data_30768 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30768 _Entry.Title ; Structure of the Self-Association Domain of Swallow ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-07-07 _Entry.Accession_date 2020-07-07 _Entry.Last_release_date 2020-07-16 _Entry.Original_release_date 2020-07-16 _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 NMR' _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 N. Loening N. M. . . 30768 2 E. Barbar E. . . . 30768 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'RNA BINDING PROTEIN' . 30768 'coiled coil' . 30768 'self-association domain' . 30768 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30768 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 345 30768 '15N chemical shifts' 89 30768 '1H chemical shifts' 535 30768 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 2 . . 2021-09-28 2020-07-07 update BMRB 'update entry citation' 30768 1 . . 2021-03-19 2020-07-07 original author 'original release' 30768 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6XOR 'BMRB Entry Tracking System' 30768 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30768 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33641207 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural characterization of the self-association domain of swallow ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 30 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 1056 _Citation.Page_last 1063 _Citation.Year 2021 _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 N. Loening N. M. . . 30768 1 2 E. Barbar E. . . . 30768 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30768 _Assembly.ID 1 _Assembly.Name 'Dynein intermediate chain protein' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'This protein is a symmetrical homodimer.' _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 unit_1 1 $entity_1 A A yes . . . . . . 30768 1 2 unit_2 1 $entity_1 B B yes . . . . . . 30768 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30768 _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 A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SFDRLLAENESLQQKINSLE VEAKRLQGFNEYVQERLDRI TDDFVKMKDNFETLRTELSE AQQKLRRQQDN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 71 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation 'R224E, K244I, C253D, C265A' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8559.464 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 205 SER . 30768 1 2 206 PHE . 30768 1 3 207 ASP . 30768 1 4 208 ARG . 30768 1 5 209 LEU . 30768 1 6 210 LEU . 30768 1 7 211 ALA . 30768 1 8 212 GLU . 30768 1 9 213 ASN . 30768 1 10 214 GLU . 30768 1 11 215 SER . 30768 1 12 216 LEU . 30768 1 13 217 GLN . 30768 1 14 218 GLN . 30768 1 15 219 LYS . 30768 1 16 220 ILE . 30768 1 17 221 ASN . 30768 1 18 222 SER . 30768 1 19 223 LEU . 30768 1 20 224 GLU . 30768 1 21 225 VAL . 30768 1 22 226 GLU . 30768 1 23 227 ALA . 30768 1 24 228 LYS . 30768 1 25 229 ARG . 30768 1 26 230 LEU . 30768 1 27 231 GLN . 30768 1 28 232 GLY . 30768 1 29 233 PHE . 30768 1 30 234 ASN . 30768 1 31 235 GLU . 30768 1 32 236 TYR . 30768 1 33 237 VAL . 30768 1 34 238 GLN . 30768 1 35 239 GLU . 30768 1 36 240 ARG . 30768 1 37 241 LEU . 30768 1 38 242 ASP . 30768 1 39 243 ARG . 30768 1 40 244 ILE . 30768 1 41 245 THR . 30768 1 42 246 ASP . 30768 1 43 247 ASP . 30768 1 44 248 PHE . 30768 1 45 249 VAL . 30768 1 46 250 LYS . 30768 1 47 251 MET . 30768 1 48 252 LYS . 30768 1 49 253 ASP . 30768 1 50 254 ASN . 30768 1 51 255 PHE . 30768 1 52 256 GLU . 30768 1 53 257 THR . 30768 1 54 258 LEU . 30768 1 55 259 ARG . 30768 1 56 260 THR . 30768 1 57 261 GLU . 30768 1 58 262 LEU . 30768 1 59 263 SER . 30768 1 60 264 GLU . 30768 1 61 265 ALA . 30768 1 62 266 GLN . 30768 1 63 267 GLN . 30768 1 64 268 LYS . 30768 1 65 269 LEU . 30768 1 66 270 ARG . 30768 1 67 271 ARG . 30768 1 68 272 GLN . 30768 1 69 273 GLN . 30768 1 70 274 ASP . 30768 1 71 275 ASN . 30768 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 . SER 1 1 30768 1 . PHE 2 2 30768 1 . ASP 3 3 30768 1 . ARG 4 4 30768 1 . LEU 5 5 30768 1 . LEU 6 6 30768 1 . ALA 7 7 30768 1 . GLU 8 8 30768 1 . ASN 9 9 30768 1 . GLU 10 10 30768 1 . SER 11 11 30768 1 . LEU 12 12 30768 1 . GLN 13 13 30768 1 . GLN 14 14 30768 1 . LYS 15 15 30768 1 . ILE 16 16 30768 1 . ASN 17 17 30768 1 . SER 18 18 30768 1 . LEU 19 19 30768 1 . GLU 20 20 30768 1 . VAL 21 21 30768 1 . GLU 22 22 30768 1 . ALA 23 23 30768 1 . LYS 24 24 30768 1 . ARG 25 25 30768 1 . LEU 26 26 30768 1 . GLN 27 27 30768 1 . GLY 28 28 30768 1 . PHE 29 29 30768 1 . ASN 30 30 30768 1 . GLU 31 31 30768 1 . TYR 32 32 30768 1 . VAL 33 33 30768 1 . GLN 34 34 30768 1 . GLU 35 35 30768 1 . ARG 36 36 30768 1 . LEU 37 37 30768 1 . ASP 38 38 30768 1 . ARG 39 39 30768 1 . ILE 40 40 30768 1 . THR 41 41 30768 1 . ASP 42 42 30768 1 . ASP 43 43 30768 1 . PHE 44 44 30768 1 . VAL 45 45 30768 1 . LYS 46 46 30768 1 . MET 47 47 30768 1 . LYS 48 48 30768 1 . ASP 49 49 30768 1 . ASN 50 50 30768 1 . PHE 51 51 30768 1 . GLU 52 52 30768 1 . THR 53 53 30768 1 . LEU 54 54 30768 1 . ARG 55 55 30768 1 . THR 56 56 30768 1 . GLU 57 57 30768 1 . LEU 58 58 30768 1 . SER 59 59 30768 1 . GLU 60 60 30768 1 . ALA 61 61 30768 1 . GLN 62 62 30768 1 . GLN 63 63 30768 1 . LYS 64 64 30768 1 . LEU 65 65 30768 1 . ARG 66 66 30768 1 . ARG 67 67 30768 1 . GLN 68 68 30768 1 . GLN 69 69 30768 1 . ASP 70 70 30768 1 . ASN 71 71 30768 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 30768 _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 . 7227 organism . 'Drosophila melanogaster' 'Fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . 'swa, CG3429' . 30768 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 30768 _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 BL21(DE3)' . . 469008 . . BL21(DE3) . . plasmid . . 'Champion pET SUMO' . . . 30768 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30768 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.5 mM [U-99% 13C; U-99% 15N] Residues 205-275 of Swallow, 10 mM sodium chloride, 20 mM MES, 1 mM sodium azide, 0.2 mM DSS, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Residues 205-275 of Swallow' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 30768 1 2 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 30768 1 3 MES 'natural abundance' . . . . . . 20 . . mM . . . . 30768 1 4 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 30768 1 5 DSS 'natural abundance' . . . . . . 0.2 . . mM . . . . 30768 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30768 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.4 mM [U-99% 13C; U-99% 15N] Residues 205-275 of Swallow, 10 mM sodium chloride, 20 mM MES, 1 mM sodium azide, 0.2 mM DSS, 0.4 mM unlabeled Residues 205-275 of Swallow, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Residues 205-275 of Swallow' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.4 . . mM . . . . 30768 2 2 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 30768 2 3 MES 'natural abundance' . . . . . . 20 . . mM . . . . 30768 2 4 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 30768 2 5 DSS 'natural abundance' . . . . . . 0.2 . . mM . . . . 30768 2 6 'unlabeled Residues 205-275 of Swallow' 'natural abundance' . . 1 $entity_1 . . 0.4 . . mM . . . . 30768 2 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 30768 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 30 . mM 30768 1 pH 5.6 . pH 30768 1 pressure 1 . atm 30768 1 temperature 313 . K 30768 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30768 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version 1.21 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 30768 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30768 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30768 _Software.ID 2 _Software.Type . _Software.Name ARIA _Software.Version 2.3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 30768 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 30768 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30768 _Software.ID 3 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version 2.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 30768 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30768 3 'peak picking' . 30768 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 30768 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30768 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 30768 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 30768 _NMR_spectrometer.ID 4 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_5 _NMR_spectrometer.Entry_ID 30768 _NMR_spectrometer.ID 5 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 30768 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 NMR_spectrometer_1 Bruker 'AVANCE III' . 950 . . . 30768 1 2 NMR_spectrometer_2 Bruker 'AVANCE II' . 600 . . . 30768 1 3 NMR_spectrometer_3 Bruker 'AVANCE III' . 900 . . . 30768 1 4 NMR_spectrometer_4 Bruker 'AVANCE III' . 700 . . . 30768 1 5 NMR_spectrometer_5 Bruker 'AVANCE III HD' . 800 . . . 30768 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 30768 _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-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30768 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30768 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30768 1 4 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30768 1 5 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 30768 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 30768 1 7 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30768 1 8 '3D HN(COCA)CB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 30768 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 30768 1 10 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30768 1 11 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30768 1 12 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30768 1 13 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30768 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 30768 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 0.000 internal indirect 0.251449530 . . . . . 30768 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30768 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 30768 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 30768 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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-13C HSQC' . . . 30768 1 2 '2D 1H-15N HSQC' . . . 30768 1 3 '3D 1H-15N NOESY' . . . 30768 1 4 '3D 1H-13C NOESY' . . . 30768 1 5 '3D 1H-13C NOESY aromatic' . . . 30768 1 6 '3D 1H-13C NOESY' . . . 30768 1 7 '3D HNCACB' . . . 30768 1 8 '3D HN(COCA)CB' . . . 30768 1 9 '3D HBHA(CO)NH' . . . 30768 1 10 '3D H(CCO)NH' . . . 