data_53374 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53374 _Entry.Title ; Backbone resonance assignment of the C-terminal domain of the P protein of the CVS-11 strain of rabies virus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-09-24 _Entry.Accession_date 2025-09-24 _Entry.Last_release_date 2025-09-25 _Entry.Original_release_date 2025-09-25 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Paul Gooley . R. . 0000-0002-0323-449X 53374 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53374 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 218 53374 '15N chemical shifts' 109 53374 '1H chemical shifts' 109 53374 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 . . 2025-10-02 . original BMRB . 53374 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27498 'C-terminal domain of P protein from Nishigahara strain of rabies virus' 53374 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53374 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Conformational dynamics, RNA binding, and phase separation regulate the multifunctionality of rabies virus P protein ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature Communications' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Paul Gooley . R. . . 53374 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Liquid-liquid phase separation, RNA binding' 53374 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53374 _Assembly.ID 1 _Assembly.Name CVS_RABV_P-protein_CTD _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 12867.66 _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 CTD 1 $entity_1 . . yes native no no . . . 53374 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 1vyi . . X-ray 1.5 'same domain' . 53374 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53374 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHMWSATNEEDDLSVEAEIA HQIAESFSKKYKFPSRSSGI FLYNFEQLKMNLDDIVKEAK NVPGVTRLAHDGSKIPLRCV LGWVALANSKKFQLLVEADK LSKIMQDDLNRYTSS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 1,183 _Entity.Polymer_author_seq_details 'The first 3 residues GHM represent a non-native part introduced from cloning' _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 115 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'C-terminal domain encompassing residues 186 to 297 of the phosphoprotein of the CVS-11 strain of rabies virus' _Entity.Mutation 'C115S (C297S in author sequence)' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12867.66 _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 1 yes UNP P22363 . Phos_RABVC . . . . . . . . . . . . . . 53374 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Innate immune system evasion; Viral replication and transcription; nucleo-cytoplasmic trafficking' 53374 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 1 183 GLY . 53374 1 2 184 HIS . 53374 1 3 185 MET . 53374 1 4 186 TRP . 53374 1 5 187 SER . 53374 1 6 188 ALA . 53374 1 7 189 THR . 53374 1 8 190 ASN . 53374 1 9 191 GLU . 53374 1 10 192 GLU . 53374 1 11 193 ASP . 53374 1 12 194 ASP . 53374 1 13 195 LEU . 53374 1 14 196 SER . 53374 1 15 197 VAL . 53374 1 16 198 GLU . 53374 1 17 199 ALA . 53374 1 18 200 GLU . 53374 1 19 201 ILE . 53374 1 20 202 ALA . 53374 1 21 203 HIS . 53374 1 22 204 GLN . 53374 1 23 205 ILE . 53374 1 24 206 ALA . 53374 1 25 207 GLU . 53374 1 26 208 SER . 53374 1 27 209 PHE . 53374 1 28 210 SER . 53374 1 29 211 LYS . 53374 1 30 212 LYS . 53374 1 31 213 TYR . 53374 1 32 214 LYS . 53374 1 33 215 PHE . 53374 1 34 216 PRO . 53374 1 35 217 SER . 53374 1 36 218 ARG . 53374 1 37 219 SER . 53374 1 38 220 SER . 53374 1 39 221 GLY . 53374 1 40 222 ILE . 53374 1 41 223 PHE . 53374 1 42 224 LEU . 53374 1 43 225 TYR . 53374 1 44 226 ASN . 53374 1 45 227 PHE . 53374 1 46 228 GLU . 53374 1 47 229 GLN . 53374 1 48 230 LEU . 53374 1 49 231 LYS . 53374 1 50 232 MET . 53374 1 51 233 ASN . 53374 1 52 234 LEU . 53374 1 53 235 ASP . 53374 1 54 236 ASP . 53374 1 55 237 ILE . 53374 1 56 238 VAL . 53374 1 57 239 LYS . 53374 1 58 240 GLU . 53374 1 59 241 ALA . 53374 1 60 242 LYS . 53374 1 61 243 ASN . 53374 1 62 244 VAL . 53374 1 63 245 PRO . 53374 1 64 246 GLY . 53374 1 65 247 VAL . 53374 1 66 248 THR . 53374 1 67 249 ARG . 53374 1 68 250 LEU . 53374 1 69 251 ALA . 53374 1 70 252 HIS . 53374 1 71 253 ASP . 53374 1 72 254 GLY . 53374 1 73 255 SER . 53374 1 74 256 LYS . 53374 1 75 257 ILE . 53374 1 76 258 PRO . 53374 1 77 259 LEU . 53374 1 78 260 ARG . 53374 1 79 261 CYS . 53374 1 80 262 VAL . 53374 1 81 263 LEU . 53374 1 82 264 GLY . 53374 1 83 265 TRP . 53374 1 84 266 VAL . 53374 1 85 267 ALA . 53374 1 86 268 LEU . 53374 1 87 269 ALA . 53374 1 88 270 ASN . 53374 1 89 271 SER . 53374 1 90 272 LYS . 53374 1 91 273 LYS . 53374 1 92 274 PHE . 53374 1 93 275 GLN . 53374 1 94 276 LEU . 53374 1 95 277 LEU . 53374 1 96 278 VAL . 53374 1 97 279 GLU . 53374 1 98 280 ALA . 53374 1 99 281 ASP . 53374 1 100 282 LYS . 53374 1 101 283 LEU . 53374 1 102 284 SER . 53374 1 103 285 LYS . 53374 1 104 286 ILE . 53374 1 105 287 MET . 53374 1 106 288 GLN . 53374 1 107 289 ASP . 53374 1 108 290 ASP . 53374 1 109 291 LEU . 53374 1 110 292 ASN . 53374 1 111 293 ARG . 53374 1 112 294 TYR . 53374 1 113 295 THR . 53374 1 114 296 SER . 53374 1 115 297 SER . 