1 50 . 1 1 14 14 ILE CB C 13 39.9090 0.0000 . 1 . . . . 168 ILE CB . 27130 1 51 . 1 1 14 14 ILE N N 15 127.7680 0.0000 . 1 . . . . 168 ILE N . 27130 1 52 . 1 1 15 15 LYS H H 1 8.7950 0.0000 . 1 . . . . 169 LYS H . 27130 1 53 . 1 1 15 15 LYS CA C 13 54.8100 0.0000 . 1 . . . . 169 LYS CA . 27130 1 54 . 1 1 15 15 LYS CB C 13 36.3860 0.0000 . 1 . . . . 169 LYS CB . 27130 1 55 . 1 1 15 15 LYS N N 15 124.0830 0.0000 . 1 . . . . 169 LYS N . 27130 1 56 . 1 1 16 16 ASN H H 1 8.7500 0.0000 . 1 . . . . 170 ASN H . 27130 1 57 . 1 1 16 16 ASN HD21 H 1 7.7860 0.0000 . 2 . . . . 170 ASN HD21 . 27130 1 58 . 1 1 16 16 ASN HD22 H 1 7.1834 0.0000 . 2 . . . . 170 ASN HD22 . 27130 1 59 . 1 1 16 16 ASN CA C 13 53.4460 0.0000 . 1 . . . . 170 ASN CA . 27130 1 60 . 1 1 16 16 ASN CB C 13 38.1110 0.0000 . 1 . . . . 170 ASN CB . 27130 1 61 . 1 1 16 16 ASN N N 15 121.1470 0.0000 . 1 . . . . 170 ASN N . 27130 1 62 . 1 1 16 16 ASN ND2 N 15 114.8366 0.0000 . 1 . . . . 170 ASN ND2 . 27130 1 63 . 1 1 17 17 GLN H H 1 7.8550 0.0000 . 1 . . . . 171 GLN H . 27130 1 64 . 1 1 17 17 GLN HE21 H 1 6.8100 0.0000 . 2 . . . . 171 GLN HE21 . 27130 1 65 . 1 1 17 17 GLN HE22 H 1 6.0400 0.0000 . 2 . . . . 171 GLN HE22 . 27130 1 66 . 1 1 17 17 GLN CA C 13 59.9720 0.0000 . 1 . . . . 171 GLN CA . 27130 1 67 . 1 1 17 17 GLN CB C 13 29.3440 0.0000 . 1 . . . . 171 GLN CB . 27130 1 68 . 1 1 17 17 GLN N N 15 129.3670 0.0000 . 1 . . . . 171 GLN N . 27130 1 69 . 1 1 17 17 GLN NE2 N 15 106.3800 0.0000 . 1 . . . . 171 GLN NE2 . 27130 1 70 . 1 1 18 18 PHE H H 1 9.1800 0.0000 . 1 . . . . 172 PHE H . 27130 1 71 . 1 1 18 18 PHE CA C 13 56.3780 0.0000 . 1 . . . . 172 PHE CA . 27130 1 72 . 1 1 18 18 PHE CB C 13 38.9960 0.0000 . 1 . . . . 172 PHE CB . 27130 1 73 . 1 1 18 18 PHE N N 15 115.1890 0.0000 . 1 . . . . 172 PHE N . 27130 1 74 . 1 1 19 19 GLY H H 1 7.7260 0.0000 . 1 . . . . 173 GLY H . 27130 1 75 . 1 1 19 19 GLY CA C 13 47.1070 0.0000 . 1 . . . . 173 GLY CA . 27130 1 76 . 1 1 19 19 GLY N N 15 110.8780 0.0000 . 1 . . . . 173 GLY N . 27130 1 77 . 1 1 20 20 ILE H H 1 7.5120 0.0000 . 1 . . . . 174 ILE H . 27130 1 78 . 1 1 20 20 ILE CA C 13 61.2590 0.0000 . 1 . . . . 174 ILE CA . 27130 1 79 . 1 1 20 20 ILE CB C 13 38.5600 0.0000 . 1 . . . . 174 ILE CB . 27130 1 80 . 1 1 20 20 ILE N N 15 119.0760 0.0000 . 1 . . . . 174 ILE N . 27130 1 81 . 1 1 21 21 ASN HD21 H 1 7.4511 0.0000 . 2 . . . . 175 ASN HD21 . 27130 1 82 . 1 1 21 21 ASN HD22 H 1 6.7789 0.0000 . 2 . . . . 175 ASN HD22 . 27130 1 83 . 1 1 21 21 ASN CA C 13 53.3290 0.0000 . 1 . . . . 175 ASN CA . 27130 1 84 . 1 1 21 21 ASN CB C 13 39.7360 0.0000 . 1 . . . . 175 ASN CB . 27130 1 85 . 1 1 21 21 ASN ND2 N 15 112.1197 0.0000 . 1 . . . . 175 ASN ND2 . 27130 1 86 . 1 1 22 22 SER H H 1 7.7110 0.0000 . 1 . . . . 176 SER H . 27130 1 87 . 1 1 22 22 SER CA C 13 56.3620 0.0000 . 1 . . . . 176 SER CA . 27130 1 88 . 1 1 22 22 SER CB C 13 65.6140 0.0000 . 1 . . . . 176 SER CB . 27130 1 89 . 1 1 22 22 SER N N 15 114.5120 0.0000 . 1 . . . . 176 SER N . 27130 1 90 . 1 1 23 23 VAL H H 1 8.6850 0.0000 . 1 . . . . 177 VAL H . 27130 1 91 . 1 1 23 23 VAL CA C 13 59.5440 0.0000 . 1 . . . . 177 VAL CA . 27130 1 92 . 1 1 23 23 VAL CB C 13 34.5980 0.0000 . 1 . . . . 177 VAL CB . 27130 1 93 . 1 1 23 23 VAL N N 15 118.8290 0.0000 . 1 . . . . 177 VAL N . 27130 1 94 . 1 1 24 24 GLU H H 1 8.2820 0.0000 . 1 . . . . 178 GLU H . 27130 1 95 . 1 1 24 24 GLU CA C 13 56.0520 0.0000 . 1 . . . . 178 GLU CA . 27130 1 96 . 1 1 24 24 GLU CB C 13 30.8280 0.0000 . 1 . . . . 178 GLU CB . 27130 1 97 . 1 1 24 24 GLU N N 15 121.0350 0.0000 . 1 . . . . 178 GLU N . 27130 1 98 . 1 1 25 25 SER H H 1 9.1750 0.0000 . 1 . . . . 179 SER H . 27130 1 99 . 1 1 25 25 SER CA C 13 61.6010 0.0000 . 1 . . . . 179 SER CA . 27130 1 100 . 1 1 25 25 SER CB C 13 63.0650 0.0000 . 1 . . . . 179 SER CB . 27130 1 101 . 1 1 25 25 SER N N 15 116.8280 0.0000 . 1 . . . . 179 SER N . 27130 1 102 . 1 1 26 26 THR H H 1 7.1100 0.0000 . 1 . . . . 180 THR H . 27130 1 103 . 1 1 26 26 THR CA C 13 62.0380 0.0000 . 1 . . . . 