30768 1 11 '3D C(CO)NH' . . . 30768 1 12 '3D HNCO' . . . 30768 1 13 '3D HN(CA)CO' . . . 30768 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 1 1 SER HA H 1 4.398 0.005 . 1 . . . . A 205 SER HA . 30768 1 2 . 1 . 1 1 1 SER HB2 H 1 3.894 0.000 . 2 . . . . A 205 SER HB2 . 30768 1 3 . 1 . 1 1 1 SER HB3 H 1 3.938 0.002 . 2 . . . . A 205 SER HB3 . 30768 1 4 . 1 . 1 1 1 SER C C 13 175.457 0.000 . 1 . . . . A 205 SER C . 30768 1 5 . 1 . 1 1 1 SER CA C 13 58.902 0.013 . 1 . . . . A 205 SER CA . 30768 1 6 . 1 . 1 1 1 SER CB C 13 63.996 0.053 . 1 . . . . A 205 SER CB . 30768 1 7 . 1 . 1 2 2 PHE H H 1 8.483 0.005 . 1 . . . . A 206 PHE H . 30768 1 8 . 1 . 1 2 2 PHE HA H 1 4.588 0.005 . 1 . . . . A 206 PHE HA . 30768 1 9 . 1 . 1 2 2 PHE HB2 H 1 3.164 0.006 . 2 . . . . A 206 PHE HB2 . 30768 1 10 . 1 . 1 2 2 PHE HB3 H 1 3.060 0.006 . 2 . . . . A 206 PHE HB3 . 30768 1 11 . 1 . 1 2 2 PHE HD1 H 1 7.239 0.006 . 1 . . . . A 206 PHE HD1 . 30768 1 12 . 1 . 1 2 2 PHE HD2 H 1 7.239 0.006 . 1 . . . . A 206 PHE HD2 . 30768 1 13 . 1 . 1 2 2 PHE HE1 H 1 7.290 0.002 . 1 . . . . A 206 PHE HE1 . 30768 1 14 . 1 . 1 2 2 PHE HE2 H 1 7.290 0.002 . 1 . . . . A 206 PHE HE2 . 30768 1 15 . 1 . 1 2 2 PHE HZ H 1 7.278 0.002 . 1 . . . . A 206 PHE HZ . 30768 1 16 . 1 . 1 2 2 PHE C C 13 175.508 0.078 . 1 . . . . A 206 PHE C . 30768 1 17 . 1 . 1 2 2 PHE CA C 13 58.582 0.042 . 1 . . . . A 206 PHE CA . 30768 1 18 . 1 . 1 2 2 PHE CB C 13 39.283 0.031 . 1 . . . . A 206 PHE CB . 30768 1 19 . 1 . 1 2 2 PHE CD1 C 13 131.880 0.045 . 1 . . . . A 206 PHE CD1 . 30768 1 20 . 1 . 1 2 2 PHE CD2 C 13 131.880 0.045 . 1 . . . . A 206 PHE CD2 . 30768 1 21 . 1 . 1 2 2 PHE CE1 C 13 131.399 0.016 . 1 . . . . A 206 PHE CE1 . 30768 1 22 . 1 . 1 2 2 PHE CE2 C 13 131.399 0.016 . 1 . . . . A 206 PHE CE2 . 30768 1 23 . 1 . 1 2 2 PHE CZ C 13 129.822 0.061 . 1 . . . . A 206 PHE CZ . 30768 1 24 . 1 . 1 2 2 PHE N N 15 122.654 0.027 . 1 . . . . A 206 PHE N . 30768 1 25 . 1 . 1 3 3 ASP H H 1 8.276 0.003 . 1 . . . . A 207 ASP H . 30768 1 26 . 1 . 1 3 3 ASP HA H 1 4.441 0.004 . 1 . . . . A 207 ASP HA . 30768 1 27 . 1 . 1 3 3 ASP HB2 H 1 2.559 0.004 . 2 . . . . A 207 ASP HB2 . 30768 1 28 . 1 . 1 3 3 ASP HB3 H 1 2.665 0.002 . 2 . . . . A 207 ASP HB3 . 30768 1 29 . 1 . 1 3 3 ASP C C 13 176.873 0.003 . 1 . . . . A 207 ASP C . 30768 1 30 . 1 . 1 3 3 ASP CA C 13 55.288 0.034 . 1 . . . . A 207 ASP CA . 30768 1 31 . 1 . 1 3 3 ASP CB C 13 41.159 0.037 . 1 . . . . A 207 ASP CB . 30768 1 32 . 1 . 1 3 3 ASP N N 15 121.026 0.045 . 1 . . . . A 207 ASP N . 30768 1 33 . 1 . 1 4 4 ARG H H 1 8.080 0.015 . 1 . . . . A 208 ARG H . 30768 1 34 . 1 . 1 4 4 ARG HA H 1 4.185 0.002 . 1 . . . . A 208 ARG HA . 30768 1 35 . 1 . 1 4 4 ARG HB2 H 1 1.844 0.004 . 1 . . . . A 208 ARG HB2 . 30768 1 36 . 1 . 1 4 4 ARG HB3 H 1 1.844 0.004 . 1 . . . . A 208 ARG HB3 . 30768 1 37 . 1 . 1 4 4 ARG HG2 H 1 1.637 0.009 . 1 . . . . A 208 ARG HG2 . 30768 1 38 . 1 . 1 4 4 ARG HG3 H 1 1.637 0.009 . 1 . . . . A 208 ARG HG3 . 30768 1 39 . 1 . 1 4 4 ARG HD2 H 1 3.202 0.000 . 1 . . . . A 208 ARG HD2 . 30768 1 40 . 1 . 1 4 4 ARG HD3 H 1 3.202 0.000 . 1 . . . . A 208 ARG HD3 . 30768 1 41 . 1 . 1 4 4 ARG HE H 1 7.312 0.013 . 1 . . . . A 208 ARG HE . 30768 1 42 . 1 . 1 4 4 ARG C C 13 176.985 0.013 . 1 . . . . A 208 ARG C . 30768 1 43 . 1 . 1 4 4 ARG CA C 13 57.433 0.041 . 1 . . . . A 208 ARG CA . 30768 1 44 . 1 . 1 4 4 ARG CB C 13 30.436 0.030 . 1 . . . . A 208 ARG CB . 30768 1 45 . 1 . 1 4 4 ARG CG C 13 27.117 0.001 . 1 . . . . A 208 ARG CG . 30768 1 46 . 1 . 1 4 4 ARG CD C 13 43.400 0.000 . 1 . . . . A 208 ARG CD . 30768 1 47 . 1 . 1 4 4 ARG CZ C 13 159.696 0.000 . 1 . . . . A 208 ARG CZ . 30768 1 48 . 1 . 1 4 4 ARG N N 15 121.328 0.066 . 1 . . . . A 208 ARG N . 30768 1 49 . 1 . 1 4 4 ARG NE N 15 84.875 0.015 . 1 . . . . A 208 ARG NE . 30768 1 50 . 1 . 1 5 5 LEU H H 1 8.023 0.013 . 1 . . . . A 209 LEU H . 30768 1 51 . 1 . 1 5 5 LEU HA H 1 4.171 0.010 . 1 . . . . A 209 LEU HA . 30768 1 52 . 1 . 1 5 5 LEU HB2 H 1 1.661 0.004 . 2 . . . . A 209 LEU HB2 . 30768 1 53 . 1 . 1 5 5 LEU HB3 H 1 1.722 0.007 . 2 . . . . A 209 LEU HB3 . 30768 1 54 . 1 . 1 5 5 LEU HG H 1 1.625 0.006 . 1 . . . . A 209 LEU HG . 30768 1 55 . 1 . 1 5 5 LEU HD11 H 1 0.860 0.009 . 2 . . . . A 209 LEU HD11 . 30768 1 56 . 1 . 1 5 5 LEU HD12 H 1 0.860 0.009 . 2 . . . . A 209 LEU HD12 . 30768 1 57 . 1 . 1 5 5 LEU HD13 H 1 0.860 0.009 . 2 . . . . A 209 LEU HD13 . 30768 1 58 . 1 . 1 5 5 LEU HD21 H 1 0.897 0.008 . 2 . . . . A 209 LEU HD21 . 30768 1 59 . 1 . 1 5 5 LEU HD22 H 1 0.897 0.008 . 2 . . . . A 209 LEU HD22 . 30768 1 60 . 1 . 1 5 5 LEU HD23 H 1 0.897 0.008 . 2 . . . . A 209 LEU HD23 . 30768 1 61 . 1 . 1 5 5 LEU C C 13 178.321 0.001 . 1 . . . . A 209 LEU C . 30768 1 62 . 1 . 1 5 5 LEU CA C 13 56.740 0.061 . 1 . . . . A 209 LEU CA . 30768 1 63 . 1 . 1 5 5 LEU CB C 13 41.939 0.038 . 1 . . . . A 209 LEU CB . 30768 1 64 . 1 . 1 5 5 LEU CG C 13 27.346 0.065 . 1 . . . . A 209 LEU CG . 30768 1 65 . 1 . 1 5 5 LEU CD1 C 13 23.880 0.023 . 2 . . . . A 209 LEU CD1 . 30768 1 66 . 1 . 1 5 5 LEU CD2 C 13 25.152 0.008 . 2 . . . . A 209 LEU CD2 . 30768 1 67 . 1 . 1 5 5 LEU N N 15 121.311 0.126 . 1 . . . . A 209 LEU N . 30768 1 68 . 1 . 1 6 6 LEU H H 1 8.020 0.009 . 1 . . . . A 210 LEU H . 30768 1 69 . 1 . 1 6 6 LEU HA H 1 4.167 0.013 . 1 . . . . A 210 LEU HA . 30768 1 70 . 1 . 1 6 6 LEU HB2 H 1 1.586 0.014 . 1 . . . . A 210 LEU HB2 . 30768 1 71 . 1 . 1 6 6 LEU HB3 H 1 1.586 0.014 . 1 . . . . A 210 LEU HB3 . 30768 1 72 . 1 . 1 6 6 LEU HG H 1 1.617 0.002 . 1 . . . . A 210 LEU HG . 30768 1 73 . 1 . 1 6 6 LEU HD11 H 1 0.892 0.010 . 2 . . . . A 210 LEU HD11 . 30768 1 74 . 1 . 1 6 6 LEU HD12 H 1 0.892 0.010 . 2 . . . . A 210 LEU HD12 . 30768 1 75 . 1 . 1 6 6 LEU HD13 H 1 0.892 0.010 . 2 . . . . A 210 LEU HD13 . 30768 1 76 . 1 . 1 6 6 LEU HD21 H 1 0.841 0.019 . 2 . . . . A 210 LEU HD21 . 30768 1 77 . 1 . 1 6 6 LEU HD22 H 1 0.841 0.019 . 2 . . . . A 210 LEU HD22 . 30768 1 78 . 1 . 1 6 6 LEU HD23 H 1 0.841 0.019 . 2 . . . . A 210 LEU HD23 . 30768 1 79 . 1 . 1 6 6 LEU C C 13 178.322 0.018 . 1 . . . . A 210 LEU C . 30768 1 80 . 1 . 1 6 6 LEU CA C 13 56.680 0.068 . 1 . . . . A 210 LEU CA . 30768 1 81 . 1 . 1 6 6 LEU CB C 13 41.927 0.048 . 1 . . . . A 210 LEU CB . 30768 1 82 . 1 . 1 6 6 LEU CG C 13 27.169 0.056 . 1 . . . . A 210 LEU CG . 30768 1 83 . 1 . 1 6 6 LEU CD1 C 13 25.119 0.025 . 2 . . . . A 210 LEU CD1 . 30768 1 84 . 1 . 1 6 6 LEU CD2 C 13 23.695 0.005 . 2 . . . . A 210 LEU CD2 . 30768 1 85 . 1 . 1 6 6 LEU N N 15 121.066 0.220 . 1 . . . . A 210 LEU N . 30768 1 86 . 1 . 1 7 7 ALA H H 1 7.921 0.077 . 1 . . . . A 211 ALA H . 30768 1 87 . 1 . 1 7 7 ALA HA H 1 4.249 0.008 . 1 . . . . A 211 ALA HA . 30768 1 88 . 1 . 1 7 7 ALA HB1 H 1 1.456 0.004 . 1 . . . . A 211 ALA HB1 . 30768 1 89 . 1 . 1 7 7 ALA HB2 H 1 1.456 0.004 . 1 . . . . A 211 ALA HB2 . 30768 1 90 . 1 . 1 7 7 ALA HB3 H 1 1.456 0.004 . 1 . . . . A 211 ALA HB3 . 30768 1 91 . 1 . 1 7 7 ALA C C 13 179.584 0.009 . 1 . . . . A 211 ALA C . 30768 1 92 . 1 . 1 7 7 ALA CA C 13 53.834 0.058 . 1 . . . . A 211 ALA CA . 30768 1 93 . 1 . 1 7 7 ALA CB C 13 18.818 0.046 . 1 . . . . A 211 ALA CB . 30768 1 94 . 1 . 1 7 7 ALA N N 15 122.732 0.198 . 1 . . . . A 211 ALA N . 30768 1 95 . 1 . 1 8 8 GLU H H 1 8.327 0.009 . 1 . . . . A 212 GLU H . 30768 1 96 . 1 . 1 8 8 GLU HA H 1 4.184 0.006 . 1 . . . . A 212 GLU HA . 30768 1 97 . 1 . 1 8 8 GLU HB2 H 1 2.064 0.011 . 1 . . . . A 212 GLU HB2 . 30768 1 98 . 1 . 1 8 8 GLU HB3 H 1 2.064 0.011 . 1 . . . . A 212 GLU HB3 . 30768 1 99 . 1 . 1 8 8 GLU HG2 H 1 2.289 0.001 . 2 . . . . A 212 GLU HG2 . 30768 1 100 . 1 . 1 8 8 GLU HG3 H 1 2.371 0.004 . 2 . . . . A 212 GLU HG3 . 30768 1 101 . 1 . 1 8 8 GLU C C 13 177.992 0.014 . 1 . . . . A 212 GLU C . 30768 1 102 . 1 . 1 8 8 GLU CA C 13 58.288 0.065 . 1 . . . . A 212 GLU CA . 30768 1 103 . 1 . 1 8 8 GLU CB C 13 29.711 0.034 . 1 . . . . A 212 GLU CB . 30768 1 104 . 1 . 1 8 8 GLU CG C 13 36.310 0.032 . 1 . . . . A 212 GLU CG . 30768 1 105 . 1 . 1 8 8 GLU N N 15 119.405 0.098 . 1 . . . . A 212 GLU N . 30768 1 106 . 1 . 1 9 9 ASN H H 1 8.286 0.017 . 1 . . . . A 213 ASN H . 30768 1 107 . 1 . 1 9 9 ASN HA H 1 4.515 0.010 . 1 . . . . A 213 ASN HA . 30768 1 108 . 1 . 1 9 9 ASN HB2 H 1 2.827 0.006 . 2 . . . . A 213 ASN HB2 . 30768 1 109 . 1 . 1 9 9 ASN HB3 H 1 2.890 0.003 . 2 . . . . A 213 ASN HB3 . 30768 1 110 . 1 . 1 9 9 ASN HD21 H 1 7.643 0.008 . 1 . . . . A 213 ASN HD21 . 30768 1 111 . 1 . 1 9 9 ASN HD22 H 1 6.787 0.005 . 1 . . . . A 213 ASN HD22 . 30768 1 112 . 1 . 1 9 9 ASN C C 13 176.697 0.011 . 1 . . . . A 213 ASN C . 30768 1 113 . 1 . 1 9 9 ASN CA C 13 55.480 0.054 . 1 . . . . A 213 ASN CA . 30768 1 114 . 1 . 1 9 9 ASN CB C 13 38.723 0.069 . 1 . . . . A 213 ASN CB . 30768 1 115 . 1 . 1 9 9 ASN CG C 13 175.979 0.051 . 1 . . . . A 213 ASN CG . 30768 1 116 . 1 . 1 9 9 ASN N N 15 119.031 0.057 . 1 . . . . A 213 ASN N . 30768 1 117 . 1 . 1 9 9 ASN ND2 N 15 110.863 0.009 . 1 . . . . A 213 ASN ND2 . 30768 1 118 . 1 . 1 10 10 GLU H H 1 8.179 0.008 . 1 . . . . A 214 GLU H . 30768 1 119 . 1 . 1 10 10 GLU HA H 1 4.142 0.002 . 1 . . . . A 214 GLU HA . 30768 1 120 . 1 . 1 10 10 GLU HB2 H 1 2.092 0.003 . 1 . . . . A 214 GLU HB2 . 30768 1 121 . 1 . 1 10 10 GLU HB3 H 1 2.092 0.003 . 1 . . . . A 214 GLU HB3 . 30768 1 122 . 1 . 1 10 10 GLU HG2 H 1 2.254 0.008 . 2 . . . . A 214 GLU HG2 . 30768 1 123 . 1 . 1 10 10 GLU HG3 H 1 2.367 0.005 . 2 . . . . A 214 GLU HG3 . 30768 1 124 . 1 . 1 10 10 GLU C C 13 178.279 0.007 . 1 . . . . A 214 GLU C . 30768 1 125 . 1 . 1 10 10 GLU CA C 13 58.967 0.056 . 1 . . . . A 214 GLU CA . 30768 1 126 . 1 . 1 10 10 GLU CB C 13 29.715 0.034 . 1 . . . . A 214 GLU CB . 30768 1 127 . 1 . 1 10 10 GLU CG C 13 36.357 0.007 . 1 . . . . A 214 GLU CG . 30768 1 128 . 1 . 1 10 10 GLU N N 15 120.631 0.024 . 1 . . . . A 214 GLU N . 30768 1 129 . 1 . 1 11 11 SER H H 1 8.074 0.031 . 1 . . . . A 215 SER H . 30768 1 130 . 1 . 1 11 11 SER HA H 1 4.336 0.005 . 1 . . . . A 215 SER HA . 30768 1 131 . 1 . 1 11 11 SER HB2 H 1 4.010 0.003 . 2 . . . . A 215 SER HB2 . 30768 1 132 . 1 . 1 11 11 SER HB3 H 1 4.078 0.005 . 2 . . . . A 215 SER HB3 . 30768 1 133 . 1 . 1 11 11 SER C C 13 176.911 0.000 . 1 . . . . A 215 SER C . 30768 1 134 . 1 . 1 11 11 SER CA C 13 60.524 0.035 . 1 . . . . A 215 SER CA . 30768 1 135 . 1 . 1 11 11 SER CB C 13 63.335 0.071 . 1 . . . . A 215 SER CB . 30768 1 136 . 1 . 1 11 11 SER N N 15 115.475 0.087 . 1 . . . . A 215 SER N . 30768 1 137 . 1 . 1 12 12 LEU H H 1 8.209 0.009 . 1 . . . . A 216 LEU H . 30768 1 138 . 1 . 1 12 12 LEU HA H 1 4.041 0.010 . 1 . . . . A 216 LEU HA . 30768 1 139 . 1 . 1 12 12 LEU HB2 H 1 1.923 0.017 . 2 . . . . A 216 LEU HB2 . 30768 1 140 . 1 . 1 12 12 LEU HB3 H 1 1.404 0.010 . 2 . . . . A 216 LEU HB3 . 30768 1 141 . 1 . 1 12 12 LEU HG H 1 1.831 0.007 . 1 . . . . A 216 LEU HG . 