53374 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 53374 1 . HIS 2 2 53374 1 . MET 3 3 53374 1 . TRP 4 4 53374 1 . SER 5 5 53374 1 . ALA 6 6 53374 1 . THR 7 7 53374 1 . ASN 8 8 53374 1 . GLU 9 9 53374 1 . GLU 10 10 53374 1 . ASP 11 11 53374 1 . ASP 12 12 53374 1 . LEU 13 13 53374 1 . SER 14 14 53374 1 . VAL 15 15 53374 1 . GLU 16 16 53374 1 . ALA 17 17 53374 1 . GLU 18 18 53374 1 . ILE 19 19 53374 1 . ALA 20 20 53374 1 . HIS 21 21 53374 1 . GLN 22 22 53374 1 . ILE 23 23 53374 1 . ALA 24 24 53374 1 . GLU 25 25 53374 1 . SER 26 26 53374 1 . PHE 27 27 53374 1 . SER 28 28 53374 1 . LYS 29 29 53374 1 . LYS 30 30 53374 1 . TYR 31 31 53374 1 . LYS 32 32 53374 1 . PHE 33 33 53374 1 . PRO 34 34 53374 1 . SER 35 35 53374 1 . ARG 36 36 53374 1 . SER 37 37 53374 1 . SER 38 38 53374 1 . GLY 39 39 53374 1 . ILE 40 40 53374 1 . PHE 41 41 53374 1 . LEU 42 42 53374 1 . TYR 43 43 53374 1 . ASN 44 44 53374 1 . PHE 45 45 53374 1 . GLU 46 46 53374 1 . GLN 47 47 53374 1 . LEU 48 48 53374 1 . LYS 49 49 53374 1 . MET 50 50 53374 1 . ASN 51 51 53374 1 . LEU 52 52 53374 1 . ASP 53 53 53374 1 . ASP 54 54 53374 1 . ILE 55 55 53374 1 . VAL 56 56 53374 1 . LYS 57 57 53374 1 . GLU 58 58 53374 1 . ALA 59 59 53374 1 . LYS 60 60 53374 1 . ASN 61 61 53374 1 . VAL 62 62 53374 1 . PRO 63 63 53374 1 . GLY 64 64 53374 1 . VAL 65 65 53374 1 . THR 66 66 53374 1 . ARG 67 67 53374 1 . LEU 68 68 53374 1 . ALA 69 69 53374 1 . HIS 70 70 53374 1 . ASP 71 71 53374 1 . GLY 72 72 53374 1 . SER 73 73 53374 1 . LYS 74 74 53374 1 . ILE 75 75 53374 1 . PRO 76 76 53374 1 . LEU 77 77 53374 1 . ARG 78 78 53374 1 . CYS 79 79 53374 1 . VAL 80 80 53374 1 . LEU 81 81 53374 1 . GLY 82 82 53374 1 . TRP 83 83 53374 1 . VAL 84 84 53374 1 . ALA 85 85 53374 1 . LEU 86 86 53374 1 . ALA 87 87 53374 1 . ASN 88 88 53374 1 . SER 89 89 53374 1 . LYS 90 90 53374 1 . LYS 91 91 53374 1 . PHE 92 92 53374 1 . GLN 93 93 53374 1 . LEU 94 94 53374 1 . LEU 95 95 53374 1 . VAL 96 96 53374 1 . GLU 97 97 53374 1 . ALA 98 98 53374 1 . ASP 99 99 53374 1 . LYS 100 100 53374 1 . LEU 101 101 53374 1 . SER 102 102 53374 1 . LYS 103 103 53374 1 . ILE 104 104 53374 1 . MET 105 105 53374 1 . GLN 106 106 53374 1 . ASP 107 107 53374 1 . ASP 108 108 53374 1 . LEU 109 109 53374 1 . ASN 110 110 53374 1 . ARG 111 111 53374 1 . TYR 112 112 53374 1 . THR 113 113 53374 1 . SER 114 114 53374 1 . SER 115 115 53374 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 53374 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 11292 organism . 'lyssavirus, rabies lyssavirus' 'Lyssavirus rabies' . . Viruses . Lyssavirus rabies CVS-11 . . . . . . . . . . . . 53374 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 53374 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . plasmid . . pET15b . . . 53374 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53374 _Sample.ID 1 _Sample.Name '13C,15N labelled CTD' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CVS_RABV_P-protein_CTD '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 500 . . uM . . . . 53374 1 2 'Na2 PO4' 'natural abundance' . . . . . . 50 . . mM . . . . 53374 1 3 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 53374 1 4 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 53374 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 53374 _Sample_condition_list.ID 1 _Sample_condition_list.Name '13C,15N labelled CTD' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.2 . M 53374 1 pH 6.8 . pH 53374 1 pressure 1 . atm 53374 1 temperature 293 . K 53374 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53374 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2.7 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53374 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53374 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version 10.9 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53374 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 53374 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version 1.47 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53374 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 53374 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name Bio700 _NMR_spectrometer.Details 'equipped with TCI cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 53374 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53374 1 2 '3D HNCACB' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53374 1 3 '3D HN(CO)CACB' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53374 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '2D 1H-15N HSQC' 15n-hsqc.zip . 'NMR experiment directory' . . 53374 1 2 '3D HNCACB' hncacb.zip . 'NMR experiment directory' . . 53374 1 3 '3D HN(CO)CACB' hncocacb.zip . 'NMR experiment directory' . . 53374 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 53374 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 na indirect 0.251449530 . . . . . 53374 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 53374 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 53374 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53374 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name CTD_P-protein_CVS _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 53374 1 2 '3D HNCACB' . . . 53374 1 3 '3D HN(CO)CACB' . . . 53374 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 53374 1 3 $software_3 . . 53374 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 4 4 TRP H H 1 8.033 0.00 . . . . . . . 186 TRP H . 53374 1 2 . 1 . 1 4 4 TRP HE1 H 1 10.115 0.00 . . . . . . . 186 TRP HE1 . 53374 1 3 . 1 . 1 4 4 TRP CA C 13 58.185 0.00 . . . . . . . 186 TRP CA . 53374 1 4 . 1 . 1 4 4 TRP CB C 13 29.864 0.00 . . . . . . . 186 TRP CB . 