180 THR CA . 27130 1 104 . 1 1 26 26 THR CB C 13 68.5050 0.0000 . 1 . . . . 180 THR CB . 27130 1 105 . 1 1 26 26 THR N N 15 106.1590 0.0000 . 1 . . . . 180 THR N . 27130 1 106 . 1 1 27 27 GLY H H 1 8.0080 0.0000 . 1 . . . . 181 GLY H . 27130 1 107 . 1 1 27 27 GLY CA C 13 43.8370 0.0000 . 1 . . . . 181 GLY CA . 27130 1 108 . 1 1 27 27 GLY N N 15 109.1070 0.0000 . 1 . . . . 181 GLY N . 27130 1 109 . 1 1 28 28 GLY H H 1 8.3880 0.0000 . 1 . . . . 182 GLY H . 27130 1 110 . 1 1 28 28 GLY CA C 13 45.3910 0.0000 . 1 . . . . 182 GLY CA . 27130 1 111 . 1 1 28 28 GLY N N 15 107.6530 0.0000 . 1 . . . . 182 GLY N . 27130 1 112 . 1 1 29 29 PHE H H 1 8.5060 0.0000 . 1 . . . . 183 PHE H . 27130 1 113 . 1 1 29 29 PHE CA C 13 56.8610 0.0000 . 1 . . . . 183 PHE CA . 27130 1 114 . 1 1 29 29 PHE CB C 13 41.5880 0.0000 . 1 . . . . 183 PHE CB . 27130 1 115 . 1 1 29 29 PHE N N 15 122.0070 0.0000 . 1 . . . . 183 PHE N . 27130 1 116 . 1 1 30 30 VAL H H 1 8.2420 0.0000 . 1 . . . . 184 VAL H . 27130 1 117 . 1 1 30 30 VAL CA C 13 59.3230 0.0000 . 1 . . . . 184 VAL CA . 27130 1 118 . 1 1 30 30 VAL CB C 13 34.0647 0.0000 . 1 . . . . 184 VAL CB . 27130 1 119 . 1 1 30 30 VAL N N 15 128.0990 0.0000 . 1 . . . . 184 VAL N . 27130 1 120 . 1 1 31 31 PRO CA C 13 61.4220 0.0000 . 1 . . . . 185 PRO CA . 27130 1 121 . 1 1 32 32 PHE H H 1 8.5740 0.0000 . 1 . . . . 186 PHE H . 27130 1 122 . 1 1 32 32 PHE CA C 13 56.5610 0.0000 . 1 . . . . 186 PHE CA . 27130 1 123 . 1 1 32 32 PHE CB C 13 40.7100 0.0000 . 1 . . . . 186 PHE CB . 27130 1 124 . 1 1 32 32 PHE N N 15 119.8400 0.0000 . 1 . . . . 186 PHE N . 27130 1 125 . 1 1 33 33 THR H H 1 9.0120 0.0000 . 1 . . . . 187 THR H . 27130 1 126 . 1 1 33 33 THR CA C 13 60.5510 0.0000 . 1 . . . . 187 THR CA . 27130 1 127 . 1 1 33 33 THR CB C 13 69.7250 0.0000 . 1 . . . . 187 THR CB . 27130 1 128 . 1 1 33 33 THR N N 15 112.9690 0.0000 . 1 . . . . 187 THR N . 27130 1 129 . 1 1 34 34 VAL H H 1 8.6820 0.0000 . 1 . . . . 188 VAL H . 27130 1 130 . 1 1 34 34 VAL CA C 13 61.2830 0.0000 . 1 . . . . 188 VAL CA . 27130 1 131 . 1 1 34 34 VAL CB C 13 33.5050 0.0000 . 1 . . . . 188 VAL CB . 27130 1 132 . 1 1 34 34 VAL N N 15 123.6470 0.0000 . 1 . . . . 188 VAL N . 27130 1 133 . 1 1 35 35 ASP H H 1 8.6770 0.0000 . 1 . . . . 189 ASP H . 27130 1 134 . 1 1 35 35 ASP CA C 13 53.4070 0.0000 . 1 . . . . 189 ASP CA . 27130 1 135 . 1 1 35 35 ASP CB C 13 43.7270 0.0000 . 1 . . . . 189 ASP CB . 27130 1 136 . 1 1 35 35 ASP N N 15 125.8680 0.0000 . 1 . . . . 189 ASP N . 27130 1 137 . 1 1 36 36 LEU H H 1 9.1690 0.0000 . 1 . . . . 190 LEU H . 27130 1 138 . 1 1 36 36 LEU CA C 13 53.6780 0.0000 . 1 . . . . 190 LEU CA . 27130 1 139 . 1 1 36 36 LEU CB C 13 45.1460 0.0000 . 1 . . . . 190 LEU CB . 27130 1 140 . 1 1 36 36 LEU N N 15 124.5680 0.0000 . 1 . . . . 190 LEU N . 27130 1 141 . 1 1 37 37 ASN H H 1 8.3810 0.0000 . 1 . . . . 191 ASN H . 27130 1 142 . 1 1 37 37 ASN HD21 H 1 7.2837 0.0000 . 2 . . . . 191 ASN HD21 . 27130 1 143 . 1 1 37 37 ASN HD22 H 1 6.5870 0.0000 . 2 . . . . 191 ASN HD22 . 27130 1 144 . 1 1 37 37 ASN CA C 13 52.7060 0.0000 . 1 . . . . 191 ASN CA . 27130 1 145 . 1 1 37 37 ASN CB C 13 40.8570 0.0000 . 1 . . . . 191 ASN CB . 27130 1 146 . 1 1 37 37 ASN N N 15 120.7640 0.0000 . 1 . . . . 191 ASN N . 27130 1 147 . 1 1 37 37 ASN ND2 N 15 111.5069 0.0000 . 1 . . . . 191 ASN ND2 . 27130 1 148 . 1 1 38 38 ASN H H 1 8.6620 0.0000 . 1 . . . . 192 ASN H . 27130 1 149 . 1 1 38 38 ASN HD21 H 1 7.2047 0.0000 . 2 . . . . 192 ASN HD21 . 27130 1 150 . 1 1 38 38 ASN HD22 H 1 6.2661 0.0000 . 2 . . . . 192 ASN HD22 . 27130 1 151 . 1 1 38 38 ASN CA C 13 52.4430 0.0000 . 1 . . . . 192 ASN CA . 27130 1 152 . 1 1 38 38 ASN CB C 13 38.3240 0.0000 . 1 . . . . 192 ASN CB . 27130 1 153 . 1 1 38 38 ASN N N 15 122.4600 0.0000 . 1 . . . . 192 ASN N . 27130 1 154 . 1 1 38 38 ASN ND2 N 15 109.1076 0.0000 . 1 . . . . 192 ASN ND2 . 27130 1 155 . 1 1 39 39 GLY H H 1 8.2550 0.0000 . 1 . . . . 193 GLY H . 27130 1 156 . 1 1 39 39 GLY CA C 13 45.3940 0.0000 . 1 . . . . 193 GLY CA . 