30768 1 142 . 1 . 1 12 12 LEU HD11 H 1 0.823 0.006 . 2 . . . . A 216 LEU HD11 . 30768 1 143 . 1 . 1 12 12 LEU HD12 H 1 0.823 0.006 . 2 . . . . A 216 LEU HD12 . 30768 1 144 . 1 . 1 12 12 LEU HD13 H 1 0.823 0.006 . 2 . . . . A 216 LEU HD13 . 30768 1 145 . 1 . 1 12 12 LEU HD21 H 1 0.893 0.005 . 2 . . . . A 216 LEU HD21 . 30768 1 146 . 1 . 1 12 12 LEU HD22 H 1 0.893 0.005 . 2 . . . . A 216 LEU HD22 . 30768 1 147 . 1 . 1 12 12 LEU HD23 H 1 0.893 0.005 . 2 . . . . A 216 LEU HD23 . 30768 1 148 . 1 . 1 12 12 LEU C C 13 178.861 0.029 . 1 . . . . A 216 LEU C . 30768 1 149 . 1 . 1 12 12 LEU CA C 13 58.250 0.071 . 1 . . . . A 216 LEU CA . 30768 1 150 . 1 . 1 12 12 LEU CB C 13 41.710 0.038 . 1 . . . . A 216 LEU CB . 30768 1 151 . 1 . 1 12 12 LEU CG C 13 26.980 0.055 . 1 . . . . A 216 LEU CG . 30768 1 152 . 1 . 1 12 12 LEU CD1 C 13 23.859 0.052 . 2 . . . . A 216 LEU CD1 . 30768 1 153 . 1 . 1 12 12 LEU CD2 C 13 25.602 0.068 . 2 . . . . A 216 LEU CD2 . 30768 1 154 . 1 . 1 12 12 LEU N N 15 122.021 0.022 . 1 . . . . A 216 LEU N . 30768 1 155 . 1 . 1 13 13 GLN H H 1 8.353 0.020 . 1 . . . . A 217 GLN H . 30768 1 156 . 1 . 1 13 13 GLN HA H 1 3.862 0.008 . 1 . . . . A 217 GLN HA . 30768 1 157 . 1 . 1 13 13 GLN HB2 H 1 2.155 0.002 . 2 . . . . A 217 GLN HB2 . 30768 1 158 . 1 . 1 13 13 GLN HB3 H 1 2.191 0.002 . 2 . . . . A 217 GLN HB3 . 30768 1 159 . 1 . 1 13 13 GLN HG2 H 1 2.397 0.007 . 1 . . . . A 217 GLN HG2 . 30768 1 160 . 1 . 1 13 13 GLN HG3 H 1 2.397 0.007 . 1 . . . . A 217 GLN HG3 . 30768 1 161 . 1 . 1 13 13 GLN HE21 H 1 6.690 0.011 . 1 . . . . A 217 GLN HE21 . 30768 1 162 . 1 . 1 13 13 GLN HE22 H 1 7.403 0.003 . 1 . . . . A 217 GLN HE22 . 30768 1 163 . 1 . 1 13 13 GLN C C 13 178.601 0.032 . 1 . . . . A 217 GLN C . 30768 1 164 . 1 . 1 13 13 GLN CA C 13 59.582 0.030 . 1 . . . . A 217 GLN CA . 30768 1 165 . 1 . 1 13 13 GLN CB C 13 28.331 0.030 . 1 . . . . A 217 GLN CB . 30768 1 166 . 1 . 1 13 13 GLN CG C 13 34.114 0.022 . 1 . . . . A 217 GLN CG . 30768 1 167 . 1 . 1 13 13 GLN CD C 13 179.717 0.025 . 1 . . . . A 217 GLN CD . 30768 1 168 . 1 . 1 13 13 GLN N N 15 117.651 0.106 . 1 . . . . A 217 GLN N . 30768 1 169 . 1 . 1 13 13 GLN NE2 N 15 111.391 0.003 . 1 . . . . A 217 GLN NE2 . 30768 1 170 . 1 . 1 14 14 GLN H H 1 7.953 0.020 . 1 . . . . A 218 GLN H . 30768 1 171 . 1 . 1 14 14 GLN HA H 1 4.121 0.008 . 1 . . . . A 218 GLN HA . 30768 1 172 . 1 . 1 14 14 GLN HB2 H 1 2.238 0.002 . 1 . . . . A 218 GLN HB2 . 30768 1 173 . 1 . 1 14 14 GLN HB3 H 1 2.237 0.002 . 1 . . . . A 218 GLN HB3 . 30768 1 174 . 1 . 1 14 14 GLN HG2 H 1 2.481 0.001 . 2 . . . . A 218 GLN HG2 . 30768 1 175 . 1 . 1 14 14 GLN HG3 H 1 2.569 0.003 . 2 . . . . A 218 GLN HG3 . 30768 1 176 . 1 . 1 14 14 GLN HE21 H 1 7.474 0.002 . 1 . . . . A 218 GLN HE21 . 30768 1 177 . 1 . 1 14 14 GLN HE22 H 1 6.806 0.004 . 1 . . . . A 218 GLN HE22 . 30768 1 178 . 1 . 1 14 14 GLN C C 13 179.205 0.009 . 1 . . . . A 218 GLN C . 30768 1 179 . 1 . 1 14 14 GLN CA C 13 59.159 0.048 . 1 . . . . A 218 GLN CA . 30768 1 180 . 1 . 1 14 14 GLN CB C 13 28.189 0.028 . 1 . . . . A 218 GLN CB . 30768 1 181 . 1 . 1 14 14 GLN CG C 13 33.947 0.036 . 1 . . . . A 218 GLN CG . 30768 1 182 . 1 . 1 14 14 GLN CD C 13 180.269 0.000 . 1 . . . . A 218 GLN CD . 30768 1 183 . 1 . 1 14 14 GLN N N 15 118.593 0.028 . 1 . . . . A 218 GLN N . 30768 1 184 . 1 . 1 14 14 GLN NE2 N 15 111.848 0.005 . 1 . . . . A 218 GLN NE2 . 30768 1 185 . 1 . 1 15 15 LYS H H 1 8.006 0.013 . 1 . . . . A 219 LYS H . 30768 1 186 . 1 . 1 15 15 LYS HA H 1 4.130 0.007 . 1 . . . . A 219 LYS HA . 30768 1 187 . 1 . 1 15 15 LYS HB2 H 1 1.812 0.004 . 2 . . . . A 219 LYS HB2 . 30768 1 188 . 1 . 1 15 15 LYS HB3 H 1 2.055 0.010 . 2 . . . . A 219 LYS HB3 . 30768 1 189 . 1 . 1 15 15 LYS HG2 H 1 1.539 0.002 . 2 . . . . A 219 LYS HG2 . 30768 1 190 . 1 . 1 15 15 LYS HG3 H 1 1.675 0.020 . 2 . . . . A 219 LYS HG3 . 30768 1 191 . 1 . 1 15 15 LYS HD2 H 1 1.619 0.001 . 1 . . . . A 219 LYS HD2 . 30768 1 192 . 1 . 1 15 15 LYS HD3 H 1 1.619 0.001 . 1 . . . . A 219 LYS HD3 . 30768 1 193 . 1 . 1 15 15 LYS HE2 H 1 2.957 0.005 . 1 . . . . A 219 LYS HE2 . 30768 1 194 . 1 . 1 15 15 LYS HE3 H 1 2.957 0.005 . 1 . . . . A 219 LYS HE3 . 30768 1 195 . 1 . 1 15 15 LYS C C 13 179.822 0.017 . 1 . . . . A 219 LYS C . 30768 1 196 . 1 . 1 15 15 LYS CA C 13 59.431 0.018 . 1 . . . . A 219 LYS CA . 30768 1 197 . 1 . 1 15 15 LYS CB C 13 32.828 0.059 . 1 . . . . A 219 LYS CB . 30768 1 198 . 1 . 1 15 15 LYS CG C 13 25.589 0.039 . 1 . . . . A 219 LYS CG . 30768 1 199 . 1 . 1 15 15 LYS CD C 13 29.326 0.032 . 1 . . . . A 219 LYS CD . 30768 1 200 . 1 . 1 15 15 LYS CE C 13 41.965 0.016 . 1 . . . . A 219 LYS CE . 30768 1 201 . 1 . 1 15 15 LYS N N 15 120.462 0.016 . 1 . . . . A 219 LYS N . 30768 1 202 . 1 . 1 16 16 ILE H H 1 8.323 0.008 . 1 . . . . A 220 ILE H . 30768 1 203 . 1 . 1 16 16 ILE HA H 1 3.648 0.006 . 1 . . . . A 220 ILE HA . 30768 1 204 . 1 . 1 16 16 ILE HB H 1 1.953 0.009 . 1 . . . . A 220 ILE HB . 30768 1 205 . 1 . 1 16 16 ILE HG12 H 1 0.972 0.004 . 2 . . . . A 220 ILE HG12 . 30768 1 206 . 1 . 1 16 16 ILE HG13 H 1 1.727 0.006 . 2 . . . . A 220 ILE HG13 . 30768 1 207 . 1 . 1 16 16 ILE HG21 H 1 0.897 0.003 . 1 . . . . A 220 ILE HG21 . 30768 1 208 . 1 . 1 16 16 ILE HG22 H 1 0.897 0.003 . 1 . . . . A 220 ILE HG22 . 30768 1 209 . 1 . 1 16 16 ILE HG23 H 1 0.897 0.003 . 1 . . . . A 220 ILE HG23 . 30768 1 210 . 1 . 1 16 16 ILE HD11 H 1 0.817 0.005 . 1 . . . . A 220 ILE HD11 . 30768 1 211 . 1 . 1 16 16 ILE HD12 H 1 0.817 0.005 . 1 . . . . A 220 ILE HD12 . 30768 1 212 . 1 . 1 16 16 ILE HD13 H 1 0.817 0.005 . 1 . . . . A 220 ILE HD13 . 30768 1 213 . 1 . 1 16 16 ILE C C 13 177.288 0.007 . 1 . . . . A 220 ILE C . 30768 1 214 . 1 . 1 16 16 ILE CA C 13 64.986 0.049 . 1 . . . . A 220 ILE CA . 30768 1 215 . 1 . 1 16 16 ILE CB C 13 37.487 0.038 . 1 . . . . A 220 ILE CB . 30768 1 216 . 1 . 1 16 16 ILE CG1 C 13 29.974 0.069 . 1 . . . . A 220 ILE CG1 . 30768 1 217 . 1 . 1 16 16 ILE CG2 C 13 18.034 0.034 . 1 . . . . A 220 ILE CG2 . 30768 1 218 . 1 . 1 16 16 ILE CD1 C 13 14.479 0.042 . 1 . . . . A 220 ILE CD1 . 30768 1 219 . 1 . 1 16 16 ILE N N 15 120.201 0.012 . 1 . . . . A 220 ILE N . 30768 1 220 . 1 . 1 17 17 ASN H H 1 8.294 0.004 . 1 . . . . A 221 ASN H . 30768 1 221 . 1 . 1 17 17 ASN HA H 1 4.537 0.005 . 1 . . . . A 221 ASN HA . 30768 1 222 . 1 . 1 17 17 ASN HB2 H 1 2.910 0.013 . 2 . . . . A 221 ASN HB2 . 30768 1 223 . 1 . 1 17 17 ASN HB3 H 1 2.954 0.004 . 2 . . . . A 221 ASN HB3 . 30768 1 224 . 1 . 1 17 17 ASN HD21 H 1 6.884 0.004 . 1 . . . . A 221 ASN HD21 . 30768 1 225 . 1 . 1 17 17 ASN HD22 H 1 7.591 0.003 . 1 . . . . A 221 ASN HD22 . 30768 1 226 . 1 . 1 17 17 ASN C C 13 178.130 0.011 . 1 . . . . A 221 ASN C . 30768 1 227 . 1 . 1 17 17 ASN CA C 13 56.657 0.037 . 1 . . . . A 221 ASN CA . 30768 1 228 . 1 . 1 17 17 ASN CB C 13 38.240 0.051 . 1 . . . . A 221 ASN CB . 30768 1 229 . 1 . 1 17 17 ASN CG C 13 176.042 0.001 . 1 . . . . A 221 ASN CG . 30768 1 230 . 1 . 1 17 17 ASN N N 15 119.422 0.178 . 1 . . . . A 221 ASN N . 30768 1 231 . 1 . 1 17 17 ASN ND2 N 15 111.127 0.005 . 1 . . . . A 221 ASN ND2 . 30768 1 232 . 1 . 1 18 18 SER H H 1 8.108 0.031 . 1 . . . . A 222 SER H . 30768 1 233 . 1 . 1 18 18 SER HA H 1 4.263 0.007 . 1 . . . . A 222 SER HA . 30768 1 234 . 1 . 1 18 18 SER HB2 H 1 4.069 0.006 . 2 . . . . A 222 SER HB2 . 30768 1 235 . 1 . 1 18 18 SER HB3 H 1 4.044 0.007 . 2 . . . . A 222 SER HB3 . 30768 1 236 . 1 . 1 18 18 SER C C 13 177.278 0.008 . 1 . . . . A 222 SER C . 30768 1 237 . 1 . 1 18 18 SER CA C 13 62.092 0.054 . 1 . . . . A 222 SER CA . 30768 1 238 . 1 . 1 18 18 SER CB C 13 62.904 0.067 . 1 . . . . A 222 SER CB . 30768 1 239 . 1 . 1 18 18 SER N N 15 114.613 0.072 . 1 . . . . A 222 SER N . 30768 1 240 . 1 . 1 19 19 LEU H H 1 7.987 0.005 . 1 . . . . A 223 LEU H . 30768 1 241 . 1 . 1 19 19 LEU HA H 1 4.151 0.006 . 1 . . . . A 223 LEU HA . 30768 1 242 . 1 . 1 19 19 LEU HB2 H 1 2.122 0.005 . 2 . . . . A 223 LEU HB2 . 30768 1 243 . 1 . 1 19 19 LEU HB3 H 1 1.421 0.015 . 2 . . . . A 223 LEU HB3 . 30768 1 244 . 1 . 1 19 19 LEU HG H 1 1.888 0.006 . 1 . . . . A 223 LEU HG . 30768 1 245 . 1 . 1 19 19 LEU HD11 H 1 0.838 0.005 . 2 . . . . A 223 LEU HD11 . 30768 1 246 . 1 . 1 19 19 LEU HD12 H 1 0.838 0.005 . 2 . . . . A 223 LEU HD12 . 30768 1 247 . 1 . 1 19 19 LEU HD13 H 1 0.838 0.005 . 2 . . . . A 223 LEU HD13 . 30768 1 248 . 1 . 1 19 19 LEU HD21 H 1 0.904 0.005 . 2 . . . . A 223 LEU HD21 . 30768 1 249 . 1 . 1 19 19 LEU HD22 H 1 0.904 0.005 . 2 . . . . A 223 LEU HD22 . 30768 1 250 . 1 . 1 19 19 LEU HD23 H 1 0.904 0.005 . 2 . . . . A 223 LEU HD23 . 30768 1 251 . 1 . 1 19 19 LEU C C 13 178.912 0.004 . 1 . . . . A 223 LEU C . 30768 1 252 . 1 . 1 19 19 LEU CA C 13 58.049 0.061 . 1 . . . . A 223 LEU CA . 30768 1 253 . 1 . 1 19 19 LEU CB C 13 42.899 0.045 . 1 . . . . A 223 LEU CB . 30768 1 254 . 1 . 1 19 19 LEU CG C 13 27.336 0.062 . 1 . . . . A 223 LEU CG . 30768 1 255 . 1 . 1 19 19 LEU CD1 C 13 23.375 0.053 . 2 . . . . A 223 LEU CD1 . 30768 1 256 . 1 . 1 19 19 LEU CD2 C 13 26.487 0.056 . 2 . . . . A 223 LEU CD2 . 30768 1 257 . 1 . 1 19 19 LEU N N 15 123.703 0.018 . 1 . . . . A 223 LEU N . 30768 1 258 . 1 . 1 20 20 GLU H H 1 8.547 0.022 . 1 . . . . A 224 GLU H . 30768 1 259 . 1 . 1 20 20 GLU HA H 1 4.005 0.006 . 1 . . . . A 224 GLU HA . 30768 1 260 . 1 . 1 20 20 GLU HB2 H 1 2.098 0.011 . 2 . . . . A 224 GLU HB2 . 30768 1 261 . 1 . 1 20 20 GLU HB3 H 1 2.383 0.004 . 2 . . . . A 224 GLU HB3 . 30768 1 262 . 1 . 1 20 20 GLU HG2 H 1 2.203 0.005 . 2 . . . . A 224 GLU HG2 . 30768 1 263 . 1 . 1 20 20 GLU HG3 H 1 2.577 0.004 . 2 . . . . A 224 GLU HG3 . 30768 1 264 . 1 . 1 20 20 GLU C C 13 179.775 0.008 . 1 . . . . A 224 GLU C . 30768 1 265 . 1 . 1 20 20 GLU CA C 13 60.194 0.045 . 1 . . . . A 224 GLU CA . 30768 1 266 . 1 . 1 20 20 GLU CB C 13 29.775 0.022 . 1 . . . . A 224 GLU CB . 30768 1 267 . 1 . 1 20 20 GLU CG C 13 37.043 0.039 . 1 . . . . A 224 GLU CG . 30768 1 268 . 1 . 1 20 20 GLU N N 15 120.547 0.041 . 1 . . . . A 224 GLU N . 30768 1 269 . 1 . 1 21 21 VAL H H 1 7.856 0.018 . 1 . . . . A 225 VAL H . 30768 1 270 . 1 . 1 21 21 VAL HA H 1 3.665 0.003 . 1 . . . . A 225 VAL HA . 30768 1 271 . 1 . 1 21 21 VAL HB H 1 2.284 0.002 . 1 . . . . A 225 VAL HB . 30768 1 272 . 1 . 1 21 21 VAL HG11 H 1 0.996 0.003 . 2 . . . . A 225 VAL HG11 . 30768 1 273 . 1 . 1 21 21 VAL HG12 H 1 0.996 0.003 . 2 . . . . A 225 VAL HG12 . 30768 1 274 . 1 . 1 21 21 VAL HG13 H 1 0.996 0.003 . 2 . . . . A 225 VAL HG13 . 30768 1 275 . 1 . 1 21 21 VAL HG21 H 1 1.135 0.002 . 2 . . . . A 225 VAL HG21 . 30768 1 276 . 1 . 1 21 21 VAL HG22 H 1 1.135 0.002 . 2 . . . . A 225 VAL HG22 . 30768 1 277 . 1 . 1 21 21 VAL HG23 H 1 1.135 0.002 . 2 . . . . A 225 VAL HG23 . 30768 1 278 . 1 . 1 21 21 VAL C C 13 179.212 0.002 . 1 . . . . A 225 VAL C . 30768 1 279 . 1 . 1 21 21 VAL CA C 13 66.740 0.039 . 