53374 1 5 . 1 . 1 4 4 TRP N N 15 122.048 0.00 . . . . . . . 186 TRP N . 53374 1 6 . 1 . 1 4 4 TRP NE1 N 15 129.656 0.00 . . . . . . . 186 TRP NE1 . 53374 1 7 . 1 . 1 5 5 SER H H 1 7.870 0.00 . . . . . . . 187 SER H . 53374 1 8 . 1 . 1 5 5 SER CA C 13 57.654 0.08 . . . . . . . 187 SER CA . 53374 1 9 . 1 . 1 5 5 SER CB C 13 64.340 0.02 . . . . . . . 187 SER CB . 53374 1 10 . 1 . 1 5 5 SER N N 15 118.912 0.01 . . . . . . . 187 SER N . 53374 1 11 . 1 . 1 6 6 ALA H H 1 8.184 0.00 . . . . . . . 188 ALA H . 53374 1 12 . 1 . 1 6 6 ALA CA C 13 52.788 0.01 . . . . . . . 188 ALA CA . 53374 1 13 . 1 . 1 6 6 ALA CB C 13 19.216 0.00 . . . . . . . 188 ALA CB . 53374 1 14 . 1 . 1 6 6 ALA N N 15 125.792 0.04 . . . . . . . 188 ALA N . 53374 1 15 . 1 . 1 7 7 THR H H 1 8.164 0.00 . . . . . . . 189 THR H . 53374 1 16 . 1 . 1 7 7 THR CA C 13 61.766 0.05 . . . . . . . 189 THR CA . 53374 1 17 . 1 . 1 7 7 THR CB C 13 69.784 0.01 . . . . . . . 189 THR CB . 53374 1 18 . 1 . 1 7 7 THR N N 15 112.164 0.03 . . . . . . . 189 THR N . 53374 1 19 . 1 . 1 8 8 ASN H H 1 8.277 0.00 . . . . . . . 190 ASN H . 53374 1 20 . 1 . 1 8 8 ASN CA C 13 53.406 0.00 . . . . . . . 190 ASN CA . 53374 1 21 . 1 . 1 8 8 ASN CB C 13 39.023 0.02 . . . . . . . 190 ASN CB . 53374 1 22 . 1 . 1 8 8 ASN N N 15 120.101 0.02 . . . . . . . 190 ASN N . 53374 1 23 . 1 . 1 9 9 GLU H H 1 8.522 0.00 . . . . . . . 191 GLU H . 53374 1 24 . 1 . 1 9 9 GLU CA C 13 57.776 0.03 . . . . . . . 191 GLU CA . 53374 1 25 . 1 . 1 9 9 GLU CB C 13 30.069 0.00 . . . . . . . 191 GLU CB . 53374 1 26 . 1 . 1 9 9 GLU N N 15 121.349 0.03 . . . . . . . 191 GLU N . 53374 1 27 . 1 . 1 10 10 GLU H H 1 8.421 0.00 . . . . . . . 192 GLU H . 53374 1 28 . 1 . 1 10 10 GLU CA C 13 57.764 0.03 . . . . . . . 192 GLU CA . 53374 1 29 . 1 . 1 10 10 GLU CB C 13 29.895 0.04 . . . . . . . 192 GLU CB . 53374 1 30 . 1 . 1 10 10 GLU N N 15 120.498 0.02 . . . . . . . 192 GLU N . 53374 1 31 . 1 . 1 11 11 ASP H H 1 8.274 0.00 . . . . . . . 193 ASP H . 53374 1 32 . 1 . 1 11 11 ASP CA C 13 55.145 0.00 . . . . . . . 193 ASP CA . 53374 1 33 . 1 . 1 11 11 ASP CB C 13 41.266 0.01 . . . . . . . 193 ASP CB . 53374 1 34 . 1 . 1 11 11 ASP N N 15 120.868 0.02 . . . . . . . 193 ASP N . 53374 1 35 . 1 . 1 12 12 ASP H H 1 8.118 0.00 . . . . . . . 194 ASP H . 53374 1 36 . 1 . 1 12 12 ASP CA C 13 55.688 0.09 . . . . . . . 194 ASP CA . 53374 1 37 . 1 . 1 12 12 ASP CB C 13 41.304 0.02 . . . . . . . 194 ASP CB . 53374 1 38 . 1 . 1 12 12 ASP N N 15 120.813 0.01 . . . . . . . 194 ASP N . 53374 1 39 . 1 . 1 13 13 LEU H H 1 8.304 0.00 . . . . . . . 195 LEU H . 53374 1 40 . 1 . 1 13 13 LEU CA C 13 57.341 0.03 . . . . . . . 195 LEU CA . 53374 1 41 . 1 . 1 13 13 LEU CB C 13 41.539 0.09 . . . . . . . 195 LEU CB . 53374 1 42 . 1 . 1 13 13 LEU N N 15 121.735 0.03 . . . . . . . 195 LEU N . 53374 1 43 . 1 . 1 14 14 SER H H 1 8.302 0.00 . . . . . . . 196 SER H . 53374 1 44 . 1 . 1 14 14 SER CA C 13 61.192 0.00 . . . . . . . 196 SER CA . 53374 1 45 . 1 . 1 14 14 SER CB C 13 62.741 0.00 . . . . . . . 196 SER CB . 53374 1 46 . 1 . 1 14 14 SER N N 15 116.511 0.02 . . . . . . . 196 SER N . 53374 1 47 . 1 . 1 15 15 VAL H H 1 7.997 0.00 . . . . . . . 197 VAL H . 53374 1 48 . 1 . 1 15 15 VAL CA C 13 66.204 0.05 . . . . . . . 197 VAL CA . 53374 1 49 . 1 . 1 15 15 VAL CB C 13 31.837 0.03 . . . . . . . 197 VAL CB . 53374 1 50 . 1 . 1 15 15 VAL N N 15 123.631 0.03 . . . . . . . 197 VAL N . 53374 1 51 . 1 . 1 16 16 GLU H H 1 8.226 0.00 . . . . . . . 198 GLU H . 53374 1 52 . 1 . 1 16 16 GLU CA C 13 60.970 0.02 . . . . . . . 198 GLU CA . 53374 1 53 . 1 . 1 16 16 GLU CB C 13 28.843 0.00 . . . . . . . 198 GLU CB . 53374 1 54 . 1 . 1 16 16 GLU N N 15 119.214 0.03 . . . . . . . 198 GLU N . 53374 1 55 . 1 . 1 17 17 ALA H H 1 7.997 0.00 . . . . . . . 199 ALA H . 53374 1 56 . 1 . 1 17 17 ALA CA C 13 54.840 0.01 . . . . . . . 199 ALA CA . 53374 1 57 . 1 . 1 17 17 ALA CB C 13 17.974 0.03 . . . . . . . 199 ALA CB . 53374 1 58 . 1 . 1 17 17 ALA N N 15 120.222 0.04 . . . . . . . 199 ALA N . 53374 1 59 . 1 . 1 18 18 GLU H H 1 7.720 0.00 . . . . . . . 200 GLU H . 53374 1 60 . 1 . 1 18 18 GLU CA C 13 58.666 0.05 . . . . . . . 200 GLU CA . 53374 1 61 . 1 . 1 18 18 GLU CB C 13 29.506 0.02 . . . . . . . 200 GLU CB . 53374 1 62 . 1 . 1 18 18 GLU N N 15 120.339 0.03 . . . . . . . 200 GLU N . 53374 1 63 . 1 . 1 19 19 ILE H H 1 8.087 0.00 . . . . . . . 201 ILE H . 53374 1 64 . 1 . 1 19 19 ILE CA C 13 66.448 0.05 . . . . . . . 201 ILE CA . 53374 1 65 . 1 . 1 19 19 ILE CB C 13 38.073 0.01 . . . . . . . 201 ILE CB . 53374 1 66 . 1 . 1 19 19 ILE N N 15 118.918 0.02 . . . . . . . 201 ILE N . 53374 1 67 . 1 . 1 20 20 ALA H H 1 8.553 0.00 . . . . . . . 202 ALA H . 53374 1 68 . 1 . 1 20 20 ALA CA C 13 55.828 0.04 . . . . . . . 202 ALA CA . 53374 1 69 . 1 . 1 20 20 ALA CB C 13 18.270 0.04 . . . . . . . 202 ALA CB . 53374 1 70 . 1 . 1 20 20 ALA N N 15 119.715 0.16 . . . . . . . 202 ALA N . 53374 1 71 . 1 . 1 21 21 HIS H H 1 8.194 0.00 . . . . . . . 203 HIS H . 53374 1 72 . 1 . 1 21 21 HIS CA C 13 58.829 0.07 . . . . . . . 203 HIS CA . 53374 1 73 . 1 . 1 21 21 HIS CB C 13 28.809 0.02 . . . . . . . 203 HIS CB . 53374 1 74 . 1 . 1 21 21 HIS N N 15 115.860 0.03 . . . . . . . 203 HIS N . 53374 1 75 . 1 . 1 22 22 GLN H H 1 7.995 0.00 . . . . . . . 204 GLN H . 53374 1 76 . 1 . 1 22 22 GLN CA C 13 60.442 0.03 . . . . . . . 204 GLN CA . 53374 1 77 . 1 . 1 22 22 GLN CB C 13 28.474 0.05 . . . . . . . 204 GLN CB . 53374 1 78 . 1 . 1 22 22 GLN N N 15 117.320 0.03 . . . . . . . 