27130 1 157 . 1 1 39 39 GLY N N 15 114.9260 0.0000 . 1 . . . . 193 GLY N . 27130 1 158 . 1 1 40 40 ARG H H 1 7.9370 0.0000 . 1 . . . . 194 ARG H . 27130 1 159 . 1 1 40 40 ARG CA C 13 55.8000 0.0000 . 1 . . . . 194 ARG CA . 27130 1 160 . 1 1 40 40 ARG CB C 13 32.3470 0.0000 . 1 . . . . 194 ARG CB . 27130 1 161 . 1 1 40 40 ARG N N 15 118.8490 0.0000 . 1 . . . . 194 ARG N . 27130 1 162 . 1 1 41 41 GLU H H 1 8.7150 0.0000 . 1 . . . . 195 GLU H . 27130 1 163 . 1 1 41 41 GLU CA C 13 57.4260 0.0000 . 1 . . . . 195 GLU CA . 27130 1 164 . 1 1 41 41 GLU CB C 13 29.9400 0.0000 . 1 . . . . 195 GLU CB . 27130 1 165 . 1 1 41 41 GLU N N 15 118.8530 0.0000 . 1 . . . . 195 GLU N . 27130 1 166 . 1 1 42 42 GLY H H 1 7.2860 0.0000 . 1 . . . . 196 GLY H . 27130 1 167 . 1 1 42 42 GLY CA C 13 43.4350 0.0000 . 1 . . . . 196 GLY CA . 27130 1 168 . 1 1 42 42 GLY N N 15 106.7770 0.0000 . 1 . . . . 196 GLY N . 27130 1 169 . 1 1 43 43 GLU H H 1 8.2340 0.0000 . 1 . . . . 197 GLU H . 27130 1 170 . 1 1 43 43 GLU CA C 13 56.5350 0.0000 . 1 . . . . 197 GLU CA . 27130 1 171 . 1 1 43 43 GLU CB C 13 31.0270 0.0000 . 1 . . . . 197 GLU CB . 27130 1 172 . 1 1 43 43 GLU N N 15 118.0750 0.0000 . 1 . . . . 197 GLU N . 27130 1 173 . 1 1 44 44 ALA H H 1 8.8540 0.0000 . 1 . . . . 198 ALA H . 27130 1 174 . 1 1 44 44 ALA CA C 13 50.5410 0.0000 . 1 . . . . 198 ALA CA . 27130 1 175 . 1 1 44 44 ALA CB C 13 21.9120 0.0000 . 1 . . . . 198 ALA CB . 27130 1 176 . 1 1 44 44 ALA N N 15 127.0160 0.0000 . 1 . . . . 198 ALA N . 27130 1 177 . 1 1 45 45 ASN H H 1 9.1400 0.0000 . 1 . . . . 199 ASN H . 27130 1 178 . 1 1 45 45 ASN HD21 H 1 7.2283 0.0000 . 2 . . . . 199 ASN HD21 . 27130 1 179 . 1 1 45 45 ASN HD22 H 1 7.0283 0.0000 . 2 . . . . 199 ASN HD22 . 27130 1 180 . 1 1 45 45 ASN CA C 13 52.7630 0.0000 . 1 . . . . 199 ASN CA . 27130 1 181 . 1 1 45 45 ASN CB C 13 41.6640 0.0000 . 1 . . . . 199 ASN CB . 27130 1 182 . 1 1 45 45 ASN N N 15 123.6810 0.0000 . 1 . . . . 199 ASN N . 27130 1 183 . 1 1 45 45 ASN ND2 N 15 111.5075 0.0000 . 1 . . . . 199 ASN ND2 . 27130 1 184 . 1 1 46 46 VAL H H 1 8.7710 0.0000 . 1 . . . . 200 VAL H . 27130 1 185 . 1 1 46 46 VAL CA C 13 57.7730 0.0000 . 1 . . . . 200 VAL CA . 27130 1 186 . 1 1 46 46 VAL CB C 13 35.8080 0.0000 . 1 . . . . 200 VAL CB . 27130 1 187 . 1 1 46 46 VAL N N 15 114.8520 0.0000 . 1 . . . . 200 VAL N . 27130 1 188 . 1 1 47 47 GLU H H 1 9.1430 0.0000 . 1 . . . . 201 GLU H . 27130 1 189 . 1 1 47 47 GLU CA C 13 54.1630 0.0000 . 1 . . . . 201 GLU CA . 27130 1 190 . 1 1 47 47 GLU CB C 13 33.9110 0.0000 . 1 . . . . 201 GLU CB . 27130 1 191 . 1 1 47 47 GLU N N 15 120.7990 0.0000 . 1 . . . . 201 GLU N . 27130 1 192 . 1 1 48 48 PHE H H 1 8.5890 0.0000 . 1 . . . . 202 PHE H . 27130 1 193 . 1 1 48 48 PHE CA C 13 55.6080 0.0000 . 1 . . . . 202 PHE CA . 27130 1 194 . 1 1 48 48 PHE CB C 13 43.0270 0.0000 . 1 . . . . 202 PHE CB . 27130 1 195 . 1 1 48 48 PHE N N 15 123.8280 0.0000 . 1 . . . . 202 PHE N . 27130 1 196 . 1 1 49 49 TRP H H 1 7.7540 0.0000 . 1 . . . . 203 TRP H . 27130 1 197 . 1 1 49 49 TRP CA C 13 56.3400 0.0000 . 1 . . . . 203 TRP CA . 27130 1 198 . 1 1 49 49 TRP CB C 13 32.2790 0.0000 . 1 . . . . 203 TRP CB . 27130 1 199 . 1 1 49 49 TRP N N 15 124.7740 0.0000 . 1 . . . . 203 TRP N . 27130 1 200 . 1 1 50 50 MET H H 1 7.9900 0.0000 . 1 . . . . 204 MET H . 27130 1 201 . 1 1 50 50 MET CA C 13 54.4030 0.0000 . 1 . . . . 204 MET CA . 27130 1 202 . 1 1 50 50 MET CB C 13 37.8880 0.0000 . 1 . . . . 204 MET CB . 27130 1 203 . 1 1 50 50 MET N N 15 119.2160 0.0000 . 1 . . . . 204 MET N . 27130 1 204 . 1 1 51 51 THR H H 1 8.5300 0.0000 . 1 . . . . 205 THR H . 27130 1 205 . 1 1 51 51 THR CA C 13 60.3930 0.0000 . 1 . . . . 205 THR CA . 27130 1 206 . 1 1 51 51 THR CB C 13 72.3070 0.0000 . 1 . . . . 205 THR CB . 27130 1 207 . 1 1 51 51 THR N N 15 115.7050 0.0000 . 1 . . . . 205 THR N . 27130 1 208 . 1 1 52 52 ALA H H 1 8.7960 0.0000 . 1 . . . . 206 ALA H . 27130 1 209 . 1 1 52 52 ALA CA C 13 50.8200 0.0000 . 1 . . . . 206 ALA CA . 27130 1 210 . 