1 . . . . A 225 VAL CA . 30768 1 280 . 1 . 1 21 21 VAL CB C 13 31.864 0.032 . 1 . . . . A 225 VAL CB . 30768 1 281 . 1 . 1 21 21 VAL CG1 C 13 21.226 0.042 . 2 . . . . A 225 VAL CG1 . 30768 1 282 . 1 . 1 21 21 VAL CG2 C 13 22.756 0.015 . 2 . . . . A 225 VAL CG2 . 30768 1 283 . 1 . 1 21 21 VAL N N 15 120.131 0.018 . 1 . . . . A 225 VAL N . 30768 1 284 . 1 . 1 22 22 GLU H H 1 8.057 0.006 . 1 . . . . A 226 GLU H . 30768 1 285 . 1 . 1 22 22 GLU HA H 1 4.350 0.008 . 1 . . . . A 226 GLU HA . 30768 1 286 . 1 . 1 22 22 GLU HB2 H 1 2.062 0.001 . 2 . . . . A 226 GLU HB2 . 30768 1 287 . 1 . 1 22 22 GLU HB3 H 1 2.193 0.011 . 2 . . . . A 226 GLU HB3 . 30768 1 288 . 1 . 1 22 22 GLU HG2 H 1 2.299 0.005 . 2 . . . . A 226 GLU HG2 . 30768 1 289 . 1 . 1 22 22 GLU HG3 H 1 2.406 0.012 . 2 . . . . A 226 GLU HG3 . 30768 1 290 . 1 . 1 22 22 GLU C C 13 178.694 0.012 . 1 . . . . A 226 GLU C . 30768 1 291 . 1 . 1 22 22 GLU CA C 13 58.684 0.029 . 1 . . . . A 226 GLU CA . 30768 1 292 . 1 . 1 22 22 GLU CB C 13 28.942 0.048 . 1 . . . . A 226 GLU CB . 30768 1 293 . 1 . 1 22 22 GLU CG C 13 34.587 0.050 . 1 . . . . A 226 GLU CG . 30768 1 294 . 1 . 1 22 22 GLU N N 15 121.473 0.039 . 1 . . . . A 226 GLU N . 30768 1 295 . 1 . 1 23 23 ALA H H 1 8.786 0.017 . 1 . . . . A 227 ALA H . 30768 1 296 . 1 . 1 23 23 ALA HA H 1 4.024 0.006 . 1 . . . . A 227 ALA HA . 30768 1 297 . 1 . 1 23 23 ALA HB1 H 1 1.476 0.004 . 1 . . . . A 227 ALA HB1 . 30768 1 298 . 1 . 1 23 23 ALA HB2 H 1 1.476 0.004 . 1 . . . . A 227 ALA HB2 . 30768 1 299 . 1 . 1 23 23 ALA HB3 H 1 1.476 0.004 . 1 . . . . A 227 ALA HB3 . 30768 1 300 . 1 . 1 23 23 ALA C C 13 180.213 0.007 . 1 . . . . A 227 ALA C . 30768 1 301 . 1 . 1 23 23 ALA CA C 13 55.810 0.069 . 1 . . . . A 227 ALA CA . 30768 1 302 . 1 . 1 23 23 ALA CB C 13 17.001 0.036 . 1 . . . . A 227 ALA CB . 30768 1 303 . 1 . 1 23 23 ALA N N 15 121.873 0.036 . 1 . . . . A 227 ALA N . 30768 1 304 . 1 . 1 24 24 LYS H H 1 7.712 0.005 . 1 . . . . A 228 LYS H . 30768 1 305 . 1 . 1 24 24 LYS HA H 1 4.135 0.008 . 1 . . . . A 228 LYS HA . 30768 1 306 . 1 . 1 24 24 LYS HB2 H 1 2.016 0.008 . 2 . . . . A 228 LYS HB2 . 30768 1 307 . 1 . 1 24 24 LYS HB3 H 1 1.981 0.010 . 2 . . . . A 228 LYS HB3 . 30768 1 308 . 1 . 1 24 24 LYS HG2 H 1 1.527 0.005 . 2 . . . . A 228 LYS HG2 . 30768 1 309 . 1 . 1 24 24 LYS HG3 H 1 1.649 0.002 . 2 . . . . A 228 LYS HG3 . 30768 1 310 . 1 . 1 24 24 LYS HD2 H 1 1.705 0.005 . 1 . . . . A 228 LYS HD2 . 30768 1 311 . 1 . 1 24 24 LYS HD3 H 1 1.705 0.005 . 1 . . . . A 228 LYS HD3 . 30768 1 312 . 1 . 1 24 24 LYS HE2 H 1 2.995 0.004 . 1 . . . . A 228 LYS HE2 . 30768 1 313 . 1 . 1 24 24 LYS HE3 H 1 2.995 0.004 . 1 . . . . A 228 LYS HE3 . 30768 1 314 . 1 . 1 24 24 LYS C C 13 179.996 0.007 . 1 . . . . A 228 LYS C . 30768 1 315 . 1 . 1 24 24 LYS CA C 13 59.265 0.044 . 1 . . . . A 228 LYS CA . 30768 1 316 . 1 . 1 24 24 LYS CB C 13 32.064 0.042 . 1 . . . . A 228 LYS CB . 30768 1 317 . 1 . 1 24 24 LYS CG C 13 25.240 0.003 . 1 . . . . A 228 LYS CG . 30768 1 318 . 1 . 1 24 24 LYS CD C 13 28.987 0.039 . 1 . . . . A 228 LYS CD . 30768 1 319 . 1 . 1 24 24 LYS CE C 13 42.178 0.002 . 1 . . . . A 228 LYS CE . 30768 1 320 . 1 . 1 24 24 LYS N N 15 118.075 0.029 . 1 . . . . A 228 LYS N . 30768 1 321 . 1 . 1 25 25 ARG H H 1 8.081 0.007 . 1 . . . . A 229 ARG H . 30768 1 322 . 1 . 1 25 25 ARG HA H 1 4.113 0.006 . 1 . . . . A 229 ARG HA . 30768 1 323 . 1 . 1 25 25 ARG HB2 H 1 1.997 0.002 . 2 . . . . A 229 ARG HB2 . 30768 1 324 . 1 . 1 25 25 ARG HB3 H 1 2.092 0.006 . 2 . . . . A 229 ARG HB3 . 30768 1 325 . 1 . 1 25 25 ARG HG2 H 1 1.587 0.004 . 2 . . . . A 229 ARG HG2 . 30768 1 326 . 1 . 1 25 25 ARG HG3 H 1 1.780 0.008 . 2 . . . . A 229 ARG HG3 . 30768 1 327 . 1 . 1 25 25 ARG HD2 H 1 3.153 0.003 . 2 . . . . A 229 ARG HD2 . 30768 1 328 . 1 . 1 25 25 ARG HD3 H 1 3.304 0.004 . 2 . . . . A 229 ARG HD3 . 30768 1 329 . 1 . 1 25 25 ARG HE H 1 7.765 0.004 . 1 . . . . A 229 ARG HE . 30768 1 330 . 1 . 1 25 25 ARG C C 13 180.226 0.004 . 1 . . . . A 229 ARG C . 30768 1 331 . 1 . 1 25 25 ARG CA C 13 59.713 0.021 . 1 . . . . A 229 ARG CA . 30768 1 332 . 1 . 1 25 25 ARG CB C 13 30.013 0.055 . 1 . . . . A 229 ARG CB . 30768 1 333 . 1 . 1 25 25 ARG CG C 13 27.565 0.028 . 1 . . . . A 229 ARG CG . 30768 1 334 . 1 . 1 25 25 ARG CD C 13 43.191 0.064 . 1 . . . . A 229 ARG CD . 30768 1 335 . 1 . 1 25 25 ARG CZ C 13 159.786 0.000 . 1 . . . . A 229 ARG CZ . 30768 1 336 . 1 . 1 25 25 ARG N N 15 123.174 0.098 . 1 . . . . A 229 ARG N . 30768 1 337 . 1 . 1 25 25 ARG NE N 15 83.989 0.029 . 1 . . . . A 229 ARG NE . 30768 1 338 . 1 . 1 26 26 LEU H H 1 8.662 0.008 . 1 . . . . A 230 LEU H . 30768 1 339 . 1 . 1 26 26 LEU HA H 1 4.115 0.009 . 1 . . . . A 230 LEU HA . 30768 1 340 . 1 . 1 26 26 LEU HB2 H 1 1.721 0.015 . 2 . . . . A 230 LEU HB2 . 30768 1 341 . 1 . 1 26 26 LEU HB3 H 1 2.133 0.007 . 2 . . . . A 230 LEU HB3 . 30768 1 342 . 1 . 1 26 26 LEU HG H 1 1.996 0.004 . 1 . . . . A 230 LEU HG . 30768 1 343 . 1 . 1 26 26 LEU HD11 H 1 0.890 0.009 . 2 . . . . A 230 LEU HD11 . 30768 1 344 . 1 . 1 26 26 LEU HD12 H 1 0.890 0.009 . 2 . . . . A 230 LEU HD12 . 30768 1 345 . 1 . 1 26 26 LEU HD13 H 1 0.890 0.009 . 2 . . . . A 230 LEU HD13 . 30768 1 346 . 1 . 1 26 26 LEU HD21 H 1 0.974 0.005 . 2 . . . . A 230 LEU HD21 . 30768 1 347 . 1 . 1 26 26 LEU HD22 H 1 0.974 0.005 . 2 . . . . A 230 LEU HD22 . 30768 1 348 . 1 . 1 26 26 LEU HD23 H 1 0.974 0.005 . 2 . . . . A 230 LEU HD23 . 30768 1 349 . 1 . 1 26 26 LEU C C 13 179.978 0.007 . 1 . . . . A 230 LEU C . 30768 1 350 . 1 . 1 26 26 LEU CA C 13 58.203 0.054 . 1 . . . . A 230 LEU CA . 30768 1 351 . 1 . 1 26 26 LEU CB C 13 41.332 0.034 . 1 . . . . A 230 LEU CB . 30768 1 352 . 1 . 1 26 26 LEU CG C 13 27.175 0.008 . 1 . . . . A 230 LEU CG . 30768 1 353 . 1 . 1 26 26 LEU CD1 C 13 23.107 0.049 . 2 . . . . A 230 LEU CD1 . 30768 1 354 . 1 . 1 26 26 LEU CD2 C 13 26.082 0.028 . 2 . . . . A 230 LEU CD2 . 30768 1 355 . 1 . 1 26 26 LEU N N 15 121.802 0.053 . 1 . . . . A 230 LEU N . 30768 1 356 . 1 . 1 27 27 GLN H H 1 8.304 0.007 . 1 . . . . A 231 GLN H . 30768 1 357 . 1 . 1 27 27 GLN HA H 1 4.012 0.006 . 1 . . . . A 231 GLN HA . 30768 1 358 . 1 . 1 27 27 GLN HB2 H 1 2.127 0.003 . 2 . . . . A 231 GLN HB2 . 30768 1 359 . 1 . 1 27 27 GLN HB3 H 1 2.298 0.003 . 2 . . . . A 231 GLN HB3 . 30768 1 360 . 1 . 1 27 27 GLN HG2 H 1 2.456 0.005 . 2 . . . . A 231 GLN HG2 . 30768 1 361 . 1 . 1 27 27 GLN HG3 H 1 2.478 0.004 . 2 . . . . A 231 GLN HG3 . 30768 1 362 . 1 . 1 27 27 GLN HE21 H 1 6.715 0.003 . 1 . . . . A 231 GLN HE21 . 30768 1 363 . 1 . 1 27 27 GLN HE22 H 1 7.628 0.023 . 1 . . . . A 231 GLN HE22 . 30768 1 364 . 1 . 1 27 27 GLN C C 13 179.017 0.004 . 1 . . . . A 231 GLN C . 30768 1 365 . 1 . 1 27 27 GLN CA C 13 58.973 0.012 . 1 . . . . A 231 GLN CA . 30768 1 366 . 1 . 1 27 27 GLN CB C 13 27.769 0.037 . 1 . . . . A 231 GLN CB . 30768 1 367 . 1 . 1 27 27 GLN CG C 13 33.401 0.045 . 1 . . . . A 231 GLN CG . 30768 1 368 . 1 . 1 27 27 GLN CD C 13 179.963 0.000 . 1 . . . . A 231 GLN CD . 30768 1 369 . 1 . 1 27 27 GLN N N 15 120.604 0.033 . 1 . . . . A 231 GLN N . 30768 1 370 . 1 . 1 27 27 GLN NE2 N 15 111.437 0.003 . 1 . . . . A 231 GLN NE2 . 30768 1 371 . 1 . 1 28 28 GLY H H 1 8.129 0.006 . 1 . . . . A 232 GLY H . 30768 1 372 . 1 . 1 28 28 GLY HA2 H 1 3.941 0.005 . 2 . . . . A 232 GLY HA2 . 30768 1 373 . 1 . 1 28 28 GLY HA3 H 1 3.995 0.007 . 2 . . . . A 232 GLY HA3 . 30768 1 374 . 1 . 1 28 28 GLY C C 13 177.134 0.011 . 1 . . . . A 232 GLY C . 30768 1 375 . 1 . 1 28 28 GLY CA C 13 47.183 0.044 . 1 . . . . A 232 GLY CA . 30768 1 376 . 1 . 1 28 28 GLY N N 15 107.099 0.023 . 1 . . . . A 232 GLY N . 30768 1 377 . 1 . 1 29 29 PHE H H 1 8.195 0.006 . 1 . . . . A 233 PHE H . 30768 1 378 . 1 . 1 29 29 PHE HA H 1 4.467 0.006 . 1 . . . . A 233 PHE HA . 30768 1 379 . 1 . 1 29 29 PHE HB2 H 1 3.339 0.008 . 2 . . . . A 233 PHE HB2 . 30768 1 380 . 1 . 1 29 29 PHE HB3 H 1 3.245 0.008 . 2 . . . . A 233 PHE HB3 . 30768 1 381 . 1 . 1 29 29 PHE HD1 H 1 7.344 0.006 . 1 . . . . A 233 PHE HD1 . 30768 1 382 . 1 . 1 29 29 PHE HD2 H 1 7.344 0.006 . 1 . . . . A 233 PHE HD2 . 30768 1 383 . 1 . 1 29 29 PHE HE1 H 1 7.335 0.006 . 1 . . . . A 233 PHE HE1 . 30768 1 384 . 1 . 1 29 29 PHE HE2 H 1 7.335 0.006 . 1 . . . . A 233 PHE HE2 . 30768 1 385 . 1 . 1 29 29 PHE HZ H 1 7.231 0.004 . 1 . . . . A 233 PHE HZ . 30768 1 386 . 1 . 1 29 29 PHE C C 13 177.345 0.002 . 1 . . . . A 233 PHE C . 30768 1 387 . 1 . 1 29 29 PHE CA C 13 61.498 0.050 . 1 . . . . A 233 PHE CA . 30768 1 388 . 1 . 1 29 29 PHE CB C 13 38.709 0.045 . 1 . . . . A 233 PHE CB . 30768 1 389 . 1 . 1 29 29 PHE CD1 C 13 132.621 0.043 . 1 . . . . A 233 PHE CD1 . 30768 1 390 . 1 . 1 29 29 PHE CD2 C 13 132.621 0.043 . 1 . . . . A 233 PHE CD2 . 30768 1 391 . 1 . 1 29 29 PHE CE1 C 13 131.388 0.029 . 1 . . . . A 233 PHE CE1 . 30768 1 392 . 1 . 1 29 29 PHE CE2 C 13 131.388 0.029 . 1 . . . . A 233 PHE CE2 . 30768 1 393 . 1 . 1 29 29 PHE CZ C 13 129.356 0.050 . 1 . . . . A 233 PHE CZ . 30768 1 394 . 1 . 1 29 29 PHE N N 15 124.390 0.055 . 1 . . . . A 233 PHE N . 30768 1 395 . 1 . 1 30 30 ASN H H 1 7.947 0.010 . 1 . . . . A 234 ASN H . 30768 1 396 . 1 . 1 30 30 ASN HA H 1 4.465 0.007 . 1 . . . . A 234 ASN HA . 30768 1 397 . 1 . 1 30 30 ASN HB2 H 1 1.953 0.007 . 2 . . . . A 234 ASN HB2 . 30768 1 398 . 1 . 1 30 30 ASN HB3 H 1 2.810 0.007 . 2 . . . . A 234 ASN HB3 . 30768 1 399 . 1 . 1 30 30 ASN C C 13 177.670 0.021 . 1 . . . . A 234 ASN C . 30768 1 400 . 1 . 1 30 30 ASN CA C 13 55.969 0.015 . 1 . . . . A 234 ASN CA . 30768 1 401 . 1 . 1 30 30 ASN CB C 13 37.532 0.041 . 1 . . . . A 234 ASN CB . 30768 1 402 . 1 . 1 30 30 ASN N N 15 119.076 0.087 . 1 . . . . A 234 ASN N . 30768 1 403 . 1 . 1 31 31 GLU H H 1 7.714 0.008 . 1 . . . . A 235 GLU H . 30768 1 404 . 1 . 1 31 31 GLU HA H 1 4.011 0.003 . 1 . . . . A 235 GLU HA . 30768 1 405 . 1 . 1 31 31 GLU HB2 H 1 2.117 0.003 . 2 . . . . A 235 GLU HB2 . 30768 1 406 . 1 . 1 31 31 GLU HB3 H 1 2.205 0.006 . 2 . . . . A 235 GLU HB3 . 30768 1 407 . 1 . 1 31 31 GLU HG2 H 1 2.279 0.009 . 2 . . . . A 235 GLU HG2 . 30768 1 408 . 1 . 1 31 31 GLU HG3 H 1 2.506 0.008 . 2 . . . . A 235 GLU HG3 . 30768 1 409 . 1 . 1 31 31 GLU C C 13 179.092 0.022 . 1 . . . . A 235 GLU C . 30768 1 410 . 1 . 1 31 31 GLU CA C 13 59.620 0.035 . 1 . . . . A 235 GLU CA . 30768 1 411 . 1 . 1 31 31 GLU CB C 13 29.194 0.037 . 1 . . . . A 235 GLU CB . 30768 1 412 . 1 . 1 31 31 GLU CG C 13 36.259 0.064 . 1 . . . . A 235 GLU CG . 30768 1 413 . 1 . 1 31 31 GLU N N 15 119.744 0.037 . 1 . . . . A 235 GLU N . 30768 1 414 . 1 . 1 32 32 TYR H H 1 7.424 0.008 . 1 . . . . A 236 TYR H . 30768 1 415 . 1 . 1 32 32 TYR HA H 1 4.387 0.010 . 1 . . . . A 236 TYR HA . 30768 1 416 . 1 . 1 32 32 TYR HB2 H 1 3.213 0.006 . 2 . . . . A 236 TYR HB2 . 30768 1 417 . 1 . 1 32 32 TYR HB3 H 1 3.114 0.010 . 2 . . . . A 236 TYR HB3 . 