204 GLN N . 53374 1 79 . 1 . 1 23 23 ILE H H 1 8.254 0.00 . . . . . . . 205 ILE H . 53374 1 80 . 1 . 1 23 23 ILE CA C 13 66.026 0.03 . . . . . . . 205 ILE CA . 53374 1 81 . 1 . 1 23 23 ILE CB C 13 37.796 0.14 . . . . . . . 205 ILE CB . 53374 1 82 . 1 . 1 23 23 ILE N N 15 119.411 0.03 . . . . . . . 205 ILE N . 53374 1 83 . 1 . 1 24 24 ALA H H 1 8.721 0.00 . . . . . . . 206 ALA H . 53374 1 84 . 1 . 1 24 24 ALA CA C 13 55.883 0.00 . . . . . . . 206 ALA CA . 53374 1 85 . 1 . 1 24 24 ALA CB C 13 18.109 0.03 . . . . . . . 206 ALA CB . 53374 1 86 . 1 . 1 24 24 ALA N N 15 120.956 0.01 . . . . . . . 206 ALA N . 53374 1 87 . 1 . 1 25 25 GLU H H 1 7.869 0.00 . . . . . . . 207 GLU H . 53374 1 88 . 1 . 1 25 25 GLU CA C 13 58.659 0.00 . . . . . . . 207 GLU CA . 53374 1 89 . 1 . 1 25 25 GLU CB C 13 29.879 0.03 . . . . . . . 207 GLU CB . 53374 1 90 . 1 . 1 25 25 GLU N N 15 116.245 0.01 . . . . . . . 207 GLU N . 53374 1 91 . 1 . 1 26 26 SER H H 1 7.332 0.00 . . . . . . . 208 SER H . 53374 1 92 . 1 . 1 26 26 SER CA C 13 57.088 0.00 . . . . . . . 208 SER CA . 53374 1 93 . 1 . 1 26 26 SER CB C 13 64.737 0.02 . . . . . . . 208 SER CB . 53374 1 94 . 1 . 1 26 26 SER N N 15 113.727 0.02 . . . . . . . 208 SER N . 53374 1 95 . 1 . 1 27 27 PHE H H 1 7.381 0.00 . . . . . . . 209 PHE H . 53374 1 96 . 1 . 1 27 27 PHE CA C 13 63.012 0.01 . . . . . . . 209 PHE CA . 53374 1 97 . 1 . 1 27 27 PHE CB C 13 40.889 0.01 . . . . . . . 209 PHE CB . 53374 1 98 . 1 . 1 27 27 PHE N N 15 125.575 0.03 . . . . . . . 209 PHE N . 53374 1 99 . 1 . 1 28 28 SER H H 1 8.541 0.00 . . . . . . . 210 SER H . 53374 1 100 . 1 . 1 28 28 SER CA C 13 57.242 0.01 . . . . . . . 210 SER CA . 53374 1 101 . 1 . 1 28 28 SER CB C 13 64.249 0.01 . . . . . . . 210 SER CB . 53374 1 102 . 1 . 1 28 28 SER N N 15 106.117 0.02 . . . . . . . 210 SER N . 53374 1 103 . 1 . 1 29 29 LYS H H 1 7.387 0.00 . . . . . . . 211 LYS H . 53374 1 104 . 1 . 1 29 29 LYS CA C 13 57.148 0.03 . . . . . . . 211 LYS CA . 53374 1 105 . 1 . 1 29 29 LYS CB C 13 32.697 0.02 . . . . . . . 211 LYS CB . 53374 1 106 . 1 . 1 29 29 LYS N N 15 127.231 0.04 . . . . . . . 211 LYS N . 53374 1 107 . 1 . 1 30 30 LYS H H 1 8.492 0.00 . . . . . . . 212 LYS H . 53374 1 108 . 1 . 1 30 30 LYS CA C 13 56.541 0.11 . . . . . . . 212 LYS CA . 53374 1 109 . 1 . 1 30 30 LYS CB C 13 32.837 0.03 . . . . . . . 212 LYS CB . 53374 1 110 . 1 . 1 30 30 LYS N N 15 124.601 0.04 . . . . . . . 212 LYS N . 53374 1 111 . 1 . 1 31 31 TYR H H 1 8.802 0.00 . . . . . . . 213 TYR H . 53374 1 112 . 1 . 1 31 31 TYR CA C 13 57.568 0.05 . . . . . . . 213 TYR CA . 53374 1 113 . 1 . 1 31 31 TYR CB C 13 41.629 0.00 . . . . . . . 213 TYR CB . 53374 1 114 . 1 . 1 31 31 TYR N N 15 124.449 0.02 . . . . . . . 213 TYR N . 53374 1 115 . 1 . 1 32 32 LYS H H 1 8.216 0.00 . . . . . . . 214 LYS H . 53374 1 116 . 1 . 1 32 32 LYS CA C 13 56.236 0.00 . . . . . . . 214 LYS CA . 53374 1 117 . 1 . 1 32 32 LYS CB C 13 34.499 0.07 . . . . . . . 214 LYS CB . 53374 1 118 . 1 . 1 32 32 LYS N N 15 118.474 0.04 . . . . . . . 214 LYS N . 53374 1 119 . 1 . 1 33 33 PHE H H 1 8.636 0.00 . . . . . . . 215 PHE H . 53374 1 120 . 1 . 1 33 33 PHE CA C 13 55.419 0.00 . . . . . . . 215 PHE CA . 53374 1 121 . 1 . 1 33 33 PHE CB C 13 42.182 0.00 . . . . . . . 215 PHE CB . 53374 1 122 . 1 . 1 33 33 PHE N N 15 118.936 0.01 . . . . . . . 215 PHE N . 53374 1 123 . 1 . 1 34 34 PRO CA C 13 62.328 0.00 . . . . . . . 216 PRO CA . 53374 1 124 . 1 . 1 34 34 PRO CB C 13 31.901 0.00 . . . . . . . 216 PRO CB . 53374 1 125 . 1 . 1 35 35 SER H H 1 8.537 0.01 . . . . . . . 217 SER H . 53374 1 126 . 1 . 1 35 35 SER CA C 13 56.418 0.01 . . . . . . . 217 SER CA . 53374 1 127 . 1 . 1 35 35 SER CB C 13 65.197 0.01 . . . . . . . 217 SER CB . 53374 1 128 . 1 . 1 35 35 SER N N 15 119.435 0.03 . . . . . . . 217 SER N . 53374 1 129 . 1 . 1 36 36 ARG H H 1 8.443 0.00 . . . . . . . 218 ARG H . 53374 1 130 . 1 . 1 36 36 ARG CA C 13 58.476 0.00 . . . . . . . 218 ARG CA . 53374 1 131 . 1 . 1 36 36 ARG CB C 13 29.962 0.00 . . . . . . . 218 ARG CB . 53374 1 132 . 1 . 1 36 36 ARG N N 15 123.359 0.01 . . . . . . . 218 ARG N . 53374 1 133 . 1 . 1 37 37 SER H H 1 8.033 0.00 . . . . . . . 219 SER H . 53374 1 134 . 1 . 1 37 37 SER CB C 13 62.986 0.00 . . . . . . . 219 SER CB . 53374 1 135 . 1 . 1 37 37 SER N N 15 108.125 0.67 . . . . . . . 219 SER N . 53374 1 136 . 1 . 1 38 38 SER H H 1 7.833 0.00 . . . . . . . 220 SER H . 53374 1 137 . 1 . 1 38 38 SER CA C 13 59.224 0.66 . . . . . . . 220 SER CA . 53374 1 138 . 1 . 1 38 38 SER CB C 13 62.797 0.00 . . . . . . . 220 SER CB . 53374 1 139 . 1 . 1 38 38 SER N N 15 113.515 0.03 . . . . . . . 220 SER N . 53374 1 140 . 1 . 1 39 39 GLY H H 1 8.028 0.00 . . . . . . . 221 GLY H . 53374 1 141 . 1 . 1 39 39 GLY CA C 13 44.947 0.01 . . . . . . . 221 GLY CA . 53374 1 142 . 1 . 1 39 39 GLY N N 15 109.396 0.02 . . . . . . . 221 GLY N . 53374 1 143 . 1 . 1 40 40 ILE H H 1 8.555 0.00 . . . . . . . 222 ILE H . 53374 1 144 . 1 . 1 40 40 ILE CA C 13 58.738 0.01 . . . . . . . 222 ILE CA . 53374 1 145 . 1 . 1 40 40 ILE CB C 13 42.802 0.01 . . . . . . . 222 ILE CB . 53374 1 146 . 1 . 1 40 40 ILE N N 15 120.295 0.02 . . . . . . . 222 ILE N . 53374 1 147 . 1 . 1 41 41 PHE H H 1 9.264 0.00 . . . . . . . 223 PHE H . 53374 1 148 . 1 . 1 41 41 PHE CA C 13 55.710 0.01 . . . . . . . 223 PHE CA . 53374 1 149 . 1 . 1 41 41 PHE CB C 13 41.730 0.01 . . . . . . . 223 PHE CB . 53374 1 150 . 1 . 1 41 41 PHE N N 15 121.914 0.01 . . . . . . . 223 PHE N . 