1 1 52 52 ALA CB C 13 22.4890 0.0000 . 1 . . . . 206 ALA CB . 27130 1 211 . 1 1 52 52 ALA N N 15 123.8980 0.0000 . 1 . . . . 206 ALA N . 27130 1 212 . 1 1 53 53 VAL H H 1 8.7930 0.0000 . 1 . . . . 207 VAL H . 27130 1 213 . 1 1 53 53 VAL CA C 13 60.9390 0.0000 . 1 . . . . 207 VAL CA . 27130 1 214 . 1 1 53 53 VAL CB C 13 34.2680 0.0000 . 1 . . . . 207 VAL CB . 27130 1 215 . 1 1 53 53 VAL N N 15 121.4840 0.0000 . 1 . . . . 207 VAL N . 27130 1 216 . 1 1 54 54 GLY H H 1 9.2260 0.0000 . 1 . . . . 208 GLY H . 27130 1 217 . 1 1 54 54 GLY CA C 13 45.0030 0.0000 . 1 . . . . 208 GLY CA . 27130 1 218 . 1 1 54 54 GLY N N 15 114.5940 0.0000 . 1 . . . . 208 GLY N . 27130 1 219 . 1 1 55 55 PRO CA C 13 63.5640 0.0000 . 1 . . . . 209 PRO CA . 27130 1 220 . 1 1 55 55 PRO CB C 13 32.1980 0.0000 . 1 . . . . 209 PRO CB . 27130 1 221 . 1 1 56 56 ASP H H 1 8.6150 0.0000 . 1 . . . . 210 ASP H . 27130 1 222 . 1 1 56 56 ASP CA C 13 54.7310 0.0000 . 1 . . . . 210 ASP CA . 27130 1 223 . 1 1 56 56 ASP CB C 13 40.0710 0.0000 . 1 . . . . 210 ASP CB . 27130 1 224 . 1 1 56 56 ASP N N 15 118.1550 0.0000 . 1 . . . . 210 ASP N . 27130 1 225 . 1 1 57 57 GLY H H 1 8.1130 0.0000 . 1 . . . . 211 GLY H . 27130 1 226 . 1 1 57 57 GLY CA C 13 45.7330 0.0000 . 1 . . . . 211 GLY CA . 27130 1 227 . 1 1 57 57 GLY N N 15 105.7160 0.0000 . 1 . . . . 211 GLY N . 27130 1 228 . 1 1 58 58 LEU H H 1 7.0220 0.0000 . 1 . . . . 212 LEU H . 27130 1 229 . 1 1 58 58 LEU CA C 13 55.6460 0.0000 . 1 . . . . 212 LEU CA . 27130 1 230 . 1 1 58 58 LEU CB C 13 42.8360 0.0000 . 1 . . . . 212 LEU CB . 27130 1 231 . 1 1 58 58 LEU N N 15 122.5730 0.0000 . 1 . . . . 212 LEU N . 27130 1 232 . 1 1 59 59 ILE H H 1 8.3020 0.0000 . 1 . . . . 213 ILE H . 27130 1 233 . 1 1 59 59 ILE CA C 13 60.5880 0.0000 . 1 . . . . 213 ILE CA . 27130 1 234 . 1 1 59 59 ILE CB C 13 38.7520 0.0000 . 1 . . . . 213 ILE CB . 27130 1 235 . 1 1 59 59 ILE N N 15 127.2580 0.0000 . 1 . . . . 213 ILE N . 27130 1 236 . 1 1 60 60 ILE H H 1 8.4550 0.0000 . 1 . . . . 214 ILE H . 27130 1 237 . 1 1 60 60 ILE CA C 13 58.0930 0.0000 . 1 . . . . 214 ILE CA . 27130 1 238 . 1 1 60 60 ILE CB C 13 39.3240 0.0000 . 1 . . . . 214 ILE CB . 27130 1 239 . 1 1 60 60 ILE N N 15 127.5260 0.0000 . 1 . . . . 214 ILE N . 27130 1 240 . 1 1 61 61 PRO CA C 13 63.2370 0.0000 . 1 . . . . 215 PRO CA . 27130 1 241 . 1 1 61 61 PRO CB C 13 31.4270 0.0000 . 1 . . . . 215 PRO CB . 27130 1 242 . 1 1 62 62 VAL H H 1 8.0150 0.0000 . 1 . . . . 216 VAL H . 27130 1 243 . 1 1 62 62 VAL CA C 13 62.4860 0.0000 . 1 . . . . 216 VAL CA . 27130 1 244 . 1 1 62 62 VAL CB C 13 33.8850 0.0000 . 1 . . . . 216 VAL CB . 27130 1 245 . 1 1 62 62 VAL N N 15 121.7000 0.0000 . 1 . . . . 216 VAL N . 27130 1 246 . 1 1 63 63 ASN H H 1 8.3150 0.0000 . 1 . . . . 217 ASN H . 27130 1 247 . 1 1 63 63 ASN HD21 H 1 7.9027 0.0000 . 2 . . . . 217 ASN HD21 . 27130 1 248 . 1 1 63 63 ASN HD22 H 1 7.3868 0.0000 . 2 . . . . 217 ASN HD22 . 27130 1 249 . 1 1 63 63 ASN CA C 13 53.6160 0.0000 . 1 . . . . 217 ASN CA . 27130 1 250 . 1 1 63 63 ASN CB C 13 41.5030 0.0000 . 1 . . . . 217 ASN CB . 27130 1 251 . 1 1 63 63 ASN N N 15 119.5200 0.0000 . 1 . . . . 217 ASN N . 27130 1 252 . 1 1 63 63 ASN ND2 N 15 113.4200 0.0000 . 1 . . . . 217 ASN ND2 . 27130 1 253 . 1 1 64 64 ALA H H 1 8.4810 0.0000 . 1 . . . . 218 ALA H . 27130 1 254 . 1 1 64 64 ALA CA C 13 52.3010 0.0000 . 1 . . . . 218 ALA CA . 27130 1 255 . 1 1 64 64 ALA CB C 13 19.8490 0.0000 . 1 . . . . 218 ALA CB . 27130 1 256 . 1 1 64 64 ALA N N 15 125.6850 0.0000 . 1 . . . . 218 ALA N . 27130 1 257 . 1 1 65 65 ARG H H 1 7.9170 0.0000 . 1 . . . . 219 ARG H . 27130 1 258 . 1 1 65 65 ARG CA C 13 57.0190 0.0000 . 1 . . . . 219 ARG CA . 27130 1 259 . 1 1 65 65 ARG CB C 13 30.7570 0.0000 . 1 . . . . 219 ARG CB . 27130 1 260 . 1 1 65 65 ARG N N 15 119.6400 0.0000 . 1 . . . . 219 ARG N . 27130 1 261 . 1 1 66 66 GLU H H 1 8.7270 0.0000 . 1 . . . . 220 GLU H . 27130 1 262 . 1 1 66 66 GLU CA C 13 55.2050 0.0000 . 1 . . . . 220 GLU CA . 27130 1 263 . 1 1 66 66 GLU CB C 13 34.1800 0.0000 . 