30768 1 418 . 1 . 1 32 32 TYR HD1 H 1 6.824 0.006 . 1 . . . . A 236 TYR HD1 . 30768 1 419 . 1 . 1 32 32 TYR HD2 H 1 6.824 0.006 . 1 . . . . A 236 TYR HD2 . 30768 1 420 . 1 . 1 32 32 TYR HE1 H 1 6.722 0.004 . 1 . . . . A 236 TYR HE1 . 30768 1 421 . 1 . 1 32 32 TYR HE2 H 1 6.722 0.004 . 1 . . . . A 236 TYR HE2 . 30768 1 422 . 1 . 1 32 32 TYR C C 13 177.234 0.011 . 1 . . . . A 236 TYR C . 30768 1 423 . 1 . 1 32 32 TYR CA C 13 60.196 0.043 . 1 . . . . A 236 TYR CA . 30768 1 424 . 1 . 1 32 32 TYR CB C 13 37.350 0.045 . 1 . . . . A 236 TYR CB . 30768 1 425 . 1 . 1 32 32 TYR CD1 C 13 133.936 0.077 . 1 . . . . A 236 TYR CD1 . 30768 1 426 . 1 . 1 32 32 TYR CD2 C 13 133.936 0.077 . 1 . . . . A 236 TYR CD2 . 30768 1 427 . 1 . 1 32 32 TYR CE1 C 13 117.944 0.066 . 1 . . . . A 236 TYR CE1 . 30768 1 428 . 1 . 1 32 32 TYR CE2 C 13 117.944 0.066 . 1 . . . . A 236 TYR CE2 . 30768 1 429 . 1 . 1 32 32 TYR N N 15 122.222 0.079 . 1 . . . . A 236 TYR N . 30768 1 430 . 1 . 1 33 33 VAL H H 1 8.550 0.008 . 1 . . . . A 237 VAL H . 30768 1 431 . 1 . 1 33 33 VAL HA H 1 2.960 0.005 . 1 . . . . A 237 VAL HA . 30768 1 432 . 1 . 1 33 33 VAL HB H 1 2.231 0.008 . 1 . . . . A 237 VAL HB . 30768 1 433 . 1 . 1 33 33 VAL HG11 H 1 0.902 0.008 . 2 . . . . A 237 VAL HG11 . 30768 1 434 . 1 . 1 33 33 VAL HG12 H 1 0.902 0.008 . 2 . . . . A 237 VAL HG12 . 30768 1 435 . 1 . 1 33 33 VAL HG13 H 1 0.902 0.008 . 2 . . . . A 237 VAL HG13 . 30768 1 436 . 1 . 1 33 33 VAL HG21 H 1 1.034 0.006 . 2 . . . . A 237 VAL HG21 . 30768 1 437 . 1 . 1 33 33 VAL HG22 H 1 1.034 0.006 . 2 . . . . A 237 VAL HG22 . 30768 1 438 . 1 . 1 33 33 VAL HG23 H 1 1.034 0.006 . 2 . . . . A 237 VAL HG23 . 30768 1 439 . 1 . 1 33 33 VAL C C 13 177.477 0.017 . 1 . . . . A 237 VAL C . 30768 1 440 . 1 . 1 33 33 VAL CA C 13 66.766 0.031 . 1 . . . . A 237 VAL CA . 30768 1 441 . 1 . 1 33 33 VAL CB C 13 31.616 0.049 . 1 . . . . A 237 VAL CB . 30768 1 442 . 1 . 1 33 33 VAL CG1 C 13 25.105 0.048 . 2 . . . . A 237 VAL CG1 . 30768 1 443 . 1 . 1 33 33 VAL CG2 C 13 22.165 0.043 . 2 . . . . A 237 VAL CG2 . 30768 1 444 . 1 . 1 33 33 VAL N N 15 121.265 0.059 . 1 . . . . A 237 VAL N . 30768 1 445 . 1 . 1 34 34 GLN H H 1 8.365 0.006 . 1 . . . . A 238 GLN H . 30768 1 446 . 1 . 1 34 34 GLN HA H 1 3.963 0.010 . 1 . . . . A 238 GLN HA . 30768 1 447 . 1 . 1 34 34 GLN HB2 H 1 2.246 0.007 . 2 . . . . A 238 GLN HB2 . 30768 1 448 . 1 . 1 34 34 GLN HB3 H 1 2.415 0.013 . 2 . . . . A 238 GLN HB3 . 30768 1 449 . 1 . 1 34 34 GLN HG2 H 1 2.450 0.010 . 2 . . . . A 238 GLN HG2 . 30768 1 450 . 1 . 1 34 34 GLN HG3 H 1 2.500 0.007 . 2 . . . . A 238 GLN HG3 . 30768 1 451 . 1 . 1 34 34 GLN HE21 H 1 6.604 0.005 . 1 . . . . A 238 GLN HE21 . 30768 1 452 . 1 . 1 34 34 GLN HE22 H 1 7.733 0.005 . 1 . . . . A 238 GLN HE22 . 30768 1 453 . 1 . 1 34 34 GLN C C 13 177.439 0.007 . 1 . . . . A 238 GLN C . 30768 1 454 . 1 . 1 34 34 GLN CA C 13 59.637 0.048 . 1 . . . . A 238 GLN CA . 30768 1 455 . 1 . 1 34 34 GLN CB C 13 28.917 0.041 . 1 . . . . A 238 GLN CB . 30768 1 456 . 1 . 1 34 34 GLN CG C 13 33.715 0.044 . 1 . . . . A 238 GLN CG . 30768 1 457 . 1 . 1 34 34 GLN CD C 13 180.236 0.004 . 1 . . . . A 238 GLN CD . 30768 1 458 . 1 . 1 34 34 GLN N N 15 119.374 0.188 . 1 . . . . A 238 GLN N . 30768 1 459 . 1 . 1 34 34 GLN NE2 N 15 112.525 0.013 . 1 . . . . A 238 GLN NE2 . 30768 1 460 . 1 . 1 35 35 GLU H H 1 7.511 0.009 . 1 . . . . A 239 GLU H . 30768 1 461 . 1 . 1 35 35 GLU HA H 1 4.121 0.005 . 1 . . . . A 239 GLU HA . 30768 1 462 . 1 . 1 35 35 GLU HB2 H 1 2.137 0.009 . 1 . . . . A 239 GLU HB2 . 30768 1 463 . 1 . 1 35 35 GLU HB3 H 1 2.137 0.009 . 1 . . . . A 239 GLU HB3 . 30768 1 464 . 1 . 1 35 35 GLU HG2 H 1 2.252 0.008 . 2 . . . . A 239 GLU HG2 . 30768 1 465 . 1 . 1 35 35 GLU HG3 H 1 2.459 0.005 . 2 . . . . A 239 GLU HG3 . 30768 1 466 . 1 . 1 35 35 GLU C C 13 179.376 0.004 . 1 . . . . A 239 GLU C . 30768 1 467 . 1 . 1 35 35 GLU CA C 13 59.626 0.040 . 1 . . . . A 239 GLU CA . 30768 1 468 . 1 . 1 35 35 GLU CB C 13 29.054 0.049 . 1 . . . . A 239 GLU CB . 30768 1 469 . 1 . 1 35 35 GLU CG C 13 36.037 0.018 . 1 . . . . A 239 GLU CG . 30768 1 470 . 1 . 1 35 35 GLU N N 15 118.116 0.087 . 1 . . . . A 239 GLU N . 30768 1 471 . 1 . 1 36 36 ARG H H 1 7.996 0.009 . 1 . . . . A 240 ARG H . 30768 1 472 . 1 . 1 36 36 ARG HA H 1 3.876 0.011 . 1 . . . . A 240 ARG HA . 30768 1 473 . 1 . 1 36 36 ARG HB2 H 1 1.623 0.014 . 1 . . . . A 240 ARG HB2 . 30768 1 474 . 1 . 1 36 36 ARG HB3 H 1 1.623 0.014 . 1 . . . . A 240 ARG HB3 . 30768 1 475 . 1 . 1 36 36 ARG HG2 H 1 1.379 0.006 . 2 . . . . A 240 ARG HG2 . 30768 1 476 . 1 . 1 36 36 ARG HG3 H 1 1.268 0.009 . 2 . . . . A 240 ARG HG3 . 30768 1 477 . 1 . 1 36 36 ARG HD2 H 1 3.071 0.004 . 2 . . . . A 240 ARG HD2 . 30768 1 478 . 1 . 1 36 36 ARG HD3 H 1 2.792 0.006 . 2 . . . . A 240 ARG HD3 . 30768 1 479 . 1 . 1 36 36 ARG HE H 1 7.412 0.007 . 1 . . . . A 240 ARG HE . 30768 1 480 . 1 . 1 36 36 ARG C C 13 179.361 0.024 . 1 . . . . A 240 ARG C . 30768 1 481 . 1 . 1 36 36 ARG CA C 13 59.056 0.024 . 1 . . . . A 240 ARG CA . 30768 1 482 . 1 . 1 36 36 ARG CB C 13 29.558 0.074 . 1 . . . . A 240 ARG CB . 30768 1 483 . 1 . 1 36 36 ARG CG C 13 26.473 0.045 . 1 . . . . A 240 ARG CG . 30768 1 484 . 1 . 1 36 36 ARG CD C 13 42.643 0.046 . 1 . . . . A 240 ARG CD . 30768 1 485 . 1 . 1 36 36 ARG CZ C 13 160.123 0.000 . 1 . . . . A 240 ARG CZ . 30768 1 486 . 1 . 1 36 36 ARG N N 15 118.596 0.028 . 1 . . . . A 240 ARG N . 30768 1 487 . 1 . 1 36 36 ARG NE N 15 83.952 0.009 . 1 . . . . A 240 ARG NE . 30768 1 488 . 1 . 1 37 37 LEU H H 1 8.810 0.006 . 1 . . . . A 241 LEU H . 30768 1 489 . 1 . 1 37 37 LEU HA H 1 3.841 0.009 . 1 . . . . A 241 LEU HA . 30768 1 490 . 1 . 1 37 37 LEU HB2 H 1 1.949 0.010 . 2 . . . . A 241 LEU HB2 . 30768 1 491 . 1 . 1 37 37 LEU HB3 H 1 1.245 0.008 . 2 . . . . A 241 LEU HB3 . 30768 1 492 . 1 . 1 37 37 LEU HG H 1 1.774 0.012 . 1 . . . . A 241 LEU HG . 30768 1 493 . 1 . 1 37 37 LEU HD11 H 1 0.608 0.005 . 2 . . . . A 241 LEU HD11 . 30768 1 494 . 1 . 1 37 37 LEU HD12 H 1 0.608 0.005 . 2 . . . . A 241 LEU HD12 . 30768 1 495 . 1 . 1 37 37 LEU HD13 H 1 0.608 0.005 . 2 . . . . A 241 LEU HD13 . 30768 1 496 . 1 . 1 37 37 LEU HD21 H 1 0.708 0.005 . 2 . . . . A 241 LEU HD21 . 30768 1 497 . 1 . 1 37 37 LEU HD22 H 1 0.708 0.005 . 2 . . . . A 241 LEU HD22 . 30768 1 498 . 1 . 1 37 37 LEU HD23 H 1 0.708 0.005 . 2 . . . . A 241 LEU HD23 . 30768 1 499 . 1 . 1 37 37 LEU C C 13 179.817 0.014 . 1 . . . . A 241 LEU C . 30768 1 500 . 1 . 1 37 37 LEU CA C 13 57.961 0.021 . 1 . . . . A 241 LEU CA . 30768 1 501 . 1 . 1 37 37 LEU CB C 13 41.573 0.053 . 1 . . . . A 241 LEU CB . 30768 1 502 . 1 . 1 37 37 LEU CG C 13 26.394 0.062 . 1 . . . . A 241 LEU CG . 30768 1 503 . 1 . 1 37 37 LEU CD1 C 13 23.612 0.050 . 2 . . . . A 241 LEU CD1 . 30768 1 504 . 1 . 1 37 37 LEU CD2 C 13 26.115 0.056 . 2 . . . . A 241 LEU CD2 . 30768 1 505 . 1 . 1 37 37 LEU N N 15 119.266 0.033 . 1 . . . . A 241 LEU N . 30768 1 506 . 1 . 1 38 38 ASP H H 1 8.464 0.006 . 1 . . . . A 242 ASP H . 30768 1 507 . 1 . 1 38 38 ASP HA H 1 4.338 0.004 . 1 . . . . A 242 ASP HA . 30768 1 508 . 1 . 1 38 38 ASP HB2 H 1 2.734 0.006 . 2 . . . . A 242 ASP HB2 . 30768 1 509 . 1 . 1 38 38 ASP HB3 H 1 2.905 0.007 . 2 . . . . A 242 ASP HB3 . 30768 1 510 . 1 . 1 38 38 ASP C C 13 178.452 0.005 . 1 . . . . A 242 ASP C . 30768 1 511 . 1 . 1 38 38 ASP CA C 13 57.927 0.060 . 1 . . . . A 242 ASP CA . 30768 1 512 . 1 . 1 38 38 ASP CB C 13 39.510 0.033 . 1 . . . . A 242 ASP CB . 30768 1 513 . 1 . 1 38 38 ASP N N 15 122.794 0.042 . 1 . . . . A 242 ASP N . 30768 1 514 . 1 . 1 39 39 ARG H H 1 7.990 0.006 . 1 . . . . A 243 ARG H . 30768 1 515 . 1 . 1 39 39 ARG HA H 1 4.155 0.010 . 1 . . . . A 243 ARG HA . 30768 1 516 . 1 . 1 39 39 ARG HB2 H 1 1.986 0.009 . 1 . . . . A 243 ARG HB2 . 30768 1 517 . 1 . 1 39 39 ARG HB3 H 1 1.986 0.009 . 1 . . . . A 243 ARG HB3 . 30768 1 518 . 1 . 1 39 39 ARG HG2 H 1 1.724 0.004 . 2 . . . . A 243 ARG HG2 . 30768 1 519 . 1 . 1 39 39 ARG HG3 H 1 1.813 0.005 . 2 . . . . A 243 ARG HG3 . 30768 1 520 . 1 . 1 39 39 ARG HD2 H 1 3.264 0.002 . 1 . . . . A 243 ARG HD2 . 30768 1 521 . 1 . 1 39 39 ARG HD3 H 1 3.264 0.002 . 1 . . . . A 243 ARG HD3 . 30768 1 522 . 1 . 1 39 39 ARG HE H 1 7.488 0.002 . 1 . . . . A 243 ARG HE . 30768 1 523 . 1 . 1 39 39 ARG C C 13 178.730 0.010 . 1 . . . . A 243 ARG C . 30768 1 524 . 1 . 1 39 39 ARG CA C 13 59.248 0.030 . 1 . . . . A 243 ARG CA . 30768 1 525 . 1 . 1 39 39 ARG CB C 13 30.152 0.046 . 1 . . . . A 243 ARG CB . 30768 1 526 . 1 . 1 39 39 ARG CG C 13 26.849 0.051 . 1 . . . . A 243 ARG CG . 30768 1 527 . 1 . 1 39 39 ARG CD C 13 43.309 0.017 . 1 . . . . A 243 ARG CD . 30768 1 528 . 1 . 1 39 39 ARG CZ C 13 159.735 0.000 . 1 . . . . A 243 ARG CZ . 30768 1 529 . 1 . 1 39 39 ARG N N 15 121.297 0.014 . 1 . . . . A 243 ARG N . 30768 1 530 . 1 . 1 39 39 ARG NE N 15 85.595 0.010 . 1 . . . . A 243 ARG NE . 30768 1 531 . 1 . 1 40 40 ILE H H 1 8.235 0.006 . 1 . . . . A 244 ILE H . 30768 1 532 . 1 . 1 40 40 ILE HA H 1 3.726 0.007 . 1 . . . . A 244 ILE HA . 30768 1 533 . 1 . 1 40 40 ILE HB H 1 1.728 0.008 . 1 . . . . A 244 ILE HB . 30768 1 534 . 1 . 1 40 40 ILE HG12 H 1 1.634 0.007 . 2 . . . . A 244 ILE HG12 . 30768 1 535 . 1 . 1 40 40 ILE HG13 H 1 0.919 0.007 . 2 . . . . A 244 ILE HG13 . 30768 1 536 . 1 . 1 40 40 ILE HG21 H 1 0.615 0.005 . 1 . . . . A 244 ILE HG21 . 30768 1 537 . 1 . 1 40 40 ILE HG22 H 1 0.615 0.005 . 1 . . . . A 244 ILE HG22 . 30768 1 538 . 1 . 1 40 40 ILE HG23 H 1 0.615 0.005 . 1 . . . . A 244 ILE HG23 . 30768 1 539 . 1 . 1 40 40 ILE HD11 H 1 0.644 0.006 . 1 . . . . A 244 ILE HD11 . 30768 1 540 . 1 . 1 40 40 ILE HD12 H 1 0.644 0.006 . 1 . . . . A 244 ILE HD12 . 30768 1 541 . 1 . 1 40 40 ILE HD13 H 1 0.644 0.006 . 1 . . . . A 244 ILE HD13 . 30768 1 542 . 1 . 1 40 40 ILE C C 13 177.786 0.007 . 1 . . . . A 244 ILE C . 30768 1 543 . 1 . 1 40 40 ILE CA C 13 64.855 0.033 . 1 . . . . A 244 ILE CA . 30768 1 544 . 1 . 1 40 40 ILE CB C 13 38.252 0.038 . 1 . . . . A 244 ILE CB . 30768 1 545 . 1 . 1 40 40 ILE CG1 C 13 29.738 0.051 . 1 . . . . A 244 ILE CG1 . 30768 1 546 . 1 . 1 40 40 ILE CG2 C 13 17.621 0.036 . 1 . . . . A 244 ILE CG2 . 30768 1 547 . 1 . 1 40 40 ILE CD1 C 13 14.257 0.051 . 1 . . . . A 244 ILE CD1 . 30768 1 548 . 1 . 1 40 40 ILE N N 15 119.815 0.027 . 1 . . . . A 244 ILE N . 30768 1 549 . 1 . 1 41 41 THR H H 1 8.111 0.006 . 1 . . . . A 245 THR H . 30768 1 550 . 1 . 1 41 41 THR HA H 1 3.778 0.008 . 1 . . . . A 245 THR HA . 30768 1 551 . 1 . 1 41 41 THR HB H 1 4.357 0.006 . 1 . . . . A 245 THR HB . 30768 1 552 . 1 . 1 41 41 THR HG21 H 1 1.299 0.002 . 1 . . . . A 245 THR HG21 . 30768 1 553 . 1 . 1 41 41 THR HG22 H 1 1.299 0.002 . 1 . . . . A 245 THR HG22 . 30768 1 554 . 1 . 1 41 41 THR HG23 H 1 1.299 0.002 . 1 . . . . A 245 THR HG23 . 30768 1 555 . 1 . 1 41 41 THR C C 13 176.033 0.008 . 