53374 1 151 . 1 . 1 42 42 LEU H H 1 8.560 0.01 . . . . . . . 224 LEU H . 53374 1 152 . 1 . 1 42 42 LEU CA C 13 52.997 0.05 . . . . . . . 224 LEU CA . 53374 1 153 . 1 . 1 42 42 LEU CB C 13 44.234 0.14 . . . . . . . 224 LEU CB . 53374 1 154 . 1 . 1 42 42 LEU N N 15 120.314 0.07 . . . . . . . 224 LEU N . 53374 1 155 . 1 . 1 43 43 TYR H H 1 9.247 0.00 . . . . . . . 225 TYR H . 53374 1 156 . 1 . 1 43 43 TYR CA C 13 58.621 0.02 . . . . . . . 225 TYR CA . 53374 1 157 . 1 . 1 43 43 TYR CB C 13 45.673 0.01 . . . . . . . 225 TYR CB . 53374 1 158 . 1 . 1 43 43 TYR N N 15 124.398 0.01 . . . . . . . 225 TYR N . 53374 1 159 . 1 . 1 44 44 ASN H H 1 6.924 0.00 . . . . . . . 226 ASN H . 53374 1 160 . 1 . 1 44 44 ASN CA C 13 51.152 0.04 . . . . . . . 226 ASN CA . 53374 1 161 . 1 . 1 44 44 ASN CB C 13 41.811 0.01 . . . . . . . 226 ASN CB . 53374 1 162 . 1 . 1 44 44 ASN N N 15 118.568 0.02 . . . . . . . 226 ASN N . 53374 1 163 . 1 . 1 45 45 PHE H H 1 9.179 0.00 . . . . . . . 227 PHE H . 53374 1 164 . 1 . 1 45 45 PHE CA C 13 62.091 0.03 . . . . . . . 227 PHE CA . 53374 1 165 . 1 . 1 45 45 PHE CB C 13 38.945 0.01 . . . . . . . 227 PHE CB . 53374 1 166 . 1 . 1 45 45 PHE N N 15 115.749 0.02 . . . . . . . 227 PHE N . 53374 1 167 . 1 . 1 46 46 GLU H H 1 7.153 0.00 . . . . . . . 228 GLU H . 53374 1 168 . 1 . 1 46 46 GLU CA C 13 59.431 0.04 . . . . . . . 228 GLU CA . 53374 1 169 . 1 . 1 46 46 GLU CB C 13 29.267 0.00 . . . . . . . 228 GLU CB . 53374 1 170 . 1 . 1 46 46 GLU N N 15 120.696 0.01 . . . . . . . 228 GLU N . 53374 1 171 . 1 . 1 47 47 GLN H H 1 7.582 0.00 . . . . . . . 229 GLN H . 53374 1 172 . 1 . 1 47 47 GLN CA C 13 58.017 0.01 . . . . . . . 229 GLN CA . 53374 1 173 . 1 . 1 47 47 GLN CB C 13 29.646 0.00 . . . . . . . 229 GLN CB . 53374 1 174 . 1 . 1 47 47 GLN N N 15 116.167 0.01 . . . . . . . 229 GLN N . 53374 1 175 . 1 . 1 48 48 LEU H H 1 7.533 0.00 . . . . . . . 230 LEU H . 53374 1 176 . 1 . 1 48 48 LEU CA C 13 56.683 0.00 . . . . . . . 230 LEU CA . 53374 1 177 . 1 . 1 48 48 LEU CB C 13 41.949 0.00 . . . . . . . 230 LEU CB . 53374 1 178 . 1 . 1 48 48 LEU N N 15 117.695 0.01 . . . . . . . 230 LEU N . 53374 1 179 . 1 . 1 49 49 LYS CA C 13 56.776 0.00 . . . . . . . 231 LYS CA . 53374 1 180 . 1 . 1 49 49 LYS CB C 13 29.077 0.00 . . . . . . . 231 LYS CB . 53374 1 181 . 1 . 1 50 50 MET H H 1 8.251 0.00 . . . . . . . 232 MET H . 53374 1 182 . 1 . 1 50 50 MET CA C 13 54.236 0.03 . . . . . . . 232 MET CA . 53374 1 183 . 1 . 1 50 50 MET CB C 13 39.002 0.01 . . . . . . . 232 MET CB . 53374 1 184 . 1 . 1 50 50 MET N N 15 116.476 0.01 . . . . . . . 232 MET N . 53374 1 185 . 1 . 1 51 51 ASN H H 1 9.158 0.00 . . . . . . . 233 ASN H . 53374 1 186 . 1 . 1 51 51 ASN CA C 13 53.026 0.03 . . . . . . . 233 ASN CA . 53374 1 187 . 1 . 1 51 51 ASN CB C 13 38.709 0.04 . . . . . . . 233 ASN CB . 53374 1 188 . 1 . 1 51 51 ASN N N 15 120.869 0.01 . . . . . . . 233 ASN N . 53374 1 189 . 1 . 1 52 52 LEU H H 1 8.954 0.00 . . . . . . . 234 LEU H . 53374 1 190 . 1 . 1 52 52 LEU CA C 13 58.790 0.02 . . . . . . . 234 LEU CA . 53374 1 191 . 1 . 1 52 52 LEU CB C 13 41.859 0.01 . . . . . . . 234 LEU CB . 53374 1 192 . 1 . 1 52 52 LEU N N 15 125.036 0.03 . . . . . . . 234 LEU N . 53374 1 193 . 1 . 1 53 53 ASP H H 1 8.551 0.00 . . . . . . . 235 ASP H . 53374 1 194 . 1 . 1 53 53 ASP CA C 13 57.593 0.01 . . . . . . . 235 ASP CA . 53374 1 195 . 1 . 1 53 53 ASP CB C 13 39.995 0.00 . . . . . . . 235 ASP CB . 53374 1 196 . 1 . 1 53 53 ASP N N 15 115.829 0.02 . . . . . . . 235 ASP N . 53374 1 197 . 1 . 1 54 54 ASP H H 1 7.499 0.00 . . . . . . . 236 ASP H . 53374 1 198 . 1 . 1 54 54 ASP CA C 13 57.339 0.02 . . . . . . . 236 ASP CA . 53374 1 199 . 1 . 1 54 54 ASP CB C 13 40.526 0.00 . . . . . . . 236 ASP CB . 53374 1 200 . 1 . 1 54 54 ASP N N 15 119.099 0.01 . . . . . . . 236 ASP N . 53374 1 201 . 1 . 1 55 55 ILE H H 1 7.931 0.01 . . . . . . . 237 ILE H . 53374 1 202 . 1 . 1 55 55 ILE CA C 13 66.396 0.00 . . . . . . . 237 ILE CA . 53374 1 203 . 1 . 1 55 55 ILE CB C 13 38.170 0.00 . . . . . . . 237 ILE CB . 53374 1 204 . 1 . 1 55 55 ILE N N 15 121.558 0.06 . . . . . . . 237 ILE N . 53374 1 205 . 1 . 1 56 56 VAL H H 1 8.547 0.00 . . . . . . . 238 VAL H . 53374 1 206 . 1 . 1 56 56 VAL CA C 13 67.083 0.01 . . . . . . . 238 VAL CA . 53374 1 207 . 1 . 1 56 56 VAL CB C 13 31.270 0.05 . . . . . . . 238 VAL CB . 53374 1 208 . 1 . 1 56 56 VAL N N 15 120.149 0.06 . . . . . . . 238 VAL N . 53374 1 209 . 1 . 1 57 57 LYS H H 1 7.533 0.01 . . . . . . . 239 LYS H . 53374 1 210 . 1 . 1 57 57 LYS CA C 13 59.821 0.03 . . . . . . . 239 LYS CA . 53374 1 211 . 1 . 1 57 57 LYS CB C 13 32.442 0.01 . . . . . . . 239 LYS CB . 53374 1 212 . 1 . 1 57 57 LYS N N 15 116.185 0.04 . . . . . . . 239 LYS N . 53374 1 213 . 1 . 1 58 58 GLU H H 1 7.327 0.00 . . . . . . . 240 GLU H . 53374 1 214 . 1 . 1 58 58 GLU CA C 13 57.992 0.02 . . . . . . . 240 GLU CA . 53374 1 215 . 1 . 1 58 58 GLU CB C 13 30.200 0.01 . . . . . . . 240 GLU CB . 53374 1 216 . 1 . 1 58 58 GLU N N 15 117.110 0.01 . . . . . . . 240 GLU N . 53374 1 217 . 1 . 1 59 59 ALA H H 1 8.870 0.00 . . . . . . . 241 ALA H . 53374 1 218 . 1 . 1 59 59 ALA CA C 13 54.635 0.01 . . . . . . . 241 ALA CA . 53374 1 219 . 1 . 1 59 59 ALA CB C 13 19.345 0.00 . . . . . . . 241 ALA CB . 53374 1 220 . 1 . 1 59 59 ALA N N 15 122.735 0.03 . . . . . . . 241 ALA N . 53374 1 221 . 1 . 1 60 60 LYS H H 1 7.363 0.00 . . . . . . . 242 LYS H . 53374 1 222 . 1 . 1 60 60 LYS CA C 13 58.698 0.01 . . . . . . . 242 LYS CA . 