1 . . . . 220 GLU CB . 27130 1 264 . 1 1 66 66 GLU N N 15 123.7860 0.0000 . 1 . . . . 220 GLU N . 27130 1 265 . 1 1 67 67 LYS H H 1 8.2870 0.0000 . 1 . . . . 221 LYS H . 27130 1 266 . 1 1 67 67 LYS CA C 13 55.3050 0.0000 . 1 . . . . 221 LYS CA . 27130 1 267 . 1 1 67 67 LYS CB C 13 34.0660 0.0000 . 1 . . . . 221 LYS CB . 27130 1 268 . 1 1 67 67 LYS N N 15 121.4440 0.0000 . 1 . . . . 221 LYS N . 27130 1 269 . 1 1 68 68 TRP H H 1 9.1920 0.0000 . 1 . . . . 222 TRP H . 27130 1 270 . 1 1 68 68 TRP CA C 13 53.4780 0.0000 . 1 . . . . 222 TRP CA . 27130 1 271 . 1 1 68 68 TRP CB C 13 32.3920 0.0000 . 1 . . . . 222 TRP CB . 27130 1 272 . 1 1 68 68 TRP N N 15 126.4660 0.0000 . 1 . . . . 222 TRP N . 27130 1 273 . 1 1 69 69 VAL H H 1 8.2230 0.0000 . 1 . . . . 223 VAL H . 27130 1 274 . 1 1 69 69 VAL CA C 13 61.2250 0.0000 . 1 . . . . 223 VAL CA . 27130 1 275 . 1 1 69 69 VAL CB C 13 33.3570 0.0000 . 1 . . . . 223 VAL CB . 27130 1 276 . 1 1 69 69 VAL N N 15 122.6280 0.0000 . 1 . . . . 223 VAL N . 27130 1 277 . 1 1 70 70 ILE H H 1 8.9260 0.0000 . 1 . . . . 224 ILE H . 27130 1 278 . 1 1 70 70 ILE CA C 13 60.0350 0.0000 . 1 . . . . 224 ILE CA . 27130 1 279 . 1 1 70 70 ILE CB C 13 40.7350 0.0000 . 1 . . . . 224 ILE CB . 27130 1 280 . 1 1 70 70 ILE N N 15 126.9440 0.0000 . 1 . . . . 224 ILE N . 27130 1 281 . 1 1 71 71 ALA H H 1 9.3580 0.0000 . 1 . . . . 225 ALA H . 27130 1 282 . 1 1 71 71 ALA CA C 13 52.8660 0.0000 . 1 . . . . 225 ALA CA . 27130 1 283 . 1 1 71 71 ALA CB C 13 19.2000 0.0000 . 1 . . . . 225 ALA CB . 27130 1 284 . 1 1 71 71 ALA N N 15 132.4660 0.0000 . 1 . . . . 225 ALA N . 27130 1 285 . 1 1 72 72 SER H H 1 8.5540 0.0000 . 1 . . . . 226 SER H . 27130 1 286 . 1 1 72 72 SER CA C 13 59.9940 0.0000 . 1 . . . . 226 SER CA . 27130 1 287 . 1 1 72 72 SER CB C 13 62.9280 0.0000 . 1 . . . . 226 SER CB . 27130 1 288 . 1 1 72 72 SER N N 15 114.7680 0.0000 . 1 . . . . 226 SER N . 27130 1 289 . 1 1 73 73 GLY H H 1 8.4980 0.0000 . 1 . . . . 227 GLY H . 27130 1 290 . 1 1 73 73 GLY CA C 13 46.0860 0.0000 . 1 . . . . 227 GLY CA . 27130 1 291 . 1 1 73 73 GLY N N 15 117.1560 0.0000 . 1 . . . . 227 GLY N . 27130 1 292 . 1 1 74 74 ASP H H 1 7.8850 0.0000 . 1 . . . . 228 ASP H . 27130 1 293 . 1 1 74 74 ASP CA C 13 53.4410 0.0000 . 1 . . . . 228 ASP CA . 27130 1 294 . 1 1 74 74 ASP CB C 13 43.3000 0.0000 . 1 . . . . 228 ASP CB . 27130 1 295 . 1 1 74 74 ASP N N 15 121.0480 0.0000 . 1 . . . . 228 ASP N . 27130 1 296 . 1 1 75 75 THR H H 1 8.1690 0.0000 . 1 . . . . 229 THR H . 27130 1 297 . 1 1 75 75 THR CA C 13 60.3840 0.0000 . 1 . . . . 229 THR CA . 27130 1 298 . 1 1 75 75 THR CB C 13 71.2580 0.0000 . 1 . . . . 229 THR CB . 27130 1 299 . 1 1 75 75 THR N N 15 113.2880 0.0000 . 1 . . . . 229 THR N . 27130 1 300 . 1 1 76 76 TYR H H 1 8.8930 0.0000 . 1 . . . . 230 TYR H . 27130 1 301 . 1 1 76 76 TYR CA C 13 57.0960 0.0000 . 1 . . . . 230 TYR CA . 27130 1 302 . 1 1 76 76 TYR CB C 13 42.2130 0.0000 . 1 . . . . 230 TYR CB . 27130 1 303 . 1 1 76 76 TYR N N 15 126.6550 0.0000 . 1 . . . . 230 TYR N . 27130 1 304 . 1 1 77 77 SER H H 1 7.9810 0.0000 . 1 . . . . 231 SER H . 27130 1 305 . 1 1 77 77 SER CA C 13 56.9490 0.0000 . 1 . . . . 231 SER CA . 27130 1 306 . 1 1 77 77 SER CB C 13 65.0390 0.0000 . 1 . . . . 231 SER CB . 27130 1 307 . 1 1 77 77 SER N N 15 120.1780 0.0000 . 1 . . . . 231 SER N . 27130 1 308 . 1 1 78 78 LYS H H 1 8.7810 0.0000 . 1 . . . . 232 LYS H . 27130 1 309 . 1 1 78 78 LYS CA C 13 53.3870 0.0000 . 1 . . . . 232 LYS CA . 27130 1 310 . 1 1 78 78 LYS CB C 13 36.8810 0.0000 . 1 . . . . 232 LYS CB . 27130 1 311 . 1 1 78 78 LYS N N 15 124.7730 0.0000 . 1 . . . . 232 LYS N . 27130 1 312 . 1 1 79 79 VAL H H 1 8.3300 0.0000 . 1 . . . . 233 VAL H . 27130 1 313 . 1 1 79 79 VAL CA C 13 61.8070 0.0000 . 1 . . . . 233 VAL CA . 27130 1 314 . 1 1 79 79 VAL CB C 13 33.0850 0.0000 . 1 . . . . 233 VAL CB . 27130 1 315 . 1 1 79 79 VAL N N 15 122.5650 0.0000 . 1 . . . . 233 VAL N . 27130 1 316 . 1 1 80 80 ARG H H 1 9.2020 0.0000 . 1 . . . . 234 ARG H . 27130 1 317 . 