1 . . . . A 245 THR C . 30768 1 556 . 1 . 1 41 41 THR CA C 13 68.024 0.051 . 1 . . . . A 245 THR CA . 30768 1 557 . 1 . 1 41 41 THR CB C 13 68.732 0.074 . 1 . . . . A 245 THR CB . 30768 1 558 . 1 . 1 41 41 THR CG2 C 13 21.126 0.023 . 1 . . . . A 245 THR CG2 . 30768 1 559 . 1 . 1 41 41 THR N N 15 116.251 0.030 . 1 . . . . A 245 THR N . 30768 1 560 . 1 . 1 42 42 ASP H H 1 7.905 0.005 . 1 . . . . A 246 ASP H . 30768 1 561 . 1 . 1 42 42 ASP HA H 1 4.448 0.006 . 1 . . . . A 246 ASP HA . 30768 1 562 . 1 . 1 42 42 ASP HB2 H 1 2.740 0.006 . 2 . . . . A 246 ASP HB2 . 30768 1 563 . 1 . 1 42 42 ASP HB3 H 1 2.830 0.001 . 2 . . . . A 246 ASP HB3 . 30768 1 564 . 1 . 1 42 42 ASP C C 13 178.797 0.020 . 1 . . . . A 246 ASP C . 30768 1 565 . 1 . 1 42 42 ASP CA C 13 57.782 0.027 . 1 . . . . A 246 ASP CA . 30768 1 566 . 1 . 1 42 42 ASP CB C 13 41.217 0.045 . 1 . . . . A 246 ASP CB . 30768 1 567 . 1 . 1 42 42 ASP N N 15 121.939 0.044 . 1 . . . . A 246 ASP N . 30768 1 568 . 1 . 1 43 43 ASP H H 1 8.347 0.006 . 1 . . . . A 247 ASP H . 30768 1 569 . 1 . 1 43 43 ASP HA H 1 4.494 0.017 . 1 . . . . A 247 ASP HA . 30768 1 570 . 1 . 1 43 43 ASP HB2 H 1 2.815 0.008 . 2 . . . . A 247 ASP HB2 . 30768 1 571 . 1 . 1 43 43 ASP HB3 H 1 2.556 0.009 . 2 . . . . A 247 ASP HB3 . 30768 1 572 . 1 . 1 43 43 ASP C C 13 179.562 0.001 . 1 . . . . A 247 ASP C . 30768 1 573 . 1 . 1 43 43 ASP CA C 13 57.429 0.040 . 1 . . . . A 247 ASP CA . 30768 1 574 . 1 . 1 43 43 ASP CB C 13 40.194 0.056 . 1 . . . . A 247 ASP CB . 30768 1 575 . 1 . 1 43 43 ASP N N 15 120.340 0.033 . 1 . . . . A 247 ASP N . 30768 1 576 . 1 . 1 44 44 PHE H H 1 8.846 0.006 . 1 . . . . A 248 PHE H . 30768 1 577 . 1 . 1 44 44 PHE HA H 1 4.261 0.005 . 1 . . . . A 248 PHE HA . 30768 1 578 . 1 . 1 44 44 PHE HB2 H 1 3.332 0.006 . 2 . . . . A 248 PHE HB2 . 30768 1 579 . 1 . 1 44 44 PHE HB3 H 1 3.438 0.012 . 2 . . . . A 248 PHE HB3 . 30768 1 580 . 1 . 1 44 44 PHE HD1 H 1 7.148 0.016 . 1 . . . . A 248 PHE HD1 . 30768 1 581 . 1 . 1 44 44 PHE HD2 H 1 7.148 0.016 . 1 . . . . A 248 PHE HD2 . 30768 1 582 . 1 . 1 44 44 PHE HE1 H 1 7.193 0.011 . 1 . . . . A 248 PHE HE1 . 30768 1 583 . 1 . 1 44 44 PHE HE2 H 1 7.193 0.011 . 1 . . . . A 248 PHE HE2 . 30768 1 584 . 1 . 1 44 44 PHE HZ H 1 7.083 0.012 . 1 . . . . A 248 PHE HZ . 30768 1 585 . 1 . 1 44 44 PHE C C 13 177.428 0.002 . 1 . . . . A 248 PHE C . 30768 1 586 . 1 . 1 44 44 PHE CA C 13 61.364 0.022 . 1 . . . . A 248 PHE CA . 30768 1 587 . 1 . 1 44 44 PHE CB C 13 38.554 0.019 . 1 . . . . A 248 PHE CB . 30768 1 588 . 1 . 1 44 44 PHE CD1 C 13 131.742 0.066 . 1 . . . . A 248 PHE CD1 . 30768 1 589 . 1 . 1 44 44 PHE CD2 C 13 131.742 0.066 . 1 . . . . A 248 PHE CD2 . 30768 1 590 . 1 . 1 44 44 PHE CE1 C 13 131.045 0.072 . 1 . . . . A 248 PHE CE1 . 30768 1 591 . 1 . 1 44 44 PHE CE2 C 13 131.045 0.072 . 1 . . . . A 248 PHE CE2 . 30768 1 592 . 1 . 1 44 44 PHE CZ C 13 129.283 0.065 . 1 . . . . A 248 PHE CZ . 30768 1 593 . 1 . 1 44 44 PHE N N 15 122.489 0.038 . 1 . . . . A 248 PHE N . 30768 1 594 . 1 . 1 45 45 VAL H H 1 8.403 0.004 . 1 . . . . A 249 VAL H . 30768 1 595 . 1 . 1 45 45 VAL HA H 1 3.477 0.003 . 1 . . . . A 249 VAL HA . 30768 1 596 . 1 . 1 45 45 VAL HB H 1 2.335 0.006 . 1 . . . . A 249 VAL HB . 30768 1 597 . 1 . 1 45 45 VAL HG11 H 1 1.226 0.002 . 2 . . . . A 249 VAL HG11 . 30768 1 598 . 1 . 1 45 45 VAL HG12 H 1 1.226 0.002 . 2 . . . . A 249 VAL HG12 . 30768 1 599 . 1 . 1 45 45 VAL HG13 H 1 1.226 0.002 . 2 . . . . A 249 VAL HG13 . 30768 1 600 . 1 . 1 45 45 VAL HG21 H 1 1.010 0.004 . 2 . . . . A 249 VAL HG21 . 30768 1 601 . 1 . 1 45 45 VAL HG22 H 1 1.010 0.004 . 2 . . . . A 249 VAL HG22 . 30768 1 602 . 1 . 1 45 45 VAL HG23 H 1 1.010 0.004 . 2 . . . . A 249 VAL HG23 . 30768 1 603 . 1 . 1 45 45 VAL C C 13 178.708 0.027 . 1 . . . . A 249 VAL C . 30768 1 604 . 1 . 1 45 45 VAL CA C 13 67.340 0.039 . 1 . . . . A 249 VAL CA . 30768 1 605 . 1 . 1 45 45 VAL CB C 13 31.623 0.043 . 1 . . . . A 249 VAL CB . 30768 1 606 . 1 . 1 45 45 VAL CG1 C 13 22.998 0.023 . 2 . . . . A 249 VAL CG1 . 30768 1 607 . 1 . 1 45 45 VAL CG2 C 13 21.411 0.043 . 2 . . . . A 249 VAL CG2 . 30768 1 608 . 1 . 1 45 45 VAL N N 15 120.707 0.021 . 1 . . . . A 249 VAL N . 30768 1 609 . 1 . 1 46 46 LYS H H 1 7.655 0.005 . 1 . . . . A 250 LYS H . 30768 1 610 . 1 . 1 46 46 LYS HA H 1 4.143 0.005 . 1 . . . . A 250 LYS HA . 30768 1 611 . 1 . 1 46 46 LYS HB2 H 1 1.968 0.007 . 1 . . . . A 250 LYS HB2 . 30768 1 612 . 1 . 1 46 46 LYS HB3 H 1 1.968 0.007 . 1 . . . . A 250 LYS HB3 . 30768 1 613 . 1 . 1 46 46 LYS HG2 H 1 1.534 0.004 . 2 . . . . A 250 LYS HG2 . 30768 1 614 . 1 . 1 46 46 LYS HG3 H 1 1.659 0.005 . 2 . . . . A 250 LYS HG3 . 30768 1 615 . 1 . 1 46 46 LYS HD2 H 1 1.739 0.008 . 1 . . . . A 250 LYS HD2 . 30768 1 616 . 1 . 1 46 46 LYS HD3 H 1 1.739 0.008 . 1 . . . . A 250 LYS HD3 . 30768 1 617 . 1 . 1 46 46 LYS HE2 H 1 3.021 0.008 . 1 . . . . A 250 LYS HE2 . 30768 1 618 . 1 . 1 46 46 LYS HE3 H 1 3.021 0.008 . 1 . . . . A 250 LYS HE3 . 30768 1 619 . 1 . 1 46 46 LYS C C 13 179.370 0.001 . 1 . . . . A 250 LYS C . 30768 1 620 . 1 . 1 46 46 LYS CA C 13 59.341 0.018 . 1 . . . . A 250 LYS CA . 30768 1 621 . 1 . 1 46 46 LYS CB C 13 32.155 0.054 . 1 . . . . A 250 LYS CB . 30768 1 622 . 1 . 1 46 46 LYS CG C 13 25.641 0.066 . 1 . . . . A 250 LYS CG . 30768 1 623 . 1 . 1 46 46 LYS CD C 13 29.110 0.042 . 1 . . . . A 250 LYS CD . 30768 1 624 . 1 . 1 46 46 LYS CE C 13 42.369 0.041 . 1 . . . . A 250 LYS CE . 30768 1 625 . 1 . 1 46 46 LYS N N 15 118.988 0.032 . 1 . . . . A 250 LYS N . 30768 1 626 . 1 . 1 47 47 MET H H 1 8.052 0.007 . 1 . . . . A 251 MET H . 30768 1 627 . 1 . 1 47 47 MET HA H 1 4.085 0.004 . 1 . . . . A 251 MET HA . 30768 1 628 . 1 . 1 47 47 MET HB2 H 1 2.194 0.014 . 2 . . . . A 251 MET HB2 . 30768 1 629 . 1 . 1 47 47 MET HB3 H 1 1.974 0.006 . 2 . . . . A 251 MET HB3 . 30768 1 630 . 1 . 1 47 47 MET HG2 H 1 2.206 0.012 . 2 . . . . A 251 MET HG2 . 30768 1 631 . 1 . 1 47 47 MET HG3 H 1 2.316 0.006 . 2 . . . . A 251 MET HG3 . 30768 1 632 . 1 . 1 47 47 MET HE1 H 1 1.671 0.003 . 1 . . . . A 251 MET HE1 . 30768 1 633 . 1 . 1 47 47 MET HE2 H 1 1.671 0.003 . 1 . . . . A 251 MET HE2 . 30768 1 634 . 1 . 1 47 47 MET HE3 H 1 1.671 0.003 . 1 . . . . A 251 MET HE3 . 30768 1 635 . 1 . 1 47 47 MET C C 13 177.844 0.011 . 1 . . . . A 251 MET C . 30768 1 636 . 1 . 1 47 47 MET CA C 13 58.551 0.014 . 1 . . . . A 251 MET CA . 30768 1 637 . 1 . 1 47 47 MET CB C 13 32.561 0.050 . 1 . . . . A 251 MET CB . 30768 1 638 . 1 . 1 47 47 MET CG C 13 32.167 0.071 . 1 . . . . A 251 MET CG . 30768 1 639 . 1 . 1 47 47 MET CE C 13 17.016 0.014 . 1 . . . . A 251 MET CE . 30768 1 640 . 1 . 1 47 47 MET N N 15 120.256 0.091 . 1 . . . . A 251 MET N . 30768 1 641 . 1 . 1 48 48 LYS H H 1 8.502 0.004 . 1 . . . . A 252 LYS H . 30768 1 642 . 1 . 1 48 48 LYS HA H 1 3.770 0.011 . 1 . . . . A 252 LYS HA . 30768 1 643 . 1 . 1 48 48 LYS HB2 H 1 1.895 0.003 . 2 . . . . A 252 LYS HB2 . 30768 1 644 . 1 . 1 48 48 LYS HB3 H 1 1.666 0.003 . 2 . . . . A 252 LYS HB3 . 30768 1 645 . 1 . 1 48 48 LYS HG2 H 1 1.331 0.008 . 2 . . . . A 252 LYS HG2 . 30768 1 646 . 1 . 1 48 48 LYS HG3 H 1 1.417 0.004 . 2 . . . . A 252 LYS HG3 . 30768 1 647 . 1 . 1 48 48 LYS HD2 H 1 1.643 0.002 . 2 . . . . A 252 LYS HD2 . 30768 1 648 . 1 . 1 48 48 LYS HD3 H 1 1.682 0.002 . 2 . . . . A 252 LYS HD3 . 30768 1 649 . 1 . 1 48 48 LYS HE2 H 1 2.943 0.006 . 1 . . . . A 252 LYS HE2 . 30768 1 650 . 1 . 1 48 48 LYS HE3 H 1 2.943 0.006 . 1 . . . . A 252 LYS HE3 . 30768 1 651 . 1 . 1 48 48 LYS C C 13 179.166 0.013 . 1 . . . . A 252 LYS C . 30768 1 652 . 1 . 1 48 48 LYS CA C 13 60.574 0.070 . 1 . . . . A 252 LYS CA . 30768 1 653 . 1 . 1 48 48 LYS CB C 13 31.729 0.021 . 1 . . . . A 252 LYS CB . 30768 1 654 . 1 . 1 48 48 LYS CG C 13 25.309 0.034 . 1 . . . . A 252 LYS CG . 30768 1 655 . 1 . 1 48 48 LYS CD C 13 29.503 0.031 . 1 . . . . A 252 LYS CD . 30768 1 656 . 1 . 1 48 48 LYS CE C 13 41.916 0.031 . 1 . . . . A 252 LYS CE . 30768 1 657 . 1 . 1 48 48 LYS N N 15 121.036 0.024 . 1 . . . . A 252 LYS N . 30768 1 658 . 1 . 1 49 49 ASP H H 1 7.993 0.005 . 1 . . . . A 253 ASP H . 30768 1 659 . 1 . 1 49 49 ASP HA H 1 4.488 0.009 . 1 . . . . A 253 ASP HA . 30768 1 660 . 1 . 1 49 49 ASP HB2 H 1 2.818 0.008 . 2 . . . . A 253 ASP HB2 . 30768 1 661 . 1 . 1 49 49 ASP HB3 H 1 2.739 0.004 . 2 . . . . A 253 ASP HB3 . 30768 1 662 . 1 . 1 49 49 ASP C C 13 179.118 0.006 . 1 . . . . A 253 ASP C . 30768 1 663 . 1 . 1 49 49 ASP CA C 13 57.576 0.042 . 1 . . . . A 253 ASP CA . 30768 1 664 . 1 . 1 49 49 ASP CB C 13 40.424 0.031 . 1 . . . . A 253 ASP CB . 30768 1 665 . 1 . 1 49 49 ASP N N 15 120.401 0.028 . 1 . . . . A 253 ASP N . 30768 1 666 . 1 . 1 50 50 ASN H H 1 8.182 0.006 . 1 . . . . A 254 ASN H . 30768 1 667 . 1 . 1 50 50 ASN HA H 1 4.525 0.010 . 1 . . . . A 254 ASN HA . 30768 1 668 . 1 . 1 50 50 ASN HB2 H 1 2.892 0.007 . 2 . . . . A 254 ASN HB2 . 30768 1 669 . 1 . 1 50 50 ASN HB3 H 1 2.650 0.012 . 2 . . . . A 254 ASN HB3 . 30768 1 670 . 1 . 1 50 50 ASN HD21 H 1 7.171 0.007 . 1 . . . . A 254 ASN HD21 . 30768 1 671 . 1 . 1 50 50 ASN HD22 H 1 6.929 0.008 . 1 . . . . A 254 ASN HD22 . 30768 1 672 . 1 . 1 50 50 ASN C C 13 178.179 0.008 . 1 . . . . A 254 ASN C . 30768 1 673 . 1 . 1 50 50 ASN CA C 13 55.936 0.054 . 1 . . . . A 254 ASN CA . 30768 1 674 . 1 . 1 50 50 ASN CB C 13 38.145 0.024 . 1 . . . . A 254 ASN CB . 30768 1 675 . 1 . 1 50 50 ASN CG C 13 175.759 0.000 . 1 . . . . A 254 ASN CG . 30768 1 676 . 1 . 1 50 50 ASN N N 15 119.728 0.030 . 1 . . . . A 254 ASN N . 30768 1 677 . 1 . 1 50 50 ASN ND2 N 15 110.723 0.006 . 1 . . . . A 254 ASN ND2 . 30768 1 678 . 1 . 1 51 51 PHE H H 1 8.868 0.005 . 1 . . . . A 255 PHE H . 30768 1 679 . 1 . 1 51 51 PHE HA H 1 4.148 0.011 . 1 . . . . A 255 PHE HA . 30768 1 680 . 1 . 1 51 51 PHE HB2 H 1 3.322 0.005 . 1 . . . . A 255 PHE HB2 . 30768 1 681 . 1 . 1 51 51 PHE HB3 H 1 3.322 0.005 . 1 . . . . A 255 PHE HB3 . 30768 1 682 . 1 . 1 51 51 PHE HD1 H 1 7.147 0.006 . 1 . . . . A 255 PHE HD1 . 30768 1 683 . 1 . 1 51 51 PHE HD2 H 1 7.147 0.006 . 1 . . . . A 255 PHE HD2 . 30768 1 684 . 1 . 1 51 51 PHE HE1 H 1 7.239 0.006 . 1 . . . . A 255 PHE HE1 . 30768 1 685 . 1 . 1 51 51 PHE HE2 H 1 7.239 0.006 . 1 . . . . A 255 PHE HE2 . 30768 1 686 . 1 . 1 51 51 PHE HZ H 1 7.237 0.005 . 1 . . . . A 255 PHE HZ . 30768 1 687 . 1 . 1 51 51 PHE C C 13 176.899 0.008 . 1 . . . . A 255 PHE C . 30768 1 688 . 1 . 1 51 51 PHE CA C 13 61.295 0.040 . 1 . . . . A 255 PHE CA . 30768 1 689 . 1 . 1 51 51 PHE CB C 13 38.543 0.045 . 1 . . . . A 255 PHE CB . 30768 1 690 . 1 . 1 51 51 PHE CD1 C 13 131.472 0.031 . 1 . . . . A 255 PHE CD1 . 30768 1 691 . 1 . 1 51 51 PHE CD2 C 13 131.472 0.031 . 1 . . . . A 255 PHE CD2 . 30768 1 692 . 1 . 1 51 51 PHE CE1 C 13 131.013 0.033 . 1 . . . . A 255 PHE CE1 . 30768 1 693 . 1 . 1 51 51 PHE CE2 C 13 131.013 0.033 . 1 . . . . A 255 PHE CE2 . 