53374 1 223 . 1 . 1 60 60 LYS CB C 13 32.244 0.01 . . . . . . . 242 LYS CB . 53374 1 224 . 1 . 1 60 60 LYS N N 15 111.471 0.03 . . . . . . . 242 LYS N . 53374 1 225 . 1 . 1 61 61 ASN H H 1 7.631 0.00 . . . . . . . 243 ASN H . 53374 1 226 . 1 . 1 61 61 ASN CA C 13 53.352 0.00 . . . . . . . 243 ASN CA . 53374 1 227 . 1 . 1 61 61 ASN CB C 13 38.876 0.01 . . . . . . . 243 ASN CB . 53374 1 228 . 1 . 1 61 61 ASN N N 15 115.273 0.01 . . . . . . . 243 ASN N . 53374 1 229 . 1 . 1 62 62 VAL H H 1 7.241 0.00 . . . . . . . 244 VAL H . 53374 1 230 . 1 . 1 62 62 VAL CA C 13 60.471 0.00 . . . . . . . 244 VAL CA . 53374 1 231 . 1 . 1 62 62 VAL CB C 13 30.613 0.00 . . . . . . . 244 VAL CB . 53374 1 232 . 1 . 1 62 62 VAL N N 15 124.254 0.00 . . . . . . . 244 VAL N . 53374 1 233 . 1 . 1 63 63 PRO CA C 13 64.579 0.00 . . . . . . . 245 PRO CA . 53374 1 234 . 1 . 1 63 63 PRO CB C 13 31.849 0.00 . . . . . . . 245 PRO CB . 53374 1 235 . 1 . 1 64 64 GLY H H 1 8.129 0.00 . . . . . . . 246 GLY H . 53374 1 236 . 1 . 1 64 64 GLY CA C 13 45.793 0.03 . . . . . . . 246 GLY CA . 53374 1 237 . 1 . 1 64 64 GLY N N 15 109.991 0.02 . . . . . . . 246 GLY N . 53374 1 238 . 1 . 1 65 65 VAL H H 1 7.508 0.00 . . . . . . . 247 VAL H . 53374 1 239 . 1 . 1 65 65 VAL CA C 13 68.209 0.04 . . . . . . . 247 VAL CA . 53374 1 240 . 1 . 1 65 65 VAL CB C 13 30.783 0.00 . . . . . . . 247 VAL CB . 53374 1 241 . 1 . 1 65 65 VAL N N 15 120.775 0.02 . . . . . . . 247 VAL N . 53374 1 242 . 1 . 1 66 66 THR H H 1 8.968 0.00 . . . . . . . 248 THR H . 53374 1 243 . 1 . 1 66 66 THR CA C 13 66.383 0.00 . . . . . . . 248 THR CA . 53374 1 244 . 1 . 1 66 66 THR CB C 13 67.515 0.05 . . . . . . . 248 THR CB . 53374 1 245 . 1 . 1 66 66 THR N N 15 112.636 0.02 . . . . . . . 248 THR N . 53374 1 246 . 1 . 1 67 67 ARG H H 1 7.634 0.00 . . . . . . . 249 ARG H . 53374 1 247 . 1 . 1 67 67 ARG CA C 13 59.258 0.06 . . . . . . . 249 ARG CA . 53374 1 248 . 1 . 1 67 67 ARG CB C 13 29.438 0.01 . . . . . . . 249 ARG CB . 53374 1 249 . 1 . 1 67 67 ARG N N 15 122.707 0.03 . . . . . . . 249 ARG N . 53374 1 250 . 1 . 1 68 68 LEU H H 1 7.808 0.00 . . . . . . . 250 LEU H . 53374 1 251 . 1 . 1 68 68 LEU CA C 13 57.802 0.00 . . . . . . . 250 LEU CA . 53374 1 252 . 1 . 1 68 68 LEU CB C 13 42.380 0.01 . . . . . . . 250 LEU CB . 53374 1 253 . 1 . 1 68 68 LEU N N 15 118.936 0.00 . . . . . . . 250 LEU N . 53374 1 254 . 1 . 1 69 69 ALA H H 1 8.377 0.00 . . . . . . . 251 ALA H . 53374 1 255 . 1 . 1 69 69 ALA CA C 13 54.820 0.01 . . . . . . . 251 ALA CA . 53374 1 256 . 1 . 1 69 69 ALA CB C 13 19.127 0.02 . . . . . . . 251 ALA CB . 53374 1 257 . 1 . 1 69 69 ALA N N 15 119.266 0.06 . . . . . . . 251 ALA N . 53374 1 258 . 1 . 1 70 70 HIS H H 1 8.523 0.00 . . . . . . . 252 HIS H . 53374 1 259 . 1 . 1 70 70 HIS CA C 13 59.254 0.07 . . . . . . . 252 HIS CA . 53374 1 260 . 1 . 1 70 70 HIS CB C 13 28.480 0.01 . . . . . . . 252 HIS CB . 53374 1 261 . 1 . 1 70 70 HIS N N 15 118.658 0.03 . . . . . . . 252 HIS N . 53374 1 262 . 1 . 1 71 71 ASP H H 1 7.731 0.00 . . . . . . . 253 ASP H . 53374 1 263 . 1 . 1 71 71 ASP CA C 13 54.514 0.00 . . . . . . . 253 ASP CA . 53374 1 264 . 1 . 1 71 71 ASP CB C 13 40.982 0.02 . . . . . . . 253 ASP CB . 53374 1 265 . 1 . 1 71 71 ASP N N 15 116.777 0.02 . . . . . . . 253 ASP N . 53374 1 266 . 1 . 1 72 72 GLY H H 1 7.895 0.00 . . . . . . . 254 GLY H . 53374 1 267 . 1 . 1 72 72 GLY CA C 13 45.751 0.02 . . . . . . . 254 GLY CA . 53374 1 268 . 1 . 1 72 72 GLY N N 15 108.978 0.26 . . . . . . . 254 GLY N . 53374 1 269 . 1 . 1 73 73 SER H H 1 8.134 0.00 . . . . . . . 255 SER H . 53374 1 270 . 1 . 1 73 73 SER CA C 13 58.117 0.00 . . . . . . . 255 SER CA . 53374 1 271 . 1 . 1 73 73 SER CB C 13 64.625 0.01 . . . . . . . 255 SER CB . 53374 1 272 . 1 . 1 73 73 SER N N 15 117.386 0.01 . . . . . . . 255 SER N . 53374 1 273 . 1 . 1 74 74 LYS H H 1 8.227 0.00 . . . . . . . 256 LYS H . 53374 1 274 . 1 . 1 74 74 LYS CA C 13 56.378 0.01 . . . . . . . 256 LYS CA . 53374 1 275 . 1 . 1 74 74 LYS CB C 13 32.311 0.01 . . . . . . . 256 LYS CB . 53374 1 276 . 1 . 1 74 74 LYS N N 15 120.603 0.02 . . . . . . . 256 LYS N . 53374 1 277 . 1 . 1 75 75 ILE H H 1 9.091 0.00 . . . . . . . 257 ILE H . 53374 1 278 . 1 . 1 75 75 ILE CA C 13 58.794 0.00 . . . . . . . 257 ILE CA . 53374 1 279 . 1 . 1 75 75 ILE CB C 13 38.324 0.00 . . . . . . . 257 ILE CB . 53374 1 280 . 1 . 1 75 75 ILE N N 15 120.325 0.03 . . . . . . . 257 ILE N . 53374 1 281 . 1 . 1 76 76 PRO CA C 13 61.595 0.00 . . . . . . . 258 PRO CA . 53374 1 282 . 1 . 1 76 76 PRO CB C 13 28.503 0.00 . . . . . . . 258 PRO CB . 53374 1 283 . 1 . 1 77 77 LEU H H 1 7.774 0.00 . . . . . . . 259 LEU H . 53374 1 284 . 1 . 1 77 77 LEU CA C 13 59.178 0.04 . . . . . . . 259 LEU CA . 53374 1 285 . 1 . 1 77 77 LEU CB C 13 42.488 0.01 . . . . . . . 259 LEU CB . 53374 1 286 . 1 . 1 77 77 LEU N N 15 129.405 0.03 . . . . . . . 259 LEU N . 53374 1 287 . 1 . 1 78 78 ARG H H 1 8.298 0.00 . . . . . . . 260 ARG H . 53374 1 288 . 1 . 1 78 78 ARG CA C 13 60.454 0.07 . . . . . . . 260 ARG CA . 53374 1 289 . 1 . 1 78 78 ARG CB C 13 28.468 0.06 . . . . . . . 260 ARG CB . 53374 1 290 . 1 . 1 78 78 ARG N N 15 119.931 0.06 . . . . . . . 260 ARG N . 53374 1 291 . 1 . 1 79 79 CYS H H 1 7.885 0.00 . . . . . . . 261 CYS H . 53374 1 292 . 1 . 1 79 79 CYS CA C 13 62.266 0.06 . . . . . . . 261 CYS CA . 53374 1 293 . 1 . 1 79 79 CYS CB C 13 26.074 0.02 . . . . . . . 261 CYS CB . 53374 1 294 . 1 . 1 79 79 CYS N N 15 117.745 0.02 . . . . . . . 261 CYS N . 