1 1 80 80 ARG CA C 13 53.1170 0.0000 . 1 . . . . 234 ARG CA . 27130 1 318 . 1 1 80 80 ARG CB C 13 34.1870 0.0000 . 1 . . . . 234 ARG CB . 27130 1 319 . 1 1 80 80 ARG N N 15 130.3290 0.0000 . 1 . . . . 234 ARG N . 27130 1 320 . 1 1 81 81 GLY H H 1 8.8304 0.0000 . 1 . . . . 235 GLY H . 27130 1 321 . 1 1 81 81 GLY CA C 13 46.1460 0.0000 . 1 . . . . 235 GLY CA . 27130 1 322 . 1 1 81 81 GLY N N 15 108.0560 0.0000 . 1 . . . . 235 GLY N . 27130 1 323 . 1 1 82 82 ILE H H 1 7.3990 0.0000 . 1 . . . . 236 ILE H . 27130 1 324 . 1 1 82 82 ILE CA C 13 58.4390 0.0000 . 1 . . . . 236 ILE CA . 27130 1 325 . 1 1 82 82 ILE CB C 13 41.2720 0.0000 . 1 . . . . 236 ILE CB . 27130 1 326 . 1 1 82 82 ILE N N 15 117.1490 0.0000 . 1 . . . . 236 ILE N . 27130 1 327 . 1 1 83 83 ASN H H 1 8.8030 0.0000 . 1 . . . . 237 ASN H . 27130 1 328 . 1 1 83 83 ASN HD21 H 1 7.4709 0.0000 . 2 . . . . 237 ASN HD21 . 27130 1 329 . 1 1 83 83 ASN HD22 H 1 6.7908 0.0000 . 2 . . . . 237 ASN HD22 . 27130 1 330 . 1 1 83 83 ASN CA C 13 52.8800 0.0000 . 1 . . . . 237 ASN CA . 27130 1 331 . 1 1 83 83 ASN CB C 13 40.4900 0.0000 . 1 . . . . 237 ASN CB . 27130 1 332 . 1 1 83 83 ASN N N 15 124.8890 0.0000 . 1 . . . . 237 ASN N . 27130 1 333 . 1 1 83 83 ASN ND2 N 15 112.5460 0.0000 . 1 . . . . 237 ASN ND2 . 27130 1 334 . 1 1 84 84 PHE H H 1 9.0270 0.0000 . 1 . . . . 238 PHE H . 27130 1 335 . 1 1 84 84 PHE CA C 13 57.6540 0.0000 . 1 . . . . 238 PHE CA . 27130 1 336 . 1 1 84 84 PHE CB C 13 39.6330 0.0000 . 1 . . . . 238 PHE CB . 27130 1 337 . 1 1 84 84 PHE N N 15 123.8230 0.0000 . 1 . . . . 238 PHE N . 27130 1 338 . 1 1 85 85 ASP H H 1 5.4770 0.0000 . 1 . . . . 239 ASP H . 27130 1 339 . 1 1 85 85 ASP CA C 13 53.6210 0.0000 . 1 . . . . 239 ASP CA . 27130 1 340 . 1 1 85 85 ASP CB C 13 43.6690 0.0000 . 1 . . . . 239 ASP CB . 27130 1 341 . 1 1 85 85 ASP N N 15 124.7370 0.0000 . 1 . . . . 239 ASP N . 27130 1 342 . 1 1 86 86 LYS H H 1 8.5030 0.0000 . 1 . . . . 240 LYS H . 27130 1 343 . 1 1 86 86 LYS CA C 13 59.1370 0.0000 . 1 . . . . 240 LYS CA . 27130 1 344 . 1 1 86 86 LYS CB C 13 32.1720 0.0000 . 1 . . . . 240 LYS CB . 27130 1 345 . 1 1 86 86 LYS N N 15 123.4010 0.0000 . 1 . . . . 240 LYS N . 27130 1 346 . 1 1 87 87 SER H H 1 8.4870 0.0000 . 1 . . . . 241 SER H . 27130 1 347 . 1 1 87 87 SER CA C 13 59.7470 0.0000 . 1 . . . . 241 SER CA . 27130 1 348 . 1 1 87 87 SER CB C 13 64.1440 0.0000 . 1 . . . . 241 SER CB . 27130 1 349 . 1 1 87 87 SER N N 15 113.1980 0.0000 . 1 . . . . 241 SER N . 27130 1 350 . 1 1 88 88 TYR H H 1 7.7210 0.0000 . 1 . . . . 242 TYR H . 27130 1 351 . 1 1 88 88 TYR CA C 13 53.9200 0.0000 . 1 . . . . 242 TYR CA . 27130 1 352 . 1 1 88 88 TYR CB C 13 34.1770 0.0000 . 1 . . . . 242 TYR CB . 27130 1 353 . 1 1 88 88 TYR N N 15 124.4790 0.0000 . 1 . . . . 242 TYR N . 27130 1 354 . 1 1 89 89 PRO CA C 13 62.8080 0.0000 . 1 . . . . 243 PRO CA . 27130 1 355 . 1 1 89 89 PRO CB C 13 32.4320 0.0000 . 1 . . . . 243 PRO CB . 27130 1 356 . 1 1 90 90 ALA H H 1 8.3640 0.0000 . 1 . . . . 244 ALA H . 27130 1 357 . 1 1 90 90 ALA CA C 13 52.9040 0.0000 . 1 . . . . 244 ALA CA . 27130 1 358 . 1 1 90 90 ALA CB C 13 19.5470 0.0000 . 1 . . . . 244 ALA CB . 27130 1 359 . 1 1 90 90 ALA N N 15 123.8950 0.0000 . 1 . . . . 244 ALA N . 27130 1 360 . 1 1 91 91 GLY H H 1 9.1140 0.0000 . 1 . . . . 245 GLY H . 27130 1 361 . 1 1 91 91 GLY CA C 13 43.8960 0.0000 . 1 . . . . 245 GLY CA . 27130 1 362 . 1 1 91 91 GLY N N 15 107.6070 0.0000 . 1 . . . . 245 GLY N . 27130 1 363 . 1 1 92 92 GLU H H 1 8.4200 0.0000 . 1 . . . . 246 GLU H . 27130 1 364 . 1 1 92 92 GLU CA C 13 57.4150 0.0000 . 1 . . . . 246 GLU CA . 27130 1 365 . 1 1 92 92 GLU CB C 13 31.4610 0.0000 . 1 . . . . 246 GLU CB . 27130 1 366 . 1 1 92 92 GLU N N 15 119.8960 0.0000 . 1 . . . . 246 GLU N . 27130 1 367 . 1 1 93 93 TYR H H 1 9.3710 0.0000 . 1 . . . . 247 TYR H . 27130 1 368 . 1 1 93 93 TYR CA C 13 57.0330 0.0000 . 1 . . . . 247 TYR CA . 27130 1 369 . 1 1 93 93 TYR CB C 13 40.6250 0.0000 . 1 . . . . 247 TYR CB . 27130 1 370 . 1 1 93 93 TYR N N 15 124.8520 0.0000 . 