30768 1 694 . 1 . 1 51 51 PHE CZ C 13 129.871 0.023 . 1 . . . . A 255 PHE CZ . 30768 1 695 . 1 . 1 51 51 PHE N N 15 121.785 0.042 . 1 . . . . A 255 PHE N . 30768 1 696 . 1 . 1 52 52 GLU H H 1 8.191 0.005 . 1 . . . . A 256 GLU H . 30768 1 697 . 1 . 1 52 52 GLU HA H 1 4.026 0.002 . 1 . . . . A 256 GLU HA . 30768 1 698 . 1 . 1 52 52 GLU HB2 H 1 2.203 0.002 . 2 . . . . A 256 GLU HB2 . 30768 1 699 . 1 . 1 52 52 GLU HB3 H 1 2.244 0.003 . 2 . . . . A 256 GLU HB3 . 30768 1 700 . 1 . 1 52 52 GLU HG2 H 1 2.513 0.005 . 1 . . . . A 256 GLU HG2 . 30768 1 701 . 1 . 1 52 52 GLU HG3 H 1 2.513 0.005 . 1 . . . . A 256 GLU HG3 . 30768 1 702 . 1 . 1 52 52 GLU C C 13 179.833 0.003 . 1 . . . . A 256 GLU C . 30768 1 703 . 1 . 1 52 52 GLU CA C 13 59.275 0.007 . 1 . . . . A 256 GLU CA . 30768 1 704 . 1 . 1 52 52 GLU CB C 13 28.858 0.029 . 1 . . . . A 256 GLU CB . 30768 1 705 . 1 . 1 52 52 GLU CG C 13 35.928 0.028 . 1 . . . . A 256 GLU CG . 30768 1 706 . 1 . 1 52 52 GLU N N 15 119.232 0.026 . 1 . . . . A 256 GLU N . 30768 1 707 . 1 . 1 53 53 THR H H 1 8.108 0.007 . 1 . . . . A 257 THR H . 30768 1 708 . 1 . 1 53 53 THR HA H 1 4.026 0.005 . 1 . . . . A 257 THR HA . 30768 1 709 . 1 . 1 53 53 THR HB H 1 4.371 0.007 . 1 . . . . A 257 THR HB . 30768 1 710 . 1 . 1 53 53 THR HG21 H 1 1.288 0.007 . 1 . . . . A 257 THR HG21 . 30768 1 711 . 1 . 1 53 53 THR HG22 H 1 1.288 0.007 . 1 . . . . A 257 THR HG22 . 30768 1 712 . 1 . 1 53 53 THR HG23 H 1 1.288 0.007 . 1 . . . . A 257 THR HG23 . 30768 1 713 . 1 . 1 53 53 THR C C 13 176.358 0.036 . 1 . . . . A 257 THR C . 30768 1 714 . 1 . 1 53 53 THR CA C 13 66.751 0.032 . 1 . . . . A 257 THR CA . 30768 1 715 . 1 . 1 53 53 THR CB C 13 68.700 0.034 . 1 . . . . A 257 THR CB . 30768 1 716 . 1 . 1 53 53 THR CG2 C 13 21.984 0.039 . 1 . . . . A 257 THR CG2 . 30768 1 717 . 1 . 1 53 53 THR N N 15 117.010 0.021 . 1 . . . . A 257 THR N . 30768 1 718 . 1 . 1 54 54 LEU H H 1 7.892 0.005 . 1 . . . . A 258 LEU H . 30768 1 719 . 1 . 1 54 54 LEU HA H 1 4.056 0.012 . 1 . . . . A 258 LEU HA . 30768 1 720 . 1 . 1 54 54 LEU HB2 H 1 1.826 0.010 . 2 . . . . A 258 LEU HB2 . 30768 1 721 . 1 . 1 54 54 LEU HB3 H 1 1.623 0.006 . 2 . . . . A 258 LEU HB3 . 30768 1 722 . 1 . 1 54 54 LEU HG H 1 1.750 0.007 . 1 . . . . A 258 LEU HG . 30768 1 723 . 1 . 1 54 54 LEU HD11 H 1 0.793 0.008 . 2 . . . . A 258 LEU HD11 . 30768 1 724 . 1 . 1 54 54 LEU HD12 H 1 0.793 0.008 . 2 . . . . A 258 LEU HD12 . 30768 1 725 . 1 . 1 54 54 LEU HD13 H 1 0.793 0.008 . 2 . . . . A 258 LEU HD13 . 30768 1 726 . 1 . 1 54 54 LEU HD21 H 1 0.808 0.005 . 2 . . . . A 258 LEU HD21 . 30768 1 727 . 1 . 1 54 54 LEU HD22 H 1 0.808 0.005 . 2 . . . . A 258 LEU HD22 . 30768 1 728 . 1 . 1 54 54 LEU HD23 H 1 0.808 0.005 . 2 . . . . A 258 LEU HD23 . 30768 1 729 . 1 . 1 54 54 LEU C C 13 178.381 0.008 . 1 . . . . A 258 LEU C . 30768 1 730 . 1 . 1 54 54 LEU CA C 13 58.294 0.038 . 1 . . . . A 258 LEU CA . 30768 1 731 . 1 . 1 54 54 LEU CB C 13 41.810 0.045 . 1 . . . . A 258 LEU CB . 30768 1 732 . 1 . 1 54 54 LEU CG C 13 26.633 0.014 . 1 . . . . A 258 LEU CG . 30768 1 733 . 1 . 1 54 54 LEU CD1 C 13 24.882 0.040 . 2 . . . . A 258 LEU CD1 . 30768 1 734 . 1 . 1 54 54 LEU CD2 C 13 25.608 0.053 . 2 . . . . A 258 LEU CD2 . 30768 1 735 . 1 . 1 54 54 LEU N N 15 122.964 0.067 . 1 . . . . A 258 LEU N . 30768 1 736 . 1 . 1 55 55 ARG H H 1 8.413 0.008 . 1 . . . . A 259 ARG H . 30768 1 737 . 1 . 1 55 55 ARG HA H 1 3.738 0.009 . 1 . . . . A 259 ARG HA . 30768 1 738 . 1 . 1 55 55 ARG HB2 H 1 1.598 0.007 . 2 . . . . A 259 ARG HB2 . 30768 1 739 . 1 . 1 55 55 ARG HB3 H 1 1.895 0.007 . 2 . . . . A 259 ARG HB3 . 30768 1 740 . 1 . 1 55 55 ARG HG2 H 1 1.567 0.003 . 1 . . . . A 259 ARG HG2 . 30768 1 741 . 1 . 1 55 55 ARG HG3 H 1 1.567 0.003 . 1 . . . . A 259 ARG HG3 . 30768 1 742 . 1 . 1 55 55 ARG HD2 H 1 3.167 0.007 . 1 . . . . A 259 ARG HD2 . 30768 1 743 . 1 . 1 55 55 ARG HD3 H 1 3.167 0.007 . 1 . . . . A 259 ARG HD3 . 30768 1 744 . 1 . 1 55 55 ARG HE H 1 7.534 0.003 . 1 . . . . A 259 ARG HE . 30768 1 745 . 1 . 1 55 55 ARG C C 13 179.485 0.008 . 1 . . . . A 259 ARG C . 30768 1 746 . 1 . 1 55 55 ARG CA C 13 60.050 0.048 . 1 . . . . A 259 ARG CA . 30768 1 747 . 1 . 1 55 55 ARG CB C 13 30.199 0.029 . 1 . . . . A 259 ARG CB . 30768 1 748 . 1 . 1 55 55 ARG CG C 13 26.978 0.020 . 1 . . . . A 259 ARG CG . 30768 1 749 . 1 . 1 55 55 ARG CD C 13 43.770 0.032 . 1 . . . . A 259 ARG CD . 30768 1 750 . 1 . 1 55 55 ARG CZ C 13 160.086 0.000 . 1 . . . . A 259 ARG CZ . 30768 1 751 . 1 . 1 55 55 ARG N N 15 118.756 0.019 . 1 . . . . A 259 ARG N . 30768 1 752 . 1 . 1 55 55 ARG NE N 15 84.550 0.012 . 1 . . . . A 259 ARG NE . 30768 1 753 . 1 . 1 56 56 THR H H 1 8.157 0.005 . 1 . . . . A 260 THR H . 30768 1 754 . 1 . 1 56 56 THR HA H 1 3.964 0.007 . 1 . . . . A 260 THR HA . 30768 1 755 . 1 . 1 56 56 THR HB H 1 4.377 0.007 . 1 . . . . A 260 THR HB . 30768 1 756 . 1 . 1 56 56 THR HG21 H 1 1.279 0.004 . 1 . . . . A 260 THR HG21 . 30768 1 757 . 1 . 1 56 56 THR HG22 H 1 1.279 0.004 . 1 . . . . A 260 THR HG22 . 30768 1 758 . 1 . 1 56 56 THR HG23 H 1 1.279 0.004 . 1 . . . . A 260 THR HG23 . 30768 1 759 . 1 . 1 56 56 THR C C 13 176.601 0.014 . 1 . . . . A 260 THR C . 30768 1 760 . 1 . 1 56 56 THR CA C 13 66.771 0.018 . 1 . . . . A 260 THR CA . 30768 1 761 . 1 . 1 56 56 THR CB C 13 68.761 0.041 . 1 . . . . A 260 THR CB . 30768 1 762 . 1 . 1 56 56 THR CG2 C 13 21.855 0.064 . 1 . . . . A 260 THR CG2 . 30768 1 763 . 1 . 1 56 56 THR N N 15 117.538 0.046 . 1 . . . . A 260 THR N . 30768 1 764 . 1 . 1 57 57 GLU H H 1 8.203 0.007 . 1 . . . . A 261 GLU H . 30768 1 765 . 1 . 1 57 57 GLU HA H 1 4.063 0.010 . 1 . . . . A 261 GLU HA . 30768 1 766 . 1 . 1 57 57 GLU HB2 H 1 1.999 0.014 . 2 . . . . A 261 GLU HB2 . 30768 1 767 . 1 . 1 57 57 GLU HB3 H 1 2.215 0.007 . 2 . . . . A 261 GLU HB3 . 30768 1 768 . 1 . 1 57 57 GLU HG2 H 1 2.539 0.011 . 2 . . . . A 261 GLU HG2 . 30768 1 769 . 1 . 1 57 57 GLU HG3 H 1 2.218 0.009 . 2 . . . . A 261 GLU HG3 . 30768 1 770 . 1 . 1 57 57 GLU C C 13 179.923 0.029 . 1 . . . . A 261 GLU C . 30768 1 771 . 1 . 1 57 57 GLU CA C 13 59.858 0.071 . 1 . . . . A 261 GLU CA . 30768 1 772 . 1 . 1 57 57 GLU CB C 13 29.705 0.100 . 1 . . . . A 261 GLU CB . 30768 1 773 . 1 . 1 57 57 GLU CG C 13 36.575 0.056 . 1 . . . . A 261 GLU CG . 30768 1 774 . 1 . 1 57 57 GLU N N 15 122.844 0.092 . 1 . . . . A 261 GLU N . 30768 1 775 . 1 . 1 58 58 LEU H H 1 8.684 0.006 . 1 . . . . A 262 LEU H . 30768 1 776 . 1 . 1 58 58 LEU HA H 1 4.082 0.007 . 1 . . . . A 262 LEU HA . 30768 1 777 . 1 . 1 58 58 LEU HB2 H 1 1.547 0.010 . 2 . . . . A 262 LEU HB2 . 30768 1 778 . 1 . 1 58 58 LEU HB3 H 1 1.868 0.010 . 2 . . . . A 262 LEU HB3 . 30768 1 779 . 1 . 1 58 58 LEU HG H 1 1.613 0.015 . 1 . . . . A 262 LEU HG . 30768 1 780 . 1 . 1 58 58 LEU HD11 H 1 0.838 0.007 . 2 . . . . A 262 LEU HD11 . 30768 1 781 . 1 . 1 58 58 LEU HD12 H 1 0.838 0.007 . 2 . . . . A 262 LEU HD12 . 30768 1 782 . 1 . 1 58 58 LEU HD13 H 1 0.838 0.007 . 2 . . . . A 262 LEU HD13 . 30768 1 783 . 1 . 1 58 58 LEU HD21 H 1 0.862 0.004 . 2 . . . . A 262 LEU HD21 . 30768 1 784 . 1 . 1 58 58 LEU HD22 H 1 0.862 0.004 . 2 . . . . A 262 LEU HD22 . 30768 1 785 . 1 . 1 58 58 LEU HD23 H 1 0.862 0.004 . 2 . . . . A 262 LEU HD23 . 30768 1 786 . 1 . 1 58 58 LEU C C 13 178.455 0.012 . 1 . . . . A 262 LEU C . 30768 1 787 . 1 . 1 58 58 LEU CA C 13 58.013 0.030 . 1 . . . . A 262 LEU CA . 30768 1 788 . 1 . 1 58 58 LEU CB C 13 41.357 0.021 . 1 . . . . A 262 LEU CB . 30768 1 789 . 1 . 1 58 58 LEU CG C 13 27.240 0.091 . 1 . . . . A 262 LEU CG . 30768 1 790 . 1 . 1 58 58 LEU CD1 C 13 24.011 0.031 . 2 . . . . A 262 LEU CD1 . 30768 1 791 . 1 . 1 58 58 LEU CD2 C 13 26.159 0.020 . 2 . . . . A 262 LEU CD2 . 30768 1 792 . 1 . 1 58 58 LEU N N 15 121.322 0.033 . 1 . . . . A 262 LEU N . 30768 1 793 . 1 . 1 59 59 SER H H 1 8.156 0.007 . 1 . . . . A 263 SER H . 30768 1 794 . 1 . 1 59 59 SER HA H 1 4.383 0.006 . 1 . . . . A 263 SER HA . 30768 1 795 . 1 . 1 59 59 SER HB2 H 1 4.039 0.002 . 2 . . . . A 263 SER HB2 . 30768 1 796 . 1 . 1 59 59 SER HB3 H 1 4.073 0.004 . 2 . . . . A 263 SER HB3 . 30768 1 797 . 1 . 1 59 59 SER C C 13 177.362 0.010 . 1 . . . . A 263 SER C . 30768 1 798 . 1 . 1 59 59 SER CA C 13 61.777 0.057 . 1 . . . . A 263 SER CA . 30768 1 799 . 1 . 1 59 59 SER CB C 13 62.789 0.045 . 1 . . . . A 263 SER CB . 30768 1 800 . 1 . 1 59 59 SER N N 15 115.543 0.028 . 1 . . . . A 263 SER N . 30768 1 801 . 1 . 1 60 60 GLU H H 1 8.062 0.008 . 1 . . . . A 264 GLU H . 30768 1 802 . 1 . 1 60 60 GLU HA H 1 4.087 0.006 . 1 . . . . A 264 GLU HA . 30768 1 803 . 1 . 1 60 60 GLU HB2 H 1 2.082 0.007 . 2 . . . . A 264 GLU HB2 . 30768 1 804 . 1 . 1 60 60 GLU HB3 H 1 2.168 0.002 . 2 . . . . A 264 GLU HB3 . 30768 1 805 . 1 . 1 60 60 GLU HG2 H 1 2.443 0.008 . 2 . . . . A 264 GLU HG2 . 30768 1 806 . 1 . 1 60 60 GLU HG3 H 1 2.251 0.005 . 2 . . . . A 264 GLU HG3 . 30768 1 807 . 1 . 1 60 60 GLU C C 13 178.926 0.008 . 1 . . . . A 264 GLU C . 30768 1 808 . 1 . 1 60 60 GLU CA C 13 59.427 0.061 . 1 . . . . A 264 GLU CA . 30768 1 809 . 1 . 1 60 60 GLU CB C 13 29.431 0.017 . 1 . . . . A 264 GLU CB . 30768 1 810 . 1 . 1 60 60 GLU CG C 13 36.408 0.072 . 1 . . . . A 264 GLU CG . 30768 1 811 . 1 . 1 60 60 GLU N N 15 121.653 0.072 . 1 . . . . A 264 GLU N . 30768 1 812 . 1 . 1 61 61 ALA H H 1 7.946 0.005 . 1 . . . . A 265 ALA H . 30768 1 813 . 1 . 1 61 61 ALA HA H 1 4.101 0.008 . 1 . . . . A 265 ALA HA . 30768 1 814 . 1 . 1 61 61 ALA HB1 H 1 1.438 0.007 . 1 . . . . A 265 ALA HB1 . 30768 1 815 . 1 . 1 61 61 ALA HB2 H 1 1.438 0.007 . 1 . . . . A 265 ALA HB2 . 30768 1 816 . 1 . 1 61 61 ALA HB3 H 1 1.438 0.007 . 1 . . . . A 265 ALA HB3 . 30768 1 817 . 1 . 1 61 61 ALA C C 13 179.656 0.008 . 1 . . . . A 265 ALA C . 30768 1 818 . 1 . 1 61 61 ALA CA C 13 55.109 0.032 . 1 . . . . A 265 ALA CA . 30768 1 819 . 1 . 1 61 61 ALA CB C 13 17.451 0.021 . 1 . . . . A 265 ALA CB . 30768 1 820 . 1 . 1 61 61 ALA N N 15 122.353 0.035 . 1 . . . . A 265 ALA N . 30768 1 821 . 1 . 1 62 62 GLN H H 1 8.387 0.005 . 1 . . . . A 266 GLN H . 30768 1 822 . 1 . 1 62 62 GLN HA H 1 4.017 0.003 . 1 . . . . A 266 GLN HA . 30768 1 823 . 1 . 1 62 62 GLN HB2 H 1 2.055 0.006 . 1 . . . . A 266 GLN HB2 . 30768 1 824 . 1 . 1 62 62 GLN HB3 H 1 2.055 0.006 . 1 . . . . A 266 GLN HB3 . 30768 1 825 . 1 . 1 62 62 GLN HG2 H 1 2.271 0.008 . 2 . . . . A 266 GLN HG2 . 30768 1 826 . 1 . 1 62 62 GLN HG3 H 1 2.504 0.005 . 2 . . . . A 266 GLN HG3 . 30768 1 827 . 1 . 1 62 62 GLN HE21 H 1 7.407 0.005 . 1 . . . . A 266 GLN HE21 . 30768 1 828 . 1 . 1 62 62 GLN HE22 H 1 6.903 0.015 . 1 . . . . A 266 GLN HE22 . 30768 1 829 . 1 . 1 62 62 GLN C C 13 178.769 0.014 . 1 . . . . A 266 GLN C . 30768 1 830 . 1 . 1 62 62 GLN CA C 13 58.891 0.031 . 1 . . . . A 266 GLN CA . 30768 1 831 . 1 . 1 62 62 GLN CB C 13 28.958 0.049 . 1 . . . . A 266 GLN CB . 30768 1 832 . 1 . 1 62 62 GLN CG C 13 34.201 0.020 . 1 . . . . A 266 GLN CG . 30768 1 833 . 1 . 1 62 62 GLN CD C 13 179.498 0.000 . 1 . . . . A 266 GLN CD . 30768 1 834 . 1 . 1 62 62 GLN N N 15 115.501 0.025 . 1 . . . . A 266 GLN N . 30768 1 835 . 1 . 1 62 62 GLN NE2 N 15 110.737 0.006 . 1 . . . . A 266 GLN NE2 . 30768 1 836 . 1 . 1 63 63 GLN H H 1 7.897 0.005 . 1 . . . . A 267 GLN H . 30768 1 837 . 1 . 1 63 63 GLN HA H 1 4.073 0.013 . 1 . . . . A 267 GLN HA . 30768 1 838 . 1 . 1 63 63 GLN HB2 H 1 2.204 0.003 . 1 . . . . A 267 GLN HB2 . 30768 1 839 . 1 . 1 63 63 GLN HB3 H 1 2.204 0.003 . 1 . . . . A 267 GLN HB3 . 30768 1 840 . 1 . 1 63 63 GLN HG2 H 1 2.465 0.003 . 2 . . . . A 267 GLN HG2 . 30768 1 841 . 1 . 1 63 63 GLN HG3 H 1 2.532 0.001 . 2 . . . . A 267 GLN HG3 . 30768 1 842 . 1 . 1 63 63 GLN HE21 H 1 6.807 0.004 . 1 . . . . A 267 GLN HE21 . 30768 1 843 . 1 . 1 63 63 GLN HE22 H 1 7.347 0.003 . 1 . . . . A 267 GLN HE22 . 30768 1 844 . 1 . 1 63 63 GLN C C 13 178.193 0.005 . 1 . . . . A 267 GLN C . 30768 1 845 . 1 . 1 63 63 GLN CA C 13 58.503 0.030 . 1 . . . . A 267 GLN CA . 30768 1 846 . 1 . 1 63 63 GLN CB C 13 28.513 0.021 . 1 . . . . A 267 GLN CB . 30768 1 847 . 1 . 1 63 63 GLN CG C 13 33.948 0.008 . 1 . . . . A 267 GLN CG . 30768 1 848 . 1 . 1 63 63 GLN CD C 13 180.284 0.017 . 1 . . . . A 267 GLN CD . 30768 1 849 . 1 . 1 63 63 GLN N N 15 118.295 0.032 . 1 . . . . A 267 GLN N . 30768 1 850 . 1 . 1 63 63 GLN NE2 N 15 111.659 0.004 . 1 . . . . A 267 GLN NE2 . 30768 1 851 . 1 . 1 64 64 LYS H H 1 7.762 0.003 . 1 . . . . A 268 LYS H . 30768 1 852 . 1 . 1 64 64 LYS HA H 1 4.119 0.008 . 1 . . . . A 268 LYS HA . 30768 1 853 . 1 . 1 64 64 LYS HB2 H 1 1.945 0.008 . 1 . . . . A 268 LYS HB2 . 30768 1 854 . 1 . 1 64 64 LYS HB3 H 1 1.945 0.008 . 1 . . . . A 268 LYS HB3 . 30768 1 855 . 1 . 1 64 64 LYS HG2 H 1 1.469 0.009 . 2 . . . . A 268 LYS HG2 . 30768 1 856 . 1 . 1 64 64 LYS HG3 H 1 1.641 0.004 . 2 . . . . A 268 LYS HG3 . 30768 1 857 . 1 . 1 64 64 LYS HD2 H 1 1.703 0.009 . 1 . . . . A 268 LYS HD2 . 30768 1 858 . 1 . 1 64 64 LYS HD3 H 1 1.703 0.009 . 1 . . . . A 268 LYS HD3 . 30768 1 859 . 1 . 1 64 64 LYS HE2 H 1 2.983 0.005 . 1 . . . . A 268 LYS HE2 . 30768 1 860 . 1 . 1 64 64 LYS HE3 H 1 2.983 0.005 . 1 . . . . A 268 LYS HE3 . 30768 1 861 . 1 . 1 64 64 LYS C C 13 178.369 0.010 . 1 . . . . A 268 LYS C . 30768 1 862 . 1 . 1 64 64 LYS CA C 13 58.511 0.015 . 1 . . . . A 268 LYS CA . 30768 1 863 . 1 . 1 64 64 LYS CB C 13 32.834 0.039 . 1 . . . . A 268 LYS CB . 30768 1 864 . 1 . 1 64 64 LYS CG C 13 25.681 0.015 . 1 . . . . A 268 LYS CG . 30768 1 865 . 1 . 1 64 64 LYS CD C 13 29.338 0.045 . 1 . . . . A 268 LYS CD . 30768 1 866 . 1 . 1 64 64 LYS CE C 13 42.339 0.039 . 1 . . . . A 268 LYS CE . 30768 1 867 . 1 . 1 64 64 LYS N N 15 118.912 0.031 . 1 . . . . A 268 LYS N . 30768 1 868 . 1 . 1 65 65 LEU H H 1 7.848 0.004 . 1 . . . . A 269 LEU H . 30768 1 869 . 1 . 1 65 65 LEU HA H 1 4.171 0.003 . 1 . . . . A 269 LEU HA . 30768 1 870 . 1 . 1 65 65 LEU HB2 H 1 1.807 0.006 . 2 . . . . A 269 LEU HB2 . 30768 1 871 . 1 . 1 65 65 LEU HB3 H 1 1.590 0.005 . 2 . . . . A 269 LEU HB3 . 30768 1 872 . 1 . 1 65 65 LEU HG H 1 1.746 0.009 . 1 . . . . A 269 LEU HG . 30768 1 873 . 1 . 1 65 65 LEU HD11 H 1 0.874 0.009 . 2 . . . . A 269 LEU HD11 . 30768 1 874 . 1 . 1 65 65 LEU HD12 H 1 0.874 0.009 . 2 . . . . A 269 LEU HD12 . 30768 1 875 . 1 . 1 65 65 LEU HD13 H 1 0.874 0.009 . 2 . . . . A 269 LEU HD13 . 30768 1 876 . 1 . 1 65 65 LEU HD21 H 1 0.862 0.008 . 2 . . . . A 269 LEU HD21 . 30768 1 877 . 1 . 1 65 65 LEU HD22 H 1 0.862 0.008 . 2 . . . . A 269 LEU HD22 . 30768 1 878 . 1 . 1 65 65 LEU HD23 H 1 0.862 0.008 . 2 . . . . A 269 LEU HD23 . 30768 1 879 . 1 . 1 65 65 LEU C C 13 178.008 0.006 . 1 . . . . A 269 LEU C . 30768 1 880 . 1 . 1 65 65 LEU CA C 13 56.504 0.031 . 1 . . . . A 269 LEU CA . 30768 1 881 . 1 . 1 65 65 LEU CB C 13 42.446 0.021 . 1 . . . . A 269 LEU CB . 30768 1 882 . 1 . 1 65 65 LEU CG C 13 26.954 0.044 . 1 . . . . A 269 LEU CG . 30768 1 883 . 1 . 1 65 65 LEU CD1 C 13 25.316 0.052 . 2 . . . . A 269 LEU CD1 . 30768 1 884 . 1 . 1 65 65 LEU CD2 C 13 23.887 0.035 . 2 . . . . A 269 LEU CD2 . 30768 1 885 . 1 . 1 65 65 LEU N N 15 119.535 0.017 . 1 . . . . A 269 LEU N . 30768 1 886 . 1 . 1 66 66 ARG H H 1 7.771 0.004 . 1 . . . . A 270 ARG H . 30768 1 887 . 1 . 1 66 66 ARG HA H 1 4.235 0.006 . 1 . . . . A 270 ARG HA . 30768 1 888 . 1 . 1 66 66 ARG HB2 H 1 1.856 0.003 . 2 . . . . A 270 ARG HB2 . 30768 1 889 . 1 . 1 66 66 ARG HB3 H 1 1.914 0.001 . 2 . . . . A 270 ARG HB3 . 30768 1 890 . 1 . 1 66 66 ARG HG2 H 1 1.667 0.007 . 2 . . . . A 270 ARG HG2 . 30768 1 891 . 1 . 1 66 66 ARG HG3 H 1 1.752 0.007 . 2 . . . . A 270 ARG HG3 . 30768 1 892 . 1 . 1 66 66 ARG HD2 H 1 3.196 0.002 . 1 . . . . A 270 ARG HD2 . 30768 1 893 . 1 . 1 66 66 ARG HD3 H 1 3.196 0.002 . 1 . . . . A 270 ARG HD3 . 30768 1 894 . 1 . 1 66 66 ARG HE H 1 7.223 0.017 . 1 . . . . A 270 ARG HE . 30768 1 895 . 1 . 1 66 66 ARG C C 13 176.869 0.007 . 1 . . . . A 270 ARG C . 30768 1 896 . 1 . 1 66 66 ARG CA C 13 57.261 0.030 . 1 . . . . A 270 ARG CA . 30768 1 897 . 1 . 1 66 66 ARG CB C 13 30.541 0.011 . 1 . . . . A 270 ARG CB . 30768 1 898 . 1 . 1 66 66 ARG CG C 13 27.508 0.008 . 1 . . . . A 270 ARG CG . 30768 1 899 . 1 . 1 66 66 ARG CD C 13 43.564 0.015 . 1 . . . . A 270 ARG CD . 30768 1 900 . 1 . 1 66 66 ARG CZ C 13 159.696 0.000 . 1 . . . . A 270 ARG CZ . 30768 1 901 . 1 . 1 66 66 ARG N N 15 119.197 0.014 . 1 . . . . A 270 ARG N . 30768 1 902 . 1 . 1 66 66 ARG NE N 15 85.044 0.056 . 1 . . . . A 270 ARG NE . 30768 1 903 . 1 . 1 67 67 ARG H H 1 7.907 0.003 . 1 . . . . A 271 ARG H . 30768 1 904 . 1 . 1 67 67 ARG HA H 1 4.309 0.004 . 1 . . . . A 271 ARG HA . 30768 1 905 . 1 . 1 67 67 ARG HB2 H 1 1.921 0.014 . 2 . . . . A 271 ARG HB2 . 30768 1 906 . 1 . 1 67 67 ARG HB3 H 1 1.851 0.002 . 2 . . . . A 271 ARG HB3 . 30768 1 907 . 1 . 1 67 67 ARG HG2 H 1 1.681 0.001 . 2 . . . . A 271 ARG HG2 . 30768 1 908 . 1 . 1 67 67 ARG HG3 H 1 1.740 0.001 . 2 . . . . A 271 ARG HG3 . 30768 1 909 . 1 . 1 67 67 ARG HD2 H 1 3.223 0.004 . 1 . . . . A 271 ARG HD2 . 30768 1 910 . 1 . 1 67 67 ARG HD3 H 1 3.223 0.004 . 1 . . . . A 271 ARG HD3 . 30768 1 911 . 1 . 1 67 67 ARG HE H 1 7.258 0.007 . 1 . . . . A 271 ARG HE . 30768 1 912 . 1 . 1 67 67 ARG C C 13 176.678 0.012 . 1 . . . . A 271 ARG C . 30768 1 913 . 1 . 1 67 67 ARG CA C 13 56.716 0.018 . 1 . . . . A 271 ARG CA . 30768 1 914 . 1 . 1 67 67 ARG CB C 13 30.631 0.021 . 1 . . . . A 271 ARG CB . 30768 1 915 . 1 . 1 67 67 ARG CG C 13 27.297 0.016 . 1 . . . . A 271 ARG CG . 30768 1 916 . 1 . 1 67 67 ARG CD C 13 43.534 0.008 . 1 . . . . A 271 ARG CD . 30768 1 917 . 1 . 1 67 67 ARG CZ C 13 159.696 0.000 . 1 . . . . A 271 ARG CZ . 30768 1 918 . 1 . 1 67 67 ARG N N 15 120.135 0.015 . 1 . . . . A 271 ARG N . 30768 1 919 . 1 . 1 67 67 ARG NE N 15 85.003 0.031 . 1 . . . . A 271 ARG NE . 30768 1 920 . 1 . 1 68 68 GLN H H 1 8.131 0.007 . 1 . . . . A 272 GLN H . 30768 1 921 . 1 . 1 68 68 GLN HA H 1 4.305 0.003 . 1 . . . . A 272 GLN HA . 30768 1 922 . 1 . 1 68 68 GLN HB2 H 1 2.147 0.003 . 2 . . . . A 272 GLN HB2 . 30768 1 923 . 1 . 1 68 68 GLN HB3 H 1 2.058 0.011 . 2 . . . . A 272 GLN HB3 . 30768 1 924 . 1 . 1 68 68 GLN HG2 H 1 2.408 0.004 . 1 . . . . A 272 GLN HG2 . 30768 1 925 . 1 . 1 68 68 GLN HG3 H 1 2.408 0.004 . 1 . . . . A 272 GLN HG3 . 30768 1 926 . 1 . 1 68 68 GLN HE21 H 1 6.792 0.004 . 1 . . . . A 272 GLN HE21 . 30768 1 927 . 1 . 1 68 68 GLN HE22 H 1 7.508 0.001 . 1 . . . . A 272 GLN HE22 . 30768 1 928 . 1 . 1 68 68 GLN C C 13 175.975 0.006 . 1 . . . . A 272 GLN C . 30768 1 929 . 1 . 1 68 68 GLN CA C 13 56.467 0.037 . 1 . . . . A 272 GLN CA . 30768 1 930 . 1 . 1 68 68 GLN CB C 13 29.360 0.035 . 1 . . . . A 272 GLN CB . 30768 1 931 . 1 . 1 68 68 GLN CG C 13 34.009 0.027 . 1 . . . . A 272 GLN CG . 30768 1 932 . 1 . 1 68 68 GLN CD C 13 180.284 0.000 . 1 . . . . A 272 GLN CD . 30768 1 933 . 1 . 1 68 68 GLN N N 15 120.357 0.015 . 1 . . . . A 272 GLN N . 30768 1 934 . 1 . 1 68 68 GLN NE2 N 15 111.575 0.002 . 1 . . . . A 272 GLN NE2 . 30768 1 935 . 1 . 1 69 69 GLN H H 1 8.183 0.005 . 1 . . . . A 273 GLN H . 30768 1 936 . 1 . 1 69 69 GLN HA H 1 4.369 0.007 . 1 . . . . A 273 GLN HA . 30768 1 937 . 1 . 1 69 69 GLN HB2 H 1 2.025 0.004 . 2 . . . . A 273 GLN HB2 . 30768 1 938 . 1 . 1 69 69 GLN HB3 H 1 2.143 0.006 . 2 . . . . A 273 GLN HB3 . 30768 1 939 . 1 . 1 69 69 GLN HG2 H 1 2.382 0.002 . 1 . . . . A 273 GLN HG2 . 30768 1 940 . 1 . 1 69 69 GLN HG3 H 1 2.382 0.002 . 1 . . . . A 273 GLN HG3 . 30768 1 941 . 1 . 1 69 69 GLN HE21 H 1 6.777 0.003 . 1 . . . . A 273 GLN HE21 . 30768 1 942 . 1 . 1 69 69 GLN HE22 H 1 7.512 0.003 . 1 . . . . A 273 GLN HE22 . 30768 1 943 . 1 . 1 69 69 GLN C C 13 175.466 0.009 . 1 . . . . A 273 GLN C . 30768 1 944 . 1 . 1 69 69 GLN CA C 13 56.016 0.016 . 1 . . . . A 273 GLN CA . 30768 1 945 . 1 . 1 69 69 GLN CB C 13 29.738 0.023 . 1 . . . . A 273 GLN CB . 30768 1 946 . 1 . 1 69 69 GLN CG C 13 33.937 0.009 . 1 . . . . A 273 GLN CG . 30768 1 947 . 1 . 1 69 69 GLN CD C 13 180.621 0.004 . 1 . . . . A 273 GLN CD . 30768 1 948 . 1 . 1 69 69 GLN N N 15 120.151 0.027 . 1 . . . . A 273 GLN N . 30768 1 949 . 1 . 1 69 69 GLN NE2 N 15 111.938 0.008 . 1 . . . . A 273 GLN NE2 . 30768 1 950 . 1 . 1 70 70 ASP H H 1 8.246 0.004 . 1 . . . . A 274 ASP H . 30768 1 951 . 1 . 1 70 70 ASP HA H 1 4.649 0.006 . 1 . . . . A 274 ASP HA . 30768 1 952 . 1 . 1 70 70 ASP HB2 H 1 2.751 0.004 . 2 . . . . A 274 ASP HB2 . 30768 1 953 . 1 . 1 70 70 ASP HB3 H 1 2.612 0.003 . 2 . . . . A 274 ASP HB3 . 30768 1 954 . 1 . 1 70 70 ASP C C 13 175.091 0.008 . 1 . . . . A 274 ASP C . 30768 1 955 . 1 . 1 70 70 ASP CA C 13 54.617 0.016 . 1 . . . . A 274 ASP CA . 30768 1 956 . 1 . 1 70 70 ASP CB C 13 41.337 0.028 . 1 . . . . A 274 ASP CB . 30768 1 957 . 1 . 1 70 70 ASP N N 15 121.628 0.035 . 1 . . . . A 274 ASP N . 30768 1 958 . 1 . 1 71 71 ASN H H 1 7.884 0.004 . 1 . . . . A 275 ASN H . 30768 1 959 . 1 . 1 71 71 ASN HA H 1 4.457 0.005 . 1 . . . . A 275 ASN HA . 30768 1 960 . 1 . 1 71 71 ASN HB2 H 1 2.676 0.004 . 2 . . . . A 275 ASN HB2 . 30768 1 961 . 1 . 1 71 71 ASN HB3 H 1 2.752 0.004 . 2 . . . . A 275 ASN HB3 . 30768 1 962 . 1 . 1 71 71 ASN HD21 H 1 6.727 0.001 . 1 . . . . A 275 ASN HD21 . 30768 1 963 . 1 . 1 71 71 ASN HD22 H 1 7.410 0.002 . 1 . . . . A 275 ASN HD22 . 30768 1 964 . 1 . 1 71 71 ASN C C 13 179.467 0.000 . 1 . . . . A 275 ASN C . 30768 1 965 . 1 . 1 71 71 ASN CA C 13 54.911 0.045 . 1 . . . . A 275 ASN CA . 30768 1 966 . 1 . 1 71 71 ASN CB C 13 40.701 0.038 . 1 . . . . A 275 ASN CB . 30768 1 967 . 1 . 1 71 71 ASN CG C 13 178.467 0.000 . 1 . . . . A 275 ASN CG . 30768 1 968 . 1 . 1 71 71 ASN N N 15 123.766 0.043 . 1 . . . . A 275 ASN N . 30768 1 969 . 1 . 1 71 71 ASN ND2 N 15 112.349 0.006 . 1 . . . . A 275 ASN ND2 . 30768 1 stop_ save_