53374 1 295 . 1 . 1 80 80 VAL H H 1 8.132 0.00 . . . . . . . 262 VAL H . 53374 1 296 . 1 . 1 80 80 VAL CA C 13 67.116 0.03 . . . . . . . 262 VAL CA . 53374 1 297 . 1 . 1 80 80 VAL CB C 13 31.954 0.08 . . . . . . . 262 VAL CB . 53374 1 298 . 1 . 1 80 80 VAL N N 15 118.044 0.02 . . . . . . . 262 VAL N . 53374 1 299 . 1 . 1 81 81 LEU H H 1 8.754 0.00 . . . . . . . 263 LEU H . 53374 1 300 . 1 . 1 81 81 LEU CA C 13 58.041 0.00 . . . . . . . 263 LEU CA . 53374 1 301 . 1 . 1 81 81 LEU CB C 13 39.769 0.03 . . . . . . . 263 LEU CB . 53374 1 302 . 1 . 1 81 81 LEU N N 15 119.403 0.02 . . . . . . . 263 LEU N . 53374 1 303 . 1 . 1 82 82 GLY H H 1 8.504 0.00 . . . . . . . 264 GLY H . 53374 1 304 . 1 . 1 82 82 GLY CA C 13 47.785 0.04 . . . . . . . 264 GLY CA . 53374 1 305 . 1 . 1 82 82 GLY N N 15 104.679 0.02 . . . . . . . 264 GLY N . 53374 1 306 . 1 . 1 83 83 TRP H H 1 8.601 0.00 . . . . . . . 265 TRP H . 53374 1 307 . 1 . 1 83 83 TRP HE1 H 1 10.592 0.00 . . . . . . . 265 TRP HE1 . 53374 1 308 . 1 . 1 83 83 TRP CA C 13 61.092 0.00 . . . . . . . 265 TRP CA . 53374 1 309 . 1 . 1 83 83 TRP CB C 13 29.098 0.04 . . . . . . . 265 TRP CB . 53374 1 310 . 1 . 1 83 83 TRP N N 15 121.801 0.01 . . . . . . . 265 TRP N . 53374 1 311 . 1 . 1 83 83 TRP NE1 N 15 131.217 0.00 . . . . . . . 265 TRP NE1 . 53374 1 312 . 1 . 1 84 84 VAL H H 1 8.796 0.00 . . . . . . . 266 VAL H . 53374 1 313 . 1 . 1 84 84 VAL CA C 13 66.537 0.01 . . . . . . . 266 VAL CA . 53374 1 314 . 1 . 1 84 84 VAL CB C 13 32.397 0.04 . . . . . . . 266 VAL CB . 53374 1 315 . 1 . 1 84 84 VAL N N 15 117.909 0.00 . . . . . . . 266 VAL N . 53374 1 316 . 1 . 1 85 85 ALA H H 1 9.176 0.00 . . . . . . . 267 ALA H . 53374 1 317 . 1 . 1 85 85 ALA CA C 13 55.118 0.01 . . . . . . . 267 ALA CA . 53374 1 318 . 1 . 1 85 85 ALA CB C 13 16.727 0.01 . . . . . . . 267 ALA CB . 53374 1 319 . 1 . 1 85 85 ALA N N 15 124.222 0.01 . . . . . . . 267 ALA N . 53374 1 320 . 1 . 1 86 86 LEU H H 1 8.057 0.00 . . . . . . . 268 LEU H . 53374 1 321 . 1 . 1 86 86 LEU CA C 13 57.911 0.08 . . . . . . . 268 LEU CA . 53374 1 322 . 1 . 1 86 86 LEU CB C 13 41.924 0.01 . . . . . . . 268 LEU CB . 53374 1 323 . 1 . 1 86 86 LEU N N 15 118.784 0.00 . . . . . . . 268 LEU N . 53374 1 324 . 1 . 1 87 87 ALA H H 1 6.914 0.00 . . . . . . . 269 ALA H . 53374 1 325 . 1 . 1 87 87 ALA CA C 13 53.418 0.01 . . . . . . . 269 ALA CA . 53374 1 326 . 1 . 1 87 87 ALA CB C 13 19.541 0.02 . . . . . . . 269 ALA CB . 53374 1 327 . 1 . 1 87 87 ALA N N 15 115.823 0.01 . . . . . . . 269 ALA N . 53374 1 328 . 1 . 1 88 88 ASN H H 1 7.444 0.00 . . . . . . . 270 ASN H . 53374 1 329 . 1 . 1 88 88 ASN CA C 13 55.425 0.01 . . . . . . . 270 ASN CA . 53374 1 330 . 1 . 1 88 88 ASN CB C 13 44.343 0.01 . . . . . . . 270 ASN CB . 53374 1 331 . 1 . 1 88 88 ASN N N 15 112.232 0.02 . . . . . . . 270 ASN N . 53374 1 332 . 1 . 1 89 89 SER H H 1 8.910 0.00 . . . . . . . 271 SER H . 53374 1 333 . 1 . 1 89 89 SER CA C 13 55.898 0.00 . . . . . . . 271 SER CA . 53374 1 334 . 1 . 1 89 89 SER CB C 13 62.716 0.00 . . . . . . . 271 SER CB . 53374 1 335 . 1 . 1 89 89 SER N N 15 115.063 0.00 . . . . . . . 271 SER N . 53374 1 336 . 1 . 1 90 90 LYS CA C 13 58.894 0.00 . . . . . . . 272 LYS CA . 53374 1 337 . 1 . 1 90 90 LYS CB C 13 31.747 0.00 . . . . . . . 272 LYS CB . 53374 1 338 . 1 . 1 91 91 LYS H H 1 8.210 0.00 . . . . . . . 273 LYS H . 53374 1 339 . 1 . 1 91 91 LYS CA C 13 59.436 0.02 . . . . . . . 273 LYS CA . 53374 1 340 . 1 . 1 91 91 LYS CB C 13 32.353 0.01 . . . . . . . 273 LYS CB . 53374 1 341 . 1 . 1 91 91 LYS N N 15 117.912 0.05 . . . . . . . 273 LYS N . 53374 1 342 . 1 . 1 92 92 PHE H H 1 7.764 0.00 . . . . . . . 274 PHE H . 53374 1 343 . 1 . 1 92 92 PHE CA C 13 61.508 0.02 . . . . . . . 274 PHE CA . 53374 1 344 . 1 . 1 92 92 PHE CB C 13 39.589 0.03 . . . . . . . 274 PHE CB . 53374 1 345 . 1 . 1 92 92 PHE N N 15 119.350 0.03 . . . . . . . 274 PHE N . 53374 1 346 . 1 . 1 93 93 GLN H H 1 8.110 0.00 . . . . . . . 275 GLN H . 53374 1 347 . 1 . 1 93 93 GLN CA C 13 59.002 0.01 . . . . . . . 275 GLN CA . 53374 1 348 . 1 . 1 93 93 GLN CB C 13 28.136 0.03 . . . . . . . 275 GLN CB . 53374 1 349 . 1 . 1 93 93 GLN N N 15 115.184 0.03 . . . . . . . 275 GLN N . 53374 1 350 . 1 . 1 94 94 LEU H H 1 7.543 0.00 . . . . . . . 276 LEU H . 53374 1 351 . 1 . 1 94 94 LEU CA C 13 56.674 0.02 . . . . . . . 276 LEU CA . 53374 1 352 . 1 . 1 94 94 LEU CB C 13 42.460 0.01 . . . . . . . 276 LEU CB . 53374 1 353 . 1 . 1 94 94 LEU N N 15 116.424 0.04 . . . . . . . 276 LEU N . 53374 1 354 . 1 . 1 95 95 LEU H H 1 7.200 0.00 . . . . . . . 277 LEU H . 53374 1 355 . 1 . 1 95 95 LEU CA C 13 55.963 0.05 . . . . . . . 277 LEU CA . 53374 1 356 . 1 . 1 95 95 LEU CB C 13 43.031 0.04 . . . . . . . 277 LEU CB . 53374 1 357 . 1 . 1 95 95 LEU N N 15 118.639 0.01 . . . . . . . 277 LEU N . 53374 1 358 . 1 . 1 96 96 VAL H H 1 7.407 0.00 . . . . . . . 278 VAL H . 53374 1 359 . 1 . 1 96 96 VAL CA C 13 61.080 0.01 . . . . . . . 278 VAL CA . 53374 1 360 . 1 . 1 96 96 VAL CB C 13 32.877 0.00 . . . . . . . 278 VAL CB . 53374 1 361 . 1 . 1 96 96 VAL N N 15 118.953 0.01 . . . . . . . 278 VAL N . 53374 1 362 . 1 . 1 97 97 GLU H H 1 7.585 0.00 . . . . . . . 279 GLU H . 53374 1 363 . 1 . 1 97 97 GLU CA C 13 55.398 0.04 . . . . . . . 279 GLU CA . 53374 1 364 . 1 . 1 97 97 GLU CB C 13 29.237 0.01 . . . . . . . 279 GLU CB . 53374 1 365 . 1 . 1 97 97 GLU N N 15 128.417 0.03 . . . . . . . 279 GLU N . 53374 1 366 . 1 . 1 98 98 ALA H H 1 8.690 0.00 . . . . . . . 280 ALA H . 53374 1 367 . 1 . 1 98 98 ALA CA C 13 56.340 0.01 . . . . . . . 280 ALA CA . 53374 1 368 . 1 . 1 98 98 ALA CB C 13 18.641 0.00 . . . . . . . 280 ALA CB . 53374 1 369 . 1 . 1 98 98 ALA N N 15 128.765 0.02 . . . . . . . 280 ALA N . 53374 1 370 . 1 . 1 99 99 ASP H H 1 8.839 0.00 . . . . . . . 281 ASP H . 53374 1 371 . 1 . 1 99 99 ASP CA C 13 57.766 0.00 . . . . . . . 281 ASP CA . 53374 1 372 . 1 . 1 99 99 ASP CB C 13 40.455 0.00 . . . . . . . 281 ASP CB . 53374 1 373 . 1 . 1 99 99 ASP N N 15 120.323 0.03 . . . . . . . 281 ASP N . 53374 1 374 . 1 . 1 100 100 LYS H H 1 8.262 0.00 . . . . . . . 282 LYS H . 53374 1 375 . 1 . 1 100 100 LYS CA C 13 59.181 0.00 . . . . . . . 282 LYS CA . 53374 1 376 . 1 . 1 100 100 LYS CB C 13 32.932 0.01 . . . . . . . 282 LYS CB . 53374 1 377 . 1 . 1 100 100 LYS N N 15 121.102 0.02 . . . . . . . 282 LYS N . 53374 1 378 . 1 . 1 101 101 LEU H H 1 8.611 0.00 . . . . . . . 283 LEU H . 53374 1 379 . 1 . 1 101 101 LEU CA C 13 57.910 0.04 . . . . . . . 283 LEU CA . 53374 1 380 . 1 . 1 101 101 LEU CB C 13 41.469 0.05 . . . . . . . 283 LEU CB . 53374 1 381 . 1 . 1 101 101 LEU N N 15 119.856 0.02 . . . . . . . 283 LEU N . 53374 1 382 . 1 . 1 102 102 SER H H 1 8.287 0.00 . . . . . . . 284 SER H . 53374 1 383 . 1 . 1 102 102 SER CA C 13 62.575 0.12 . . . . . . . 284 SER CA . 53374 1 384 . 1 . 1 102 102 SER N N 15 114.738 0.02 . . . . . . . 284 SER N . 53374 1 385 . 1 . 1 103 103 LYS H H 1 7.264 0.00 . . . . . . . 285 LYS H . 53374 1 386 . 1 . 1 103 103 LYS CA C 13 59.374 0.04 . . . . . . . 285 LYS CA . 53374 1 387 . 1 . 1 103 103 LYS CB C 13 32.353 0.01 . . . . . . . 285 LYS CB . 53374 1 388 . 1 . 1 103 103 LYS N N 15 121.105 0.01 . . . . . . . 285 LYS N . 53374 1 389 . 1 . 1 104 104 ILE H H 1 7.881 0.00 . . . . . . . 286 ILE H . 53374 1 390 . 1 . 1 104 104 ILE CA C 13 64.741 0.05 . . . . . . . 286 ILE CA . 53374 1 391 . 1 . 1 104 104 ILE CB C 13 38.730 0.05 . . . . . . . 286 ILE CB . 53374 1 392 . 1 . 1 104 104 ILE N N 15 120.112 0.03 . . . . . . . 286 ILE N . 53374 1 393 . 1 . 1 105 105 MET H H 1 8.765 0.00 . . . . . . . 287 MET H . 53374 1 394 . 1 . 1 105 105 MET CA C 13 60.198 0.04 . . . . . . . 287 MET CA . 53374 1 395 . 1 . 1 105 105 MET CB C 13 33.192 0.06 . . . . . . . 287 MET CB . 53374 1 396 . 1 . 1 105 105 MET N N 15 117.967 0.02 . . . . . . . 287 MET N . 53374 1 397 . 1 . 1 106 106 GLN H H 1 7.952 0.00 . . . . . . . 288 GLN H . 53374 1 398 . 1 . 1 106 106 GLN CA C 13 58.878 0.00 . . . . . . . 288 GLN CA . 53374 1 399 . 1 . 1 106 106 GLN CB C 13 28.716 0.00 . . . . . . . 288 GLN CB . 53374 1 400 . 1 . 1 106 106 GLN N N 15 117.563 0.05 . . . . . . . 288 GLN N . 53374 1 401 . 1 . 1 107 107 ASP H H 1 8.302 0.00 . . . . . . . 289 ASP H . 53374 1 402 . 1 . 1 107 107 ASP CA C 13 57.564 0.02 . . . . . . . 289 ASP CA . 53374 1 403 . 1 . 1 107 107 ASP CB C 13 40.660 0.17 . . . . . . . 289 ASP CB . 53374 1 404 . 1 . 1 107 107 ASP N N 15 120.387 0.11 . . . . . . . 289 ASP N . 53374 1 405 . 1 . 1 108 108 ASP H H 1 8.639 0.00 . . . . . . . 290 ASP H . 53374 1 406 . 1 . 1 108 108 ASP CA C 13 57.545 0.00 . . . . . . . 290 ASP CA . 53374 1 407 . 1 . 1 108 108 ASP CB C 13 40.808 0.03 . . . . . . . 290 ASP CB . 53374 1 408 . 1 . 1 108 108 ASP N N 15 120.899 0.01 . . . . . . . 290 ASP N . 53374 1 409 . 1 . 1 109 109 LEU H H 1 8.415 0.00 . . . . . . . 291 LEU H . 53374 1 410 . 1 . 1 109 109 LEU CA C 13 58.093 0.01 . . . . . . . 291 LEU CA . 53374 1 411 . 1 . 1 109 109 LEU CB C 13 41.258 0.00 . . . . . . . 291 LEU CB . 53374 1 412 . 1 . 1 109 109 LEU N N 15 119.153 0.07 . . . . . . . 291 LEU N . 53374 1 413 . 1 . 1 110 110 ASN H H 1 8.345 0.00 . . . . . . . 292 ASN H . 53374 1 414 . 1 . 1 110 110 ASN CA C 13 55.552 0.06 . . . . . . . 292 ASN CA . 53374 1 415 . 1 . 1 110 110 ASN CB C 13 38.376 0.04 . . . . . . . 292 ASN CB . 53374 1 416 . 1 . 1 110 110 ASN N N 15 118.868 0.04 . . . . . . . 292 ASN N . 53374 1 417 . 1 . 1 111 111 ARG H H 1 8.007 0.00 . . . . . . . 293 ARG H . 53374 1 418 . 1 . 1 111 111 ARG CA C 13 58.323 0.04 . . . . . . . 293 ARG CA . 53374 1 419 . 1 . 1 111 111 ARG CB C 13 30.272 0.02 . . . . . . . 293 ARG CB . 53374 1 420 . 1 . 1 111 111 ARG N N 15 119.132 0.03 . . . . . . . 293 ARG N . 53374 1 421 . 1 . 1 112 112 TYR H H 1 8.184 0.00 . . . . . . . 294 TYR H . 53374 1 422 . 1 . 1 112 112 TYR CA C 13 59.676 0.04 . . . . . . . 294 TYR CA . 53374 1 423 . 1 . 1 112 112 TYR CB C 13 38.948 0.02 . . . . . . . 294 TYR CB . 53374 1 424 . 1 . 1 112 112 TYR N N 15 117.325 0.03 . . . . . . . 294 TYR N . 53374 1 425 . 1 . 1 113 113 THR H H 1 7.911 0.00 . . . . . . . 295 THR H . 53374 1 426 . 1 . 1 113 113 THR CA C 13 62.152 0.02 . . . . . . . 295 THR CA . 53374 1 427 . 1 . 1 113 113 THR CB C 13 70.091 0.01 . . . . . . . 295 THR CB . 53374 1 428 . 1 . 1 113 113 THR N N 15 111.032 0.03 . . . . . . . 295 THR N . 53374 1 429 . 1 . 1 114 114 SER H H 1 7.951 0.00 . . . . . . . 296 SER H . 53374 1 430 . 1 . 1 114 114 SER CA C 13 58.562 0.03 . . . . . . . 296 SER CA . 53374 1 431 . 1 . 1 114 114 SER CB C 13 64.149 0.01 . . . . . . . 296 SER CB . 53374 1 432 . 1 . 1 114 114 SER N N 15 117.821 0.02 . . . . . . . 296 SER N . 53374 1 433 . 1 . 1 115 115 SER H H 1 7.998 0.00 . . . . . . . 297 SER H . 53374 1 434 . 1 . 1 115 115 SER CA C 13 60.085 0.00 . . . . . . . 297 SER CA . 53374 1 435 . 1 . 1 115 115 SER CB C 13 64.840 0.00 . . . . . . . 297 SER CB . 53374 1 436 . 1 . 1 115 115 SER N N 15 123.170 0.01 . . . . . . . 297 SER N . 53374 1 stop_ save_