1 . . . . 247 TYR N . 27130 1 371 . 1 1 94 94 THR H H 1 8.9550 0.0000 . 1 . . . . 248 THR H . 27130 1 372 . 1 1 94 94 THR CA C 13 62.2800 0.0000 . 1 . . . . 248 THR CA . 27130 1 373 . 1 1 94 94 THR CB C 13 69.8270 0.0000 . 1 . . . . 248 THR CB . 27130 1 374 . 1 1 94 94 THR N N 15 118.5240 0.0000 . 1 . . . . 248 THR N . 27130 1 375 . 1 1 95 95 ILE H H 1 9.5900 0.0000 . 1 . . . . 249 ILE H . 27130 1 376 . 1 1 95 95 ILE CA C 13 60.0780 0.0000 . 1 . . . . 249 ILE CA . 27130 1 377 . 1 1 95 95 ILE CB C 13 38.8710 0.0000 . 1 . . . . 249 ILE CB . 27130 1 378 . 1 1 95 95 ILE N N 15 130.0800 0.0000 . 1 . . . . 249 ILE N . 27130 1 379 . 1 1 96 96 ASN H H 1 8.8970 0.0000 . 1 . . . . 250 ASN H . 27130 1 380 . 1 1 96 96 ASN HD21 H 1 6.9110 0.0000 . 2 . . . . 250 ASN HD21 . 27130 1 381 . 1 1 96 96 ASN HD22 H 1 6.7442 0.0000 . 2 . . . . 250 ASN HD22 . 27130 1 382 . 1 1 96 96 ASN CA C 13 52.1890 0.0000 . 1 . . . . 250 ASN CA . 27130 1 383 . 1 1 96 96 ASN CB C 13 41.4600 0.0000 . 1 . . . . 250 ASN CB . 27130 1 384 . 1 1 96 96 ASN N N 15 125.7390 0.0000 . 1 . . . . 250 ASN N . 27130 1 385 . 1 1 96 96 ASN ND2 N 15 111.0982 0.0000 . 1 . . . . 250 ASN ND2 . 27130 1 386 . 1 1 97 97 ALA H H 1 8.8540 0.0000 . 1 . . . . 251 ALA H . 27130 1 387 . 1 1 97 97 ALA CA C 13 50.2450 0.0000 . 1 . . . . 251 ALA CA . 27130 1 388 . 1 1 97 97 ALA CB C 13 21.9730 0.0000 . 1 . . . . 251 ALA CB . 27130 1 389 . 1 1 97 97 ALA N N 15 127.1430 0.0000 . 1 . . . . 251 ALA N . 27130 1 390 . 1 1 98 98 GLN H H 1 8.0930 0.0000 . 1 . . . . 252 GLN H . 27130 1 391 . 1 1 98 98 GLN HE21 H 1 6.8414 0.0000 . 2 . . . . 252 GLN HE21 . 27130 1 392 . 1 1 98 98 GLN HE22 H 1 6.3283 0.0000 . 2 . . . . 252 GLN HE22 . 27130 1 393 . 1 1 98 98 GLN CA C 13 54.1710 0.0000 . 1 . . . . 252 GLN CA . 27130 1 394 . 1 1 98 98 GLN CB C 13 32.0460 0.0000 . 1 . . . . 252 GLN CB . 27130 1 395 . 1 1 98 98 GLN N N 15 119.2130 0.0000 . 1 . . . . 252 GLN N . 27130 1 396 . 1 1 98 98 GLN NE2 N 15 110.2427 0.0000 . 1 . . . . 252 GLN NE2 . 27130 1 397 . 1 1 99 99 VAL H H 1 8.3430 0.0000 . 1 . . . . 253 VAL H . 27130 1 398 . 1 1 99 99 VAL CA C 13 60.6890 0.0000 . 1 . . . . 253 VAL CA . 27130 1 399 . 1 1 99 99 VAL CB C 13 34.5220 0.0000 . 1 . . . . 253 VAL CB . 27130 1 400 . 1 1 99 99 VAL N N 15 119.6610 0.0000 . 1 . . . . 253 VAL N . 27130 1 401 . 1 1 100 100 VAL H H 1 8.9890 0.0000 . 1 . . . . 254 VAL H . 27130 1 402 . 1 1 100 100 VAL CA C 13 59.8130 0.0000 . 1 . . . . 254 VAL CA . 27130 1 403 . 1 1 100 100 VAL CB C 13 36.0080 0.0000 . 1 . . . . 254 VAL CB . 27130 1 404 . 1 1 100 100 VAL N N 15 125.4600 0.0000 . 1 . . . . 254 VAL N . 27130 1 405 . 1 1 101 101 ASP H H 1 8.8790 0.0000 . 1 . . . . 255 ASP H . 27130 1 406 . 1 1 101 101 ASP CA C 13 53.7500 0.0000 . 1 . . . . 255 ASP CA . 27130 1 407 . 1 1 101 101 ASP CB C 13 42.4040 0.0000 . 1 . . . . 255 ASP CB . 27130 1 408 . 1 1 101 101 ASP N N 15 126.4190 0.0000 . 1 . . . . 255 ASP N . 27130 1 409 . 1 1 102 102 ILE H H 1 8.2260 0.0000 . 1 . . . . 256 ILE H . 27130 1 410 . 1 1 102 102 ILE CA C 13 63.6780 0.0000 . 1 . . . . 256 ILE CA . 27130 1 411 . 1 1 102 102 ILE CB C 13 37.9490 0.0000 . 1 . . . . 256 ILE CB . 27130 1 412 . 1 1 102 102 ILE N N 15 124.2930 0.0000 . 1 . . . . 256 ILE N . 27130 1 413 . 1 1 103 103 VAL H H 1 8.6840 0.0000 . 1 . . . . 257 VAL H . 27130 1 414 . 1 1 103 103 VAL CA C 13 65.3300 0.0000 . 1 . . . . 257 VAL CA . 27130 1 415 . 1 1 103 103 VAL CB C 13 31.8670 0.0000 . 1 . . . . 257 VAL CB . 27130 1 416 . 1 1 103 103 VAL N N 15 121.0900 0.0000 . 1 . . . . 257 VAL N . 27130 1 417 . 1 1 104 104 SER H H 1 7.8130 0.0000 . 1 . . . . 258 SER H . 27130 1 418 . 1 1 104 104 SER CA C 13 58.7370 0.0000 . 1 . . . . 258 SER CA . 27130 1 419 . 1 1 104 104 SER CB C 13 65.2230 0.0000 . 1 . . . . 258 SER CB . 27130 1 420 . 1 1 104 104 SER N N 15 113.3470 0.0000 . 1 . . . . 258 SER N . 27130 1 421 . 1 1 105 105 GLY H H 1 8.6540 0.0000 . 1 . . . . 259 GLY H . 27130 1 422 . 1 1 105 105 GLY CA C 13 45.7880 0.0000 . 1 . . . . 259 GLY CA . 27130 1 423 . 1 1 105 105 GLY N N 15 112.9600 0.0000 . 1 . . . . 259 GLY N . 27130 1 424 . 1 1 106 106 GLU H H 1 7.9440 0.0000 . 1 . . . . 260 GLU H . 27130 1 425 . 1 1 106 106 GLU CA C 13 51.1070 0.0000 . 1 . . . . 260 GLU CA . 27130 1 426 . 1 1 106 106 GLU CB C 13 31.1970 0.0000 . 1 . . . . 260 GLU CB . 27130 1 427 . 1 1 106 106 GLU N N 15 121.3630 0.0000 . 1 . . . . 260 GLU N . 27130 1 428 . 1 1 107 107 ARG H H 1 8.4470 0.0000 . 1 . . . . 261 ARG H . 27130 1 429 . 1 1 107 107 ARG CA C 13 54.2700 0.0000 . 1 . . . . 261 ARG CA . 27130 1 430 . 1 1 107 107 ARG CB C 13 35.3350 0.0000 . 1 . . . . 261 ARG CB . 27130 1 431 . 1 1 107 107 ARG N N 15 118.6680 0.0000 . 1 . . . . 261 ARG N . 27130 1 432 . 1 1 108 108 VAL H H 1 8.7820 0.0000 . 1 . . . . 262 VAL H . 27130 1 433 . 1 1 108 108 VAL CA C 13 61.3070 0.0000 . 1 . . . . 262 VAL CA . 27130 1 434 . 1 1 108 108 VAL CB C 13 35.4580 0.0000 . 1 . . . . 262 VAL CB . 27130 1 435 . 1 1 108 108 VAL N N 15 121.1420 0.0000 . 1 . . . . 262 VAL N . 27130 1 436 . 1 1 109 109 GLU H H 1 8.3670 0.0000 . 1 . . . . 263 GLU H . 27130 1 437 . 1 1 109 109 GLU CA C 13 54.1410 0.0000 . 1 . . . . 263 GLU CA . 27130 1 438 . 1 1 109 109 GLU CB C 13 33.7820 0.0000 . 1 . . . . 263 GLU CB . 27130 1 439 . 1 1 109 109 GLU N N 15 123.1610 0.0000 . 1 . . . . 263 GLU N . 27130 1 440 . 1 1 110 110 GLN H H 1 8.7260 0.0000 . 1 . . . . 264 GLN H . 27130 1 441 . 1 1 110 110 GLN HE21 H 1 7.3540 0.0000 . 2 . . . . 264 GLN HE21 . 27130 1 442 . 1 1 110 110 GLN HE22 H 1 6.9351 0.0000 . 2 . . . . 264 GLN HE22 . 27130 1 443 . 1 1 110 110 GLN CA C 13 55.0220 0.0000 . 1 . . . . 264 GLN CA . 27130 1 444 . 1 1 110 110 GLN CB C 13 33.6740 0.0000 . 1 . . . . 264 GLN CB . 27130 1 445 . 1 1 110 110 GLN N N 15 122.2520 0.0000 . 1 . . . . 264 GLN N . 27130 1 446 . 1 1 110 110 GLN NE2 N 15 111.4445 0.0000 . 1 . . . . 264 GLN NE2 . 27130 1 447 . 1 1 111 111 SER H H 1 8.5700 0.0000 . 1 . . . . 265 SER H . 27130 1 448 . 1 1 111 111 SER CA C 13 57.0260 0.0000 . 1 . . . . 265 SER CA . 27130 1 449 . 1 1 111 111 SER CB C 13 65.7010 0.0000 . 1 . . . . 265 SER CB . 27130 1 450 . 1 1 111 111 SER N N 15 119.6280 0.0000 . 1 . . . . 265 SER N . 27130 1 451 . 1 1 112 112 MET H H 1 9.1560 0.0000 . 1 . . . . 266 MET H . 27130 1 452 . 1 1 112 112 MET CA C 13 55.0620 0.0000 . 1 . . . . 266 MET CA . 27130 1 453 . 1 1 112 112 MET CB C 13 36.0580 0.0000 . 1 . . . . 266 MET CB . 27130 1 454 . 1 1 112 112 MET N N 15 123.5360 0.0000 . 1 . . . . 266 MET N . 27130 1 455 . 1 1 113 113 THR H H 1 8.5850 0.0000 . 1 . . . . 267 THR H . 27130 1 456 . 1 1 113 113 THR CA C 13 61.8120 0.0000 . 1 . . . . 267 THR CA . 27130 1 457 . 1 1 113 113 THR CB C 13 71.4790 0.0000 . 1 . . . . 267 THR CB . 27130 1 458 . 1 1 113 113 THR N N 15 116.5030 0.0000 . 1 . . . . 267 THR N . 27130 1 459 . 1 1 114 114 VAL H H 1 8.9970 0.0000 . 1 . . . . 268 VAL H . 27130 1 460 . 1 1 114 114 VAL CA C 13 61.1560 0.0000 . 1 . . . . 268 VAL CA . 27130 1 461 . 1 1 114 114 VAL CB C 13 36.6540 0.0000 . 1 . . . . 268 VAL CB . 27130 1 462 . 1 1 114 114 VAL N N 15 124.2870 0.0000 . 1 . . . . 268 VAL N . 27130 1 463 . 1 1 115 115 VAL H H 1 8.0740 0.0000 . 1 . . . . 269 VAL H . 27130 1 464 . 1 1 115 115 VAL CA C 13 60.9990 0.0000 . 1 . . . . 269 VAL CA . 27130 1 465 . 1 1 115 115 VAL CB C 13 34.5010 0.0000 . 1 . . . . 269 VAL CB . 27130 1 466 . 1 1 115 115 VAL N N 15 125.1450 0.0000 . 1 . . . . 269 VAL N . 27130 1 467 . 1 1 116 116 LYS H H 1 9.3040 0.0000 . 1 . . . . 270 LYS H . 27130 1 468 . 1 1 116 116 LYS CA C 13 55.3410 0.0000 . 1 . . . . 270 LYS CA . 27130 1 469 . 1 1 116 116 LYS CB C 13 35.5300 0.0000 . 1 . . . . 270 LYS CB . 27130 1 470 . 1 1 116 116 LYS N N 15 128.5960 0.0000 . 1 . . . . 270 LYS N . 27130 1 471 . 1 1 117 117 LYS H H 1 8.4080 0.0000 . 1 . . . . 271 LYS H . 27130 1 472 . 1 1 117 117 LYS CA C 13 58.3770 0.0000 . 1 . . . . 271 LYS CA . 27130 1 473 . 1 1 117 117 LYS CB C 13 33.7860 0.0000 . 1 . . . . 271 LYS CB . 27130 1 474 . 1 1 117 117 LYS N N 15 104.0400 0.0000 . 1 . . . . 271